data_2jql_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 2jql _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 ' 31' ' ' TYR . . . . . 0.45 ' N ' HG21 ' A' ' 51' ' ' THR . 0.5 OUTLIER . . . . . 0 CA--C 1.533 0.301 0 CA-C-O 120.352 0.12 . . . . 0.0 111.049 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 51' ' ' THR . 0.7 OUTLIER -140.32 129.82 24.1 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.747 0.308 . . . . 0.0 110.598 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.0 t -59.67 145.03 46.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.029 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -159.14 -58.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -134.25 171.5 22.17 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.788 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -140.6 164.87 29.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.905 0.383 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 mt -125.78 123.01 37.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.619 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -105.69 121.85 58.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.189 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -89.97 117.27 28.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.789 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -85.35 106.61 16.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.503 HD12 HG22 ' A' ' 41' ' ' ILE . 1.7 mt -124.18 141.15 36.53 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.612 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.496 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 60.8 Cg_endo -74.55 -2.29 12.22 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.233 1.956 . . . . 0.0 112.743 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -127.74 2.34 6.95 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.676 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.96 -164.53 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.752 0.31 . . . . 0.0 110.55 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -153.73 156.17 37.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.785 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -137.23 130.38 30.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -113.2 127.66 56.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.0 t -114.32 150.9 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.016 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -102.32 131.13 49.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.02 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.0 mm -110.79 123.45 66.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.45 HG21 ' N ' ' A' ' 31' ' ' TYR . 0.3 OUTLIER -104.05 168.38 9.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.242 -179.768 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -80.46 60.68 3.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.354 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.585 ' C ' ' H ' ' A' ' 55' ' ' VAL . 4.9 ttt180 -86.41 -0.38 55.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.843 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 1.5 t30 72.07 -35.16 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -178.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.585 ' H ' ' C ' ' A' ' 53' ' ' ARG . 67.5 t -137.14 134.05 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.555 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 80' ' ' PHE . 59.6 m -125.21 131.31 53.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.148 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.423 ' N ' ' HB2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.83 138.65 40.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.925 0.393 . . . . 0.0 111.287 -179.578 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.4 mp -129.42 127.03 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.055 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.11 -141.21 6.66 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.549 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.4 ' HB2' ' CG2' ' A' ' 73' ' ' ILE . 0.7 OUTLIER -101.7 -29.24 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.832 0.348 . . . . 0.0 111.038 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.26 123.43 12.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -27.58 66.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.9 m -69.89 -28.72 65.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.776 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.1 m -55.61 167.71 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.698 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.423 ' HB2' ' N ' ' A' ' 57' ' ' THR . 0.5 OUTLIER -70.97 -58.0 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.006 0.432 . . . . 0.0 110.692 179.807 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.4 t -112.31 120.54 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.078 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.1 pt -102.28 104.95 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.049 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 87.1 mt -67.65 -177.69 0.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.3 m -118.81 41.2 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.17 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.77 134.02 19.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.604 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.12 -13.95 41.6 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.488 2.125 . . . . 0.0 112.731 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -133.03 33.55 3.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.672 0.273 . . . . 0.0 111.19 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.4 ' CG2' ' HB2' ' A' ' 60' ' ' ARG . 5.2 tp -77.8 124.35 36.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.997 0.427 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.6 m -55.69 133.3 50.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.372 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 84.1 m -62.16 -43.72 98.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.716 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.469 ' O ' ' C ' ' A' ' 77' ' ' HIS . 4.5 m-85 -101.6 13.82 33.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.399 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.489 ' CD2' ' CD2' ' A' ' 127' ' ' PHE . 3.0 t60 -17.02 -65.02 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.681 -1.145 . . . . 0.0 112.702 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.416 ' HB3' ' CE2' ' A' ' 127' ' ' PHE . . . -155.98 163.98 39.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.138 0.494 . . . . 0.0 111.881 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -126.65 139.34 53.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.264 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' THR . 2.4 m-85 -119.46 130.34 55.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.725 0.297 . . . . 0.0 111.025 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.44 ' HB2' ' HB3' ' A' ' 96' ' ' ASN . 11.5 m170 -95.08 116.99 29.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.872 0.368 . . . . 0.0 111.137 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.39 109.43 21.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.422 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.1 tt -122.24 140.11 52.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.274 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -128.87 120.96 27.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.692 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.5 ttt -129.78 146.79 51.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -107.11 124.76 50.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.7 p -138.01 134.37 44.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 74.61 -58.38 0.58 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -174.74 -40.25 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.776 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -85.9 -176.41 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.738 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -118.47 127.99 54.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -109.03 118.15 36.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.695 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -107.93 143.24 36.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.197 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.6 mp -129.87 144.37 51.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.559 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.425 HG13 ' CE2' ' A' ' 135' ' ' PHE . 10.6 mm -121.01 137.54 54.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.241 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.44 ' HB3' ' HB2' ' A' ' 81' ' ' HIS . 25.5 t-20 -120.87 134.8 55.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.711 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.421 HG23 ' CZ ' ' A' ' 80' ' ' PHE . 13.4 t -102.2 131.94 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.17 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 31.6 mt -129.67 120.99 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.991 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -109.04 124.45 50.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -16.58 63.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.13 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m 68.47 99.63 0.06 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -168.97 -63.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -85.52 -69.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.254 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 154.29 109.18 0.34 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.464 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 52.3 m -121.8 126.77 49.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.765 0.317 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -118.5 130.09 55.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.001 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.2 tp -122.16 137.37 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.478 0.656 . . . . 0.0 111.219 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 62.25 29.36 17.38 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.79 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.76 13.09 74.98 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.844 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -133.58 152.12 51.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.829 0.347 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -71.07 139.61 50.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.2 tp -87.57 135.85 33.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 11.7 p -121.59 -42.55 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -76.36 162.8 27.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -106.71 30.38 6.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -160.52 63.36 0.32 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -84.11 137.8 33.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.712 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 8.4 tp -98.66 118.05 44.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-O 120.962 0.41 . . . . 0.0 111.446 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.431 HD22 ' CD2' ' A' ' 135' ' ' PHE . 0.8 OUTLIER -103.17 137.58 41.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.966 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.41 178.06 6.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.722 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.457 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 9.1 p30 -56.11 141.02 42.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.183 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.91 51.37 24.46 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.449 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.44 121.67 34.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 111.055 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -81.35 132.46 35.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.719 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.401 ' HB ' ' CE2' ' A' ' 133' ' ' PHE . 1.5 mp -127.6 138.05 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.419 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 22.0 t -123.88 123.95 68.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.887 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.489 ' CD2' ' CD2' ' A' ' 77' ' ' HIS . 3.1 m-85 -111.91 122.97 49.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.12 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 92.71 -70.19 1.63 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.558 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 175.57 -36.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.768 0.318 . . . . 0.0 111.091 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 84.1 p -108.34 -42.61 4.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.345 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 21.7 m -56.35 107.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.36 . . . . 0.0 111.064 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.19 128.23 48.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.811 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.401 ' CE2' ' HB ' ' A' ' 125' ' ' ILE . 13.3 p90 -142.14 155.16 45.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.066 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 11.0 tp -112.08 140.01 47.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.714 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.431 ' CD2' HD22 ' A' ' 119' ' ' LEU . 84.4 t80 -105.29 141.42 36.85 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.872 0.844 . . . . 0.0 111.995 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -154.48 140.73 18.57 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 113.818 -1.537 . . . . 0.0 110.67 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.457 ' CE2' ' HB3' ' A' ' 121' ' ' ASN . 12.8 m-85 -71.89 140.06 49.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.066 0.46 . . . . 0.0 110.615 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.136 179.905 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.412 ' HB2' ' CG2' ' A' ' 51' ' ' THR . 28.2 m-85 . . . . . 0 CA--C 1.535 0.386 0 N-CA-C 110.582 -0.155 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.24 129.82 24.22 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-O 120.76 0.314 . . . . 0.0 110.47 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.99 140.84 56.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.015 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tp -138.04 -45.78 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.803 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -159.78 -174.8 30.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.414 ' CD2' ' HA ' ' A' ' 49' ' ' GLU . 43.1 m80 -143.15 159.84 41.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.957 0.408 . . . . 0.0 110.996 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.28 108.3 10.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.55 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.5 t -99.81 121.82 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.323 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -90.15 131.67 35.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.751 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mp -97.99 106.89 19.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.7 mm -123.43 134.54 25.29 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.986 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -51.21 -25.57 17.76 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.52 2.147 . . . . 0.0 112.669 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.04 -27.2 29.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.611 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.3 tttm 176.32 -168.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.798 0.332 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -131.45 164.89 24.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.729 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.93 118.04 6.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -107.94 124.57 50.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.7 t -120.49 137.59 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.414 ' HA ' ' CD2' ' A' ' 36' ' ' HIS . 4.1 tm-20 -82.04 137.67 35.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.705 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.437 ' O ' HG22 ' A' ' 50' ' ' ILE . 2.3 tt -116.0 132.13 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.075 0.464 . . . . 0.0 111.351 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.412 ' CG2' ' HB2' ' A' ' 31' ' ' TYR . 0.5 OUTLIER -106.96 168.07 9.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.853 -179.77 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -74.28 64.78 1.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.516 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.577 ' C ' ' H ' ' A' ' 55' ' ' VAL . 13.8 ttt180 -80.42 -0.18 36.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.946 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.403 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 54.7 t30 71.81 -35.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -178.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.577 ' H ' ' C ' ' A' ' 53' ' ' ARG . 61.5 t -137.25 137.15 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 80' ' ' PHE . 0.3 OUTLIER -125.25 120.3 30.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.98 179.576 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.6 128.58 50.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.987 0.422 . . . . 0.0 111.243 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.417 ' CD1' ' N ' ' A' ' 58' ' ' ILE . 3.3 mp -115.52 126.1 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 165.74 -133.13 2.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.405 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.432 ' HB2' ' CG2' ' A' ' 73' ' ' ILE . 0.1 OUTLIER -117.43 -28.19 6.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.699 0.285 . . . . 0.0 111.203 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.402 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 0.1 OUTLIER -46.56 125.49 7.09 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.17 -179.742 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -55.38 -27.45 47.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.822 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 m -76.88 -23.41 52.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.201 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 69.4 m -54.13 160.23 1.63 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.723 0.297 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.434 ' HB3' HG23 ' A' ' 56' ' ' THR . 7.7 t0 -74.72 -56.34 4.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.12 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 58' ' ' ILE . 19.6 t -125.08 133.18 70.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.689 -179.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.8 pt -98.83 131.01 46.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.502 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.406 ' O ' ' HB ' ' A' ' 73' ' ' ILE . 0.3 OUTLIER -128.25 133.94 48.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 111.507 -179.519 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.595 ' O ' ' HB2' ' A' ' 70' ' ' GLU . 0.6 OUTLIER 67.52 -69.45 0.14 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.636 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.595 ' HB2' ' O ' ' A' ' 69' ' ' SER . 0.0 OUTLIER 98.73 -64.63 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.718 0 O-C-N 124.258 0.974 . . . . 0.0 112.15 179.415 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.586 ' HD3' ' HB3' ' A' ' 70' ' ' GLU . 35.8 Cg_exo -59.84 -40.06 66.57 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.057 1.838 . . . . 0.0 113.428 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -116.47 32.66 6.0 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.432 ' CG2' ' HB2' ' A' ' 60' ' ' ARG . 4.4 tp -108.97 131.43 59.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.954 0.407 . . . . 0.0 111.382 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 77' ' ' HIS . 66.3 m -78.27 134.09 37.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.182 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.402 ' CG2' ' HB2' ' A' ' 61' ' ' SER . 88.3 m -57.48 -32.77 67.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.781 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 77' ' ' HIS . 1.7 m-85 -112.11 14.05 20.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.417 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.463 ' CD2' ' CD1' ' A' ' 127' ' ' PHE . 12.3 t60 -27.15 -70.99 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.794 -1.094 . . . . 0.0 112.731 -179.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -147.79 164.07 34.77 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -135.75 130.54 34.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.984 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.455 ' CZ ' ' CG1' ' A' ' 97' ' ' VAL . 6.5 m-85 -119.3 131.18 55.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.143 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.403 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 13.9 m-70 -94.85 116.58 28.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.096 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.36 109.77 21.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 15.6 mt -122.12 140.03 53.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.961 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.37 135.6 54.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.819 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -151.99 144.51 24.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.977 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -101.03 128.72 46.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.1 p -139.7 135.13 39.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 t0 60.13 40.96 17.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.3 t30 60.2 31.26 20.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -142.23 158.2 44.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -86.52 127.94 34.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.97 117.66 31.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -110.33 124.19 51.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.996 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.3 mp -129.71 125.74 36.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.759 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.2 mp -112.96 137.19 46.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.226 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.01 125.5 54.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.645 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.455 ' CG1' ' CZ ' ' A' ' 80' ' ' PHE . 21.3 t -95.96 135.02 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.41 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.4 mm -121.01 143.66 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.823 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -105.47 116.76 32.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.011 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -143.69 31.15 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.793 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.422 ' OG ' ' CG ' ' A' ' 77' ' ' HIS . 16.8 m -102.96 161.08 14.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.037 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.85 -29.78 7.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.729 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -74.22 -63.83 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.277 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 167.57 134.58 1.73 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.634 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 90.0 m -132.12 122.96 26.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.614 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -118.56 124.7 48.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.041 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.0 tp -123.1 137.24 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.526 0.679 . . . . 0.0 111.321 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 59.27 27.83 16.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.789 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.63 9.27 69.17 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.814 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -134.07 152.06 51.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.805 0.336 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.37 133.89 47.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.12 141.47 40.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.761 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 15.9 m -154.74 153.55 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.301 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 70.77 6.76 5.97 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.616 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? 46.47 -169.79 0.01 OUTLIER 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.949 0.404 . . . . 0.0 111.344 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.1 t70 52.91 48.03 23.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.284 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -84.1 138.51 33.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.78 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 8.4 tp -98.63 119.24 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.339 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.417 HD21 ' CD2' ' A' ' 135' ' ' PHE . 5.0 tt -103.24 144.71 30.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -132.68 178.05 7.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.754 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 11.6 p-10 -61.01 147.97 41.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 66.83 43.01 92.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -112.92 136.36 52.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.32 . . . . 0.0 110.94 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.84 119.85 33.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.449 ' CG2' ' CZ ' ' A' ' 133' ' ' PHE . 2.3 mt -115.04 132.09 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.062 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 29.5 t -124.02 133.97 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.305 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.463 ' CD1' ' CD2' ' A' ' 77' ' ' HIS . 7.1 m-85 -118.16 142.66 47.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.53 -64.77 0.81 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.527 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 171.74 -37.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.795 0.331 . . . . 0.0 110.983 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 68.9 p -104.08 -43.15 5.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.331 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 79.6 m -53.17 104.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.851 0.358 . . . . 0.0 111.265 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.2 m -124.5 132.33 53.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.918 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.449 ' CZ ' ' CG2' ' A' ' 125' ' ' ILE . 2.6 p90 -142.04 156.23 45.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.218 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 5.9 tp -114.98 134.0 55.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.704 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.417 ' CD2' HD21 ' A' ' 119' ' ' LEU . 93.0 t80 -108.99 141.55 40.93 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 121.991 0.9 . . . . 0.0 111.757 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp -154.57 148.86 26.05 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-N 113.822 -1.535 . . . . 0.0 110.806 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.478 ' CD1' ' N ' ' A' ' 137' ' ' TYR . 1.0 OUTLIER -74.42 139.77 44.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.991 0.425 . . . . 0.0 110.717 179.715 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.173 -179.922 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.25 0 CA-C-O 121.44 0.638 . . . . 0.0 110.74 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.3 131.5 42.74 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.636 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.8 t -59.99 120.62 10.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.004 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.43 -39.79 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.73 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.93 154.0 20.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.379 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.446 ' CE1' ' CB ' ' A' ' 138' ' ' ALA . 28.8 m80 -118.92 161.68 19.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 111.034 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.7 mt -126.64 119.17 26.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.777 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.95 121.95 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.065 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -90.11 133.99 34.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.5 mt -117.48 107.02 13.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.8 mp -123.16 138.92 30.63 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.074 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.11 90.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.512 2.141 . . . . 0.0 112.312 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.49 40.63 4.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 tttt 179.46 176.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 110.935 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -169.43 144.72 3.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -147.72 136.54 21.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -106.85 125.02 50.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.0 t -116.97 118.78 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.056 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.0 138.71 44.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.956 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 31.1 mm -113.93 125.23 71.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -104.61 167.8 9.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.797 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -76.3 63.52 1.94 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.093 0.473 . . . . 0.0 110.659 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.585 ' C ' ' H ' ' A' ' 55' ' ' VAL . 15.7 ttt180 -83.87 2.25 39.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.605 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 71.66 -36.87 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -179.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.585 ' H ' ' C ' ' A' ' 53' ' ' ARG . 67.0 t -137.33 138.33 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.095 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 80' ' ' PHE . 37.9 m -125.36 121.67 34.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.923 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.73 123.68 47.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.046 0.45 . . . . 0.0 111.031 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.3 mt -111.86 116.72 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.095 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.29 -149.88 11.07 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.415 ' HB2' ' CG2' ' A' ' 73' ' ' ILE . 0.8 OUTLIER -94.91 -25.73 16.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.655 0.264 . . . . 0.0 111.251 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.14 150.21 0.85 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.88 0.371 . . . . 0.0 111.368 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -39.14 61.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.749 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.07 -14.7 62.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.326 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 15.1 m -52.98 137.06 33.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.751 0.31 . . . . 0.0 111.122 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -61.2 -42.98 99.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.731 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -124.16 125.89 71.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.031 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.3 pt -100.65 127.17 54.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.04 -165.79 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.1 p -136.32 23.45 3.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.495 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -116.44 132.55 23.27 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-O 120.54 0.209 . . . . 0.0 110.838 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.35 -13.52 36.52 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.669 2.246 . . . . 0.0 113.155 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -106.44 29.53 6.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.67 0.271 . . . . 0.0 111.208 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.415 ' CG2' ' HB2' ' A' ' 60' ' ' ARG . 5.4 tp -89.26 126.36 42.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.938 0.399 . . . . 0.0 111.227 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.92 134.06 47.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.233 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 m -60.01 -31.5 69.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.838 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 77' ' ' HIS . 2.2 m-85 -112.05 14.03 20.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.259 0.552 . . . . 0.0 111.467 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.43 ' CE1' ' HB3' ' A' ' 127' ' ' PHE . 2.5 t-160 -24.37 -68.87 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.676 -1.147 . . . . 0.0 112.619 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -150.37 158.28 43.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.098 0.475 . . . . 0.0 111.984 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -130.27 133.38 46.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.272 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.462 ' CZ ' ' CG1' ' A' ' 97' ' ' VAL . 9.6 m-85 -119.31 131.06 55.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.132 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -95.57 116.36 28.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.918 0.389 . . . . 0.0 111.035 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.7 tp -106.51 109.74 21.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.1 mt -122.11 140.02 53.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.956 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -119.94 127.11 52.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.763 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.19 149.5 34.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.813 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -105.23 115.99 31.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.1 m -114.13 132.48 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 t70 74.87 -58.58 0.57 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.053 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -174.55 -39.74 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.88 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -86.52 157.2 19.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.786 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -86.89 129.54 34.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.067 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.37 126.15 53.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.732 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -110.95 124.51 52.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.161 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.6 mp -118.33 145.25 45.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.512 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.7 mp -127.26 141.04 47.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.854 0.359 . . . . 0.0 111.25 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.95 144.09 44.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.607 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.462 ' CG1' ' CZ ' ' A' ' 80' ' ' PHE . 21.2 t -114.29 127.71 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.295 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.5 mt -122.56 122.54 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.748 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -107.62 128.23 54.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.226 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.12 34.82 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.759 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.25 -168.84 2.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.959 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -109.96 -35.54 6.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -81.87 -54.22 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 137.47 150.07 5.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.688 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.428 ' CG2' ' CD1' ' A' ' 127' ' ' PHE . 90.3 m -132.09 139.03 48.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.727 0.298 . . . . 0.0 110.687 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -119.39 138.74 52.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.012 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.0 tp -122.93 137.39 56.57 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 CA-C-O 121.576 0.703 . . . . 0.0 111.224 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 60.85 30.65 19.78 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.63 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.74 12.1 73.97 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.841 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -134.04 146.35 50.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.845 0.355 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.98 131.11 40.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.15 143.76 29.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 17.7 m -112.27 -32.3 2.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -68.01 169.66 9.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.818 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.93 -30.13 7.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -99.97 66.46 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.949 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -84.1 139.25 32.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.708 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.416 ' C ' ' CD1' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -98.66 119.81 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 -179.669 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.2 tt -103.0 142.49 34.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.855 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -132.61 178.1 7.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.804 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.445 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 8.1 p30 -58.07 143.71 42.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.99 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 68.22 49.14 48.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.433 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.6 121.42 37.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.804 0.335 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 28.1 mtm180 -96.27 122.36 39.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.431 HG12 ' CE2' ' A' ' 127' ' ' PHE . 6.0 tt -120.86 137.88 53.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 22.7 t -114.81 124.97 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.295 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.431 ' CE2' HG12 ' A' ' 125' ' ' ILE . 96.9 m-85 -111.46 149.83 30.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.823 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.49 -64.43 0.81 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.528 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.6 -38.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.724 0.297 . . . . 0.0 111.065 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.0 p -113.49 -36.35 4.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.286 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 133' ' ' PHE . 99.6 m -54.88 107.58 0.31 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.172 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 38.2 t -124.1 131.93 53.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.412 ' CZ ' ' HB3' ' A' ' 131' ' ' CYS . 0.8 OUTLIER -132.49 156.01 47.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.987 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.7 tt -125.74 118.6 25.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.509 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -94.45 141.68 28.31 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 122.035 0.921 . . . . 0.0 112.099 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -154.31 149.53 27.01 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 113.821 -1.536 . . . . 0.0 110.672 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.509 ' CD1' ' N ' ' A' ' 137' ' ' TYR . 0.4 OUTLIER -83.81 139.37 32.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.371 . . . . 0.0 110.798 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.446 ' CB ' ' CE1' ' A' ' 36' ' ' HIS . . . . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.429 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 28.2 m-85 . . . . . 0 CA--C 1.534 0.331 0 CA-C-O 120.295 0.093 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.2 128.54 22.59 Favored 'General case' 0 C--O 1.23 0.06 0 CA-C-O 120.693 0.283 . . . . 0.0 110.615 179.705 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.6 t -69.74 145.01 52.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.247 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.31 -57.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.44 163.21 29.51 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.818 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.425 ' CD2' ' HA ' ' A' ' 49' ' ' GLU . 9.4 m80 -130.94 155.46 46.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.84 0.352 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.05 132.77 50.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.54 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.1 t -103.61 129.26 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.395 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -90.0 113.92 25.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.73 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.6 mt -84.39 106.87 16.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.518 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 12.0 mt -124.28 140.35 34.82 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.806 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.518 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 57.8 Cg_endo -73.9 86.3 1.26 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.157 1.905 . . . . 0.0 112.029 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.74 -11.21 3.42 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.502 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -179.21 166.09 1.5 Allowed 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 120.76 0.314 . . . . 0.0 110.805 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.55 154.13 50.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.991 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.86 129.13 31.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -113.11 120.91 42.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.9 t -119.37 140.32 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.425 ' HA ' ' CD2' ' A' ' 36' ' ' HIS . 19.0 pm0 -90.93 134.58 34.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.15 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 31.0 mm -101.68 117.94 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.815 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.429 ' HB ' ' HB2' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -97.08 168.28 10.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.186 -179.722 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -86.23 68.0 10.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.394 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.608 ' C ' ' H ' ' A' ' 55' ' ' VAL . 24.2 ttt-85 -90.98 4.27 52.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.888 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.43 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 1.2 t-20 71.66 -35.92 0.34 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.608 ' H ' ' C ' ' A' ' 53' ' ' ARG . 88.8 t -137.28 139.06 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.39 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.456 ' HB ' ' HB2' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -125.2 130.93 53.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.375 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.69 133.62 48.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.958 0.408 . . . . 0.0 110.872 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.444 ' CD1' ' CE1' ' A' ' 80' ' ' PHE . 27.1 mt -125.98 121.58 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.296 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.64 -137.32 4.15 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.156 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.34 -19.62 12.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.61 0.243 . . . . 0.0 111.117 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.45 151.12 5.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.858 0.361 . . . . 0.0 111.042 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -75.61 -38.34 59.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.95 -19.98 63.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.228 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 40.1 m -53.91 157.24 2.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.412 ' CB ' ' CG2' ' A' ' 56' ' ' THR . 0.7 OUTLIER -74.42 -59.96 2.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.968 0.414 . . . . 0.0 110.894 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.09 129.65 67.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.079 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.4 pt -101.49 106.53 19.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.184 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.408 ' CD1' ' CD1' ' A' ' 73' ' ' ILE . 61.4 mt -65.58 178.95 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.8 p -112.72 67.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.03 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.99 128.15 13.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.602 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.57 -16.73 54.97 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.43 2.087 . . . . 0.0 112.413 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -126.6 33.0 5.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.688 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.408 ' CD1' ' CD1' ' A' ' 68' ' ' LEU . 2.9 tp -74.35 125.97 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.116 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 m -55.72 133.22 50.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.173 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.1 m -62.14 -38.86 90.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.454 ' O ' ' C ' ' A' ' 77' ' ' HIS . 5.5 m-85 -105.76 14.08 28.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.45 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.499 ' CD2' ' CD1' ' A' ' 127' ' ' PHE . 1.8 t60 -19.24 -68.98 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.585 -1.189 . . . . 0.0 112.888 -179.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.432 ' CB ' ' CZ ' ' A' ' 127' ' ' PHE . . . -150.96 164.1 37.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.975 0.417 . . . . 0.0 111.947 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 56' ' ' THR . 8.0 pt-20 -131.12 138.41 49.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.771 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.456 ' HB2' ' HB ' ' A' ' 56' ' ' THR . 10.0 m-85 -119.43 131.33 55.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.953 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.43 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 12.4 m-70 -94.73 116.73 29.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.839 0.352 . . . . 0.0 111.218 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.08 109.36 21.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.691 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.46 140.06 53.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -113.94 129.36 56.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -136.53 147.96 47.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.103 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -103.17 119.65 39.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 m -127.81 115.62 40.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.338 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 55.94 78.45 0.2 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 66.39 -71.57 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.989 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -70.03 177.03 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.713 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.03 127.94 27.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.2 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -102.47 143.96 31.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.625 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -109.82 130.74 55.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.14 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.35 137.89 51.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.624 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.9 mp -121.01 140.39 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 111.28 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.97 144.08 43.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.929 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 11.9 t -117.03 123.02 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.036 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.8 mp -127.28 123.93 62.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.061 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.03 130.74 56.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -149.62 42.92 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 m -123.8 -177.65 3.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -117.49 41.49 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.82 -34.3 5.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.311 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.77 125.29 5.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.445 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.446 ' CG2' ' CE1' ' A' ' 127' ' ' PHE . 56.2 m -132.06 126.1 33.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 111.022 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -121.08 115.01 22.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.797 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.53 137.03 55.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.301 0.572 . . . . 0.0 111.257 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 64.16 29.58 13.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.804 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.65 11.98 73.49 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.903 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -134.0 141.17 47.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.815 0.341 . . . . 0.0 110.979 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -70.22 135.47 49.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.8 tt -83.95 122.61 28.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 17.1 m -115.46 -40.82 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.76 -178.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.789 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.56 -33.42 5.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.035 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.53 72.62 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.075 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -83.98 138.78 32.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.727 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.4 ' O ' ' CG2' ' A' ' 118' ' ' ILE . 8.2 tp -98.66 118.04 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.984 0.421 . . . . 0.0 111.495 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.4 ' CD2' ' N ' ' A' ' 120' ' ' LYS . 3.6 tt -103.17 140.22 37.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.97 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.4 ' N ' ' CD2' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -134.3 176.23 8.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.854 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.43 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 6.4 p-10 -58.8 141.51 52.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.978 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 74.11 53.03 7.25 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.502 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -131.47 134.26 45.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.807 0.337 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -103.46 124.2 48.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.421 ' HB ' ' CE1' ' A' ' 133' ' ' PHE . 3.4 mp -120.87 126.34 75.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.089 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.4 t -109.47 133.85 53.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.499 ' CD1' ' CD2' ' A' ' 77' ' ' HIS . 5.4 m-85 -119.72 130.62 55.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.077 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 85.78 -68.02 3.46 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.424 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 169.96 -33.44 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.742 0.306 . . . . 0.0 110.985 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 5.4 p -106.43 -42.72 4.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.396 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 44.9 m -57.71 104.79 0.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.985 0.422 . . . . 0.0 111.202 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 29.0 t -124.5 125.86 44.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.918 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.421 ' CE1' ' HB ' ' A' ' 125' ' ' ILE . 25.3 p90 -142.09 156.06 45.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.928 0.394 . . . . 0.0 111.206 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 5.6 tt -122.2 124.84 44.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.639 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -92.02 141.41 28.64 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 122.04 0.924 . . . . 0.0 111.831 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.58 153.44 31.41 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 113.774 -1.557 . . . . 0.0 110.665 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 137' ' ' TYR . 1.1 m-30 -78.39 139.84 38.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.065 0.46 . . . . 0.0 110.632 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.167 -179.738 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.406 ' HB2' ' CG2' ' A' ' 51' ' ' THR . 40.9 m-85 . . . . . 0 CA--C 1.534 0.341 0 N-CA-C 110.602 -0.148 . . . . 0.0 110.602 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.403 ' N ' HG22 ' A' ' 51' ' ' THR . 0.1 OUTLIER -140.24 129.88 24.31 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.788 0.328 . . . . 0.0 110.248 179.731 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.03 134.96 57.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.925 0.393 . . . . 0.0 111.199 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.3 tt -132.93 -48.07 0.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.758 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -159.15 -173.38 27.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.516 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -142.79 160.34 40.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.838 0.351 . . . . 0.0 110.881 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.2 119.72 27.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.763 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.2 t -104.39 121.78 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.172 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -90.27 133.01 35.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.804 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.2 mp -106.18 106.67 17.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.833 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.4 mp -124.32 139.02 31.97 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -50.49 -25.15 13.68 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.363 2.042 . . . . 0.0 112.507 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.45 -40.43 7.83 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.644 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.72 163.94 1.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.852 0.358 . . . . 0.0 110.947 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -94.41 174.06 7.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.08 129.65 8.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -107.22 124.94 50.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.6 t -116.86 137.53 50.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -88.27 122.27 31.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.7 tt -113.23 124.51 69.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.994 0.426 . . . . 0.0 111.182 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.406 ' CG2' ' HB2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -97.43 168.23 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.127 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.61 68.21 6.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.115 0.484 . . . . 0.0 110.469 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.614 ' C ' ' H ' ' A' ' 55' ' ' VAL . 19.6 ttt-85 -81.87 5.51 18.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.038 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' ' 53' ' ' ARG . 25.1 m-80 69.67 -35.96 0.33 Allowed 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -178.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.614 ' H ' ' C ' ' A' ' 53' ' ' ARG . 61.1 t -137.5 132.68 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.477 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 80' ' ' PHE . 53.4 m -125.07 127.32 46.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.262 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -104.14 119.68 39.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.025 0.44 . . . . 0.0 111.188 -179.62 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.2 mt -107.84 122.29 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.026 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.84 -139.92 5.43 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.456 -0.878 . . . . 0.0 113.014 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.443 ' HB2' ' CG2' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -106.99 -32.84 7.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.321 . . . . 0.0 111.176 -179.586 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 t -45.68 153.11 0.28 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.327 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -75.3 -34.14 61.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.88 -19.25 62.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.2 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 6.1 m -53.78 141.02 28.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.006 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 57' ' ' THR . 3.3 m-20 -65.26 -53.81 38.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.138 0.494 . . . . 0.0 110.429 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.0 t -109.49 133.09 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.727 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.59 106.55 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.201 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.417 ' CB ' HG12 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -76.75 -152.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.031 179.615 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 1.2 m -39.62 -93.95 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 117.548 0.158 . . . . 0.0 111.285 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' A' ' 69' ' ' SER . 2.1 mm-40 155.99 -67.66 0.0 OUTLIER Pre-proline 0 N--CA 1.469 0.499 0 CA-C-O 120.644 0.259 . . . . 0.0 111.662 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 70' ' ' GLU . 39.8 Cg_endo -67.14 -16.24 48.4 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.555 2.17 . . . . 0.0 113.585 -178.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -137.05 34.99 2.57 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.677 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.443 ' CG2' ' HB2' ' A' ' 60' ' ' ARG . 4.9 tp -117.75 126.01 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-O 120.995 0.426 . . . . 0.0 111.237 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.416 ' HB2' ' CG ' ' A' ' 77' ' ' HIS . 34.7 m -62.25 133.73 55.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.061 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.4 m -54.73 -44.05 73.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.465 ' O ' ' C ' ' A' ' 77' ' ' HIS . 16.2 p90 -110.45 13.68 22.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.231 0.538 . . . . 0.0 111.54 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.465 ' C ' ' O ' ' A' ' 76' ' ' PHE . 1.6 t-160 -13.16 -65.58 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.571 -1.195 . . . . 0.0 113.063 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.415 ' HB1' ' CE1' ' A' ' 127' ' ' PHE . . . -154.19 160.11 41.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.12 0.486 . . . . 0.0 112.039 -179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -122.19 134.86 54.71 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.015 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' THR . 3.2 m-85 -119.52 131.1 55.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.74 0.305 . . . . 0.0 111.24 -179.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.466 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 11.2 m170 -97.16 116.84 30.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 0.0 111.013 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -106.1 109.68 21.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.835 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.1 139.44 53.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.984 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.41 128.09 50.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.808 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -112.66 128.8 56.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -85.32 116.0 23.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.022 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.8 t -136.61 139.05 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.023 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -53.12 157.28 1.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.09 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 69.05 -67.58 0.21 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -136.8 154.79 50.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -82.98 157.43 22.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.834 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -115.9 125.8 53.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -113.55 128.4 56.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.1 mp -123.0 128.37 50.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -118.34 141.05 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.402 ' HB3' ' HB2' ' A' ' 81' ' ' HIS . 15.7 t-20 -113.84 144.09 43.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.789 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 12.7 t -113.25 122.08 66.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.188 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.4 ' CD1' ' NE2' ' A' ' 81' ' ' HIS . 32.9 mt -126.68 121.01 57.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -111.79 133.83 53.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.05 37.21 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.6 m -128.85 176.73 7.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.01 30.7 7.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.47 -28.12 15.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.18 111.28 3.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.446 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.456 ' CG2' ' CE1' ' A' ' 127' ' ' PHE . 85.2 m -118.73 125.6 50.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.401 ' CE2' ' HG3' ' A' ' 111' ' ' ARG . 38.8 m-85 -121.04 114.98 22.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.8 tp -111.54 137.36 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.441 0.638 . . . . 0.0 111.239 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 62.54 26.33 15.65 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.834 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.66 9.64 70.02 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.801 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -134.23 151.53 51.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.884 0.373 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.401 ' HG3' ' CE2' ' A' ' 106' ' ' PHE . 0.9 OUTLIER -69.95 132.54 46.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.76 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -99.97 141.05 33.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.025 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 12.6 p -118.95 -39.54 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -59.89 130.74 48.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.788 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -72.66 -16.86 61.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -120.67 68.68 0.87 Allowed 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -78.88 139.12 38.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.626 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 8.3 tp -98.41 116.44 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-O 121.015 0.436 . . . . 0.0 111.345 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.8 tt -103.19 143.77 32.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.073 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.1 mtmm -135.62 178.13 7.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.72 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.432 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 7.8 p-10 -55.64 137.82 48.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.099 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 77.23 43.01 17.52 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.624 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -114.95 130.47 56.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.45 114.9 29.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.787 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.449 ' CG2' ' CE1' ' A' ' 133' ' ' PHE . 2.9 tt -116.64 137.77 49.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.2 t -116.57 127.61 74.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.196 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.456 ' CE1' ' CG2' ' A' ' 105' ' ' THR . 40.6 m-85 -119.29 130.65 55.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.763 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . 0.485 ' O ' ' HB2' ' A' ' 129' ' ' LYS . . . 86.78 -7.45 79.81 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.741 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 128' ' ' GLY . 4.6 mtpp 74.71 32.16 0.89 Allowed 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.075 0.464 . . . . 0.0 110.358 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 53.2 p -161.49 -43.46 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.94 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 6.8 m -88.01 110.97 21.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 33.4 t -124.17 138.44 54.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.181 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.449 ' CE1' ' CG2' ' A' ' 125' ' ' ILE . 15.5 p90 -142.09 156.16 45.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 8.9 tt -107.88 139.98 41.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.058 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -110.74 141.63 43.79 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.925 0.869 . . . . 0.0 111.596 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -154.56 160.75 41.69 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 113.899 -1.5 . . . . 0.0 110.955 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 121' ' ' ASN . 3.4 m-85 -85.57 139.84 31.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.971 0.415 . . . . 0.0 110.749 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.191 -179.918 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.432 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 88.5 m-85 . . . . . 0 CA--C 1.535 0.376 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.437 ' N ' HG23 ' A' ' 51' ' ' THR . 0.2 OUTLIER -138.24 129.26 27.08 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-O 120.887 0.375 . . . . 0.0 110.37 179.476 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.98 145.08 47.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.071 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -149.28 -45.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.834 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.451 ' HA2' ' HB3' ' A' ' 138' ' ' ALA . . . -143.86 179.53 21.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.499 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.422 ' CE1' ' HB1' ' A' ' 138' ' ' ALA . 47.0 m80 -146.69 157.88 43.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.859 0.361 . . . . 0.0 110.637 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mt -121.63 115.92 23.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.043 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.95 121.74 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.004 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -90.0 116.73 28.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -70.61 106.69 3.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.811 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.411 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 30.8 mm -124.11 138.74 31.25 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.967 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.411 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 89.9 Cg_exo -44.33 -29.26 2.93 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.513 2.142 . . . . 0.0 112.603 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.34 -122.62 3.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.302 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.18 138.52 38.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.854 0.359 . . . . 0.0 111.053 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -89.81 150.01 22.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.64 108.26 17.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HE2' ' CD2' ' A' ' 36' ' ' HIS . 3.6 tmtt? -105.77 126.75 52.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.1 t -119.76 151.08 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.163 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -101.37 133.05 46.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.7 tt -114.53 132.17 64.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 32' ' ' THR . 0.8 OUTLIER -105.7 168.39 9.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.225 -179.565 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -83.67 68.53 9.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.289 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.605 ' C ' ' H ' ' A' ' 55' ' ' VAL . 18.1 ttt180 -88.49 4.77 45.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.062 -179.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 1.2 t-20 71.56 -37.49 0.39 Allowed 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -178.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.605 ' H ' ' C ' ' A' ' 53' ' ' ARG . 68.7 t -137.3 137.83 45.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.581 179.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.45 ' CG2' ' HB3' ' A' ' 65' ' ' ASP . 31.7 m -125.43 129.72 50.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.952 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.69 132.81 49.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.858 0.361 . . . . 0.0 110.571 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.482 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 40.2 mt -116.69 128.37 74.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.698 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 161.62 -135.31 3.87 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.127 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.456 ' HB2' ' CG2' ' A' ' 73' ' ' ILE . 5.2 ttp85 -115.46 -27.28 7.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.65 0.262 . . . . 0.0 110.999 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.37 122.26 3.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.868 0.366 . . . . 0.0 110.925 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -55.02 -27.0 40.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.088 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -75.5 -22.97 56.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.067 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.2 m -54.99 163.1 1.09 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.45 ' HB3' ' CG2' ' A' ' 56' ' ' THR . 9.7 t70 -82.23 -49.44 10.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.022 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' A' ' 58' ' ' ILE . 21.6 t -124.96 133.11 70.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.379 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -101.18 122.3 53.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.727 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.6 mt -82.74 -94.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.78 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.0 t -91.8 -108.39 0.1 Allowed 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.599 ' CB ' ' HD3' ' A' ' 71' ' ' PRO . 1.2 mt-10 168.26 -65.41 0.0 OUTLIER Pre-proline 0 CA--C 1.531 0.224 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 179.097 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.599 ' HD3' ' CB ' ' A' ' 70' ' ' GLU . 35.3 Cg_exo -60.35 -40.0 62.19 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 121.865 1.71 . . . . 0.0 113.075 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -125.5 28.9 6.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.456 ' CG2' ' HB2' ' A' ' 60' ' ' ARG . 7.0 tp -98.25 120.05 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.01 0.433 . . . . 0.0 111.124 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.4 m -59.14 133.49 56.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.215 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.5 m -63.67 -37.09 86.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.681 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.453 ' O ' ' C ' ' A' ' 77' ' ' HIS . 5.5 m-85 -106.22 13.86 28.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.247 0.546 . . . . 0.0 111.329 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.453 ' C ' ' O ' ' A' ' 76' ' ' PHE . 2.7 t-160 -19.93 -70.03 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.616 -1.175 . . . . 0.0 112.92 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.68 164.1 38.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.966 0.413 . . . . 0.0 111.946 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -126.47 134.8 50.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.684 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' THR . 14.4 m-85 -119.45 125.26 48.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.628 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.418 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 8.1 m-70 -94.86 116.26 28.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.919 0.39 . . . . 0.0 111.385 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 tt -106.67 109.43 21.34 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.711 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.27 140.18 52.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.055 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -99.7 124.98 45.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.2 120.62 15.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -107.13 124.22 49.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.035 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.5 m -124.1 139.09 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.066 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 t0 74.51 -59.21 0.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.057 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -174.8 -43.92 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -79.61 138.04 37.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.633 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -82.95 127.68 33.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.076 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -117.19 138.68 51.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.752 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -114.05 131.41 56.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.942 0.401 . . . . 0.0 111.104 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.2 mp -117.5 138.03 52.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.633 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.24 141.33 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.905 0.383 . . . . 0.0 111.328 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.76 132.74 55.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.821 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.3 t -95.87 128.27 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.249 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 22.3 mt -130.12 120.94 50.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.887 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -115.95 133.23 56.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.002 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.36 33.51 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.1 m -118.42 170.68 8.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.96 31.95 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.51 -40.64 7.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.217 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 112.96 109.23 2.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.453 ' CG2' ' CE1' ' A' ' 127' ' ' PHE . 58.6 m -112.98 125.63 54.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.752 0.311 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -120.22 123.49 43.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.2 tp -122.43 137.23 56.67 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 CA-C-O 121.557 0.694 . . . . 0.0 111.339 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 59.84 28.38 17.85 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.846 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.63 11.76 73.17 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.839 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -134.12 136.86 44.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.717 0.294 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.96 142.4 57.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.7 mp -76.95 142.25 40.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 11.3 m -136.53 31.67 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.03 178.83 7.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -108.37 -44.52 4.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.18 74.34 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.768 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.12 139.27 32.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 7.7 tp -98.56 119.17 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.7 tt -103.13 136.17 43.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.153 0.502 . . . . 0.0 111.642 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt -119.28 126.53 51.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.588 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.62 ' HB3' ' HA ' ' A' ' 136' ' ' LYS . 1.1 m120 -50.87 148.05 4.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.239 0.543 . . . . 0.0 111.635 -179.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 135' ' ' PHE . . . 93.2 40.92 4.7 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.748 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -142.48 162.46 35.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.878 0.37 . . . . 0.0 110.939 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.08 123.06 38.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.3 mt -114.85 121.92 67.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.961 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 38.6 t -109.47 124.0 65.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.036 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.453 ' CE1' ' CG2' ' A' ' 105' ' ' THR . 11.1 m-85 -122.19 146.38 47.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.758 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 80.58 -65.95 3.79 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.326 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 170.38 -33.85 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.789 0.328 . . . . 0.0 111.043 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 93.5 p -119.65 -34.94 3.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.493 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 33.3 m -54.37 104.78 0.12 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.994 0.426 . . . . 0.0 111.312 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 68.1 m -124.5 127.32 47.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.868 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -142.22 155.58 45.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.197 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.14 119.57 39.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.529 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.51 ' O ' ' N ' ' A' ' 122' ' ' GLY . 22.9 t80 -91.62 141.44 28.71 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 121.485 0.659 . . . . 0.0 110.376 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.62 ' HA ' ' HB3' ' A' ' 121' ' ' ASN . 0.3 OUTLIER -155.09 153.2 30.52 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.543 -179.317 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 121' ' ' ASN . 86.4 m-85 -70.98 141.0 51.04 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.139 0.495 . . . . 0.0 110.146 178.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.451 ' HB3' ' HA2' ' A' ' 35' ' ' GLY . . . . . . . . 0 C--N 1.318 -0.803 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.233 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 . . . . . 0 CA--C 1.535 0.394 0 N-CA-C 110.758 -0.09 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.23 128.87 22.98 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.773 0.321 . . . . 0.0 110.81 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.41 114.97 6.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.821 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.46 -39.77 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.048 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -153.52 176.13 31.64 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.55 -0.834 . . . . 0.0 112.729 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.421 ' CE1' ' HB2' ' A' ' 138' ' ' ALA . 27.0 m80 -138.54 158.0 45.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.614 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mt -119.98 119.52 33.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.9 121.83 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -90.1 130.09 36.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mt -99.01 106.82 19.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.79 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.0 mp -124.07 132.61 24.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.056 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -57.24 85.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.299 2.0 . . . . 0.0 112.275 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.75 -28.69 1.45 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.553 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.37 149.87 0.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.8 0.333 . . . . 0.0 110.933 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.87 165.05 11.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.62 122.64 14.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.02 131.54 40.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.7 t -119.91 141.25 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.9 123.25 39.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.821 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.2 tt -116.07 132.06 66.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.215 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.03 168.19 10.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.783 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -59.5 -91.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.484 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.571 ' C ' ' H ' ' A' ' 55' ' ' VAL . 10.0 ttt-85 73.86 -4.29 2.3 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 179.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 71.31 -36.02 0.35 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.571 ' H ' ' C ' ' A' ' 53' ' ' ARG . 60.1 t -135.55 142.64 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.723 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 80' ' ' PHE . 89.5 m -125.07 129.49 50.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.71 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.2 OUTLIER -103.96 140.1 38.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.951 0.405 . . . . 0.0 110.802 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.456 HD13 HG22 ' A' ' 58' ' ' ILE . 34.5 mt -130.18 124.75 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.112 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.98 -140.12 5.79 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.414 ' CG ' HG23 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -110.25 -20.43 12.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.673 0.273 . . . . 0.0 111.082 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 t -55.23 154.09 6.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.862 0.363 . . . . 0.0 110.985 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -36.2 61.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.98 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 m -70.01 -21.8 63.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.26 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 4.0 m -52.68 151.9 4.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.072 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 57' ' ' THR . 0.9 OUTLIER -68.97 -55.97 9.27 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.025 0.44 . . . . 0.0 110.754 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.0 t -119.56 127.46 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.067 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.1 pp -92.08 104.86 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.95 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 13.4 mt -56.7 166.6 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.016 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.5 m -94.0 51.13 1.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -130.92 126.2 21.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.607 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.05 -13.87 41.43 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.458 2.106 . . . . 0.0 112.725 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -138.44 45.41 2.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.879 0.371 . . . . 0.0 111.08 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.414 HG23 ' CG ' ' A' ' 60' ' ' ARG . 0.6 OUTLIER -83.46 147.78 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.86 132.13 53.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.004 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.5 m -63.53 -40.45 97.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.809 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.457 ' O ' ' C ' ' A' ' 77' ' ' HIS . 6.7 m-85 -102.01 14.05 33.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.37 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.457 ' C ' ' O ' ' A' ' 76' ' ' PHE . 4.6 t60 -19.34 -69.41 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.745 -1.116 . . . . 0.0 112.792 -179.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -145.31 162.59 36.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.031 0.444 . . . . 0.0 111.816 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.41 122.43 17.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.418 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 56' ' ' THR . 6.1 m-85 -119.27 131.2 55.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.618 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.415 ' CE1' HG21 ' A' ' 55' ' ' VAL . 11.9 m170 -94.69 116.26 28.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.929 0.395 . . . . 0.0 111.424 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.4 ' CD1' ' CD1' ' A' ' 95' ' ' ILE . 10.3 tp -106.62 109.56 21.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.238 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.35 140.09 53.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -98.02 120.93 39.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.69 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.44 121.67 44.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -98.09 115.99 29.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.802 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.8 p -140.08 128.11 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.004 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.96 -165.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.761 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -49.04 -62.3 1.6 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.315 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -82.7 -174.14 5.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -131.86 141.77 49.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.0 140.29 49.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -114.0 149.45 35.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -128.27 136.93 51.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.708 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.573 ' HB ' ' HB3' ' A' ' 119' ' ' LEU . 17.2 mm -118.75 141.2 39.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.225 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.01 144.14 44.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.452 ' CG2' ' HB2' ' A' ' 119' ' ' LEU . 25.9 t -111.76 130.47 65.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.388 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 12.7 mt -130.1 120.83 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.64 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.09 139.05 31.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.976 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -176.1 39.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.36 179.77 6.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 40.5 mtp85 -120.08 28.82 7.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.818 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -149.83 -62.0 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.173 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 166.17 135.73 1.9 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.635 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.404 HG21 ' CD1' ' A' ' 127' ' ' PHE . 90.1 m -125.4 122.88 38.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.749 0.309 . . . . 0.0 110.714 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.405 ' CE2' ' HD3' ' A' ' 111' ' ' ARG . 18.3 m-85 -121.09 117.11 26.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.001 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.8 tp -122.96 137.23 57.14 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 CA-C-O 121.498 0.666 . . . . 0.0 111.25 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 60.33 25.76 15.26 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.67 13.1 74.68 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.86 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -131.75 141.14 49.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.405 ' HD3' ' CE2' ' A' ' 106' ' ' PHE . 1.6 tpt85 -75.15 143.01 43.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.5 130.12 41.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.77 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 6.7 m -141.03 31.26 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -172.23 155.58 3.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -97.24 168.41 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.6 t0 59.97 55.29 3.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.817 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -84.0 139.35 32.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.406 ' O ' ' CG2' ' A' ' 118' ' ' ILE . 8.5 tp -98.34 117.21 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-O 121.045 0.45 . . . . 0.0 110.96 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.573 ' HB3' ' HB ' ' A' ' 95' ' ' ILE . 2.3 tt -103.11 137.28 41.49 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.251 0.548 . . . . 0.0 111.565 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.456 ' N ' ' CD2' ' A' ' 119' ' ' LEU . 0.8 OUTLIER -117.85 126.98 53.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.406 178.721 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.555 ' HB2' ' CE2' ' A' ' 137' ' ' TYR . 2.0 m-80 -53.87 131.5 40.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.618 -179.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 112.82 41.18 1.02 Allowed Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.314 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -139.85 168.61 19.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.8 0.334 . . . . 0.0 110.974 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.89 124.61 42.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.423 HG23 ' CE2' ' A' ' 127' ' ' PHE . 4.1 mt -114.78 122.93 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.974 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 35.0 t -118.42 129.41 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.423 ' CE2' HG23 ' A' ' 125' ' ' ILE . 58.7 m-85 -120.06 128.11 53.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.813 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 83.56 -67.54 3.71 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.285 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 168.27 -31.78 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.825 0.345 . . . . 0.0 111.106 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 18.3 p -98.75 -54.68 2.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.54 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 78.9 m -53.26 102.36 0.05 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.076 0.465 . . . . 0.0 111.641 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.5 m -124.94 114.03 18.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.922 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -142.11 155.54 45.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.859 0.361 . . . . 0.0 111.286 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 2.0 tt -112.27 125.57 54.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.732 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -96.01 140.64 30.46 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 121.797 0.808 . . . . 0.0 111.027 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.495 ' HA ' ' HB3' ' A' ' 121' ' ' ASN . 8.4 tttt -155.22 155.98 34.83 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 114.026 -1.443 . . . . 0.0 111.424 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.555 ' CE2' ' HB2' ' A' ' 121' ' ' ASN . 38.5 m-85 -69.15 141.21 54.65 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.188 0.518 . . . . 0.0 110.491 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.421 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . . . . . . . . 0 C--N 1.316 -0.88 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.197 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 . . . . . 0 CA--C 1.537 0.445 0 CA-C-O 120.202 0.049 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.423 ' N ' HG21 ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.43 138.5 34.77 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-O 120.835 0.35 . . . . 0.0 110.56 179.697 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.2 t -59.86 145.02 47.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.6 -46.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.615 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.574 ' O ' ' HB ' ' A' ' 50' ' ' ILE . . . -164.13 135.08 3.6 Favored Glycine 0 C--O 1.227 -0.294 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.872 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.423 ' CE1' ' HB3' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -108.81 159.46 16.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.114 0.483 . . . . 0.0 111.187 -179.481 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.414 ' CD1' ' HB ' ' A' ' 48' ' ' VAL . 0.2 OUTLIER -127.54 125.13 39.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.433 179.498 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.3 t -101.62 127.96 54.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.333 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -87.86 134.54 33.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.749 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -90.22 106.45 18.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.83 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.539 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 2.1 mp -124.6 141.17 37.15 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.687 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.539 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 56.8 Cg_endo -73.24 -39.29 2.2 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.107 1.871 . . . . 0.0 112.316 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.57 -32.61 67.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.39 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.0 ptpp? 173.5 118.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.786 0.327 . . . . 0.0 110.809 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -56.71 169.92 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -150.24 132.47 15.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.806 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.97 130.44 56.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.018 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.414 ' HB ' ' CD1' ' A' ' 37' ' ' LEU . 25.0 t -118.56 151.08 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.423 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -104.8 127.7 52.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.67 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.574 ' HB ' ' O ' ' A' ' 35' ' ' GLY . 13.6 mm -111.3 125.9 68.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.136 0.493 . . . . 0.0 111.1 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.423 HG21 ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -96.94 168.1 10.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.583 179.872 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -80.27 59.6 3.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.147 0.499 . . . . 0.0 110.223 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.587 ' C ' ' H ' ' A' ' 55' ' ' VAL . 10.1 ttt-85 -80.97 0.15 36.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.813 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.429 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 0.4 OUTLIER 71.88 -34.46 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -178.727 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.587 ' H ' ' C ' ' A' ' 53' ' ' ARG . 71.3 t -137.41 135.17 46.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.762 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 80' ' ' PHE . 51.6 m -125.28 130.38 51.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.021 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.405 ' HB ' ' HA ' ' A' ' 64' ' ' CYS . 0.1 OUTLIER -103.74 120.22 40.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.983 0.42 . . . . 0.0 110.804 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.3 mp -107.92 128.43 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.029 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.75 -143.44 8.2 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.427 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.21 -17.83 12.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.607 0.241 . . . . 0.0 111.264 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.92 159.97 2.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.82 0.343 . . . . 0.0 111.041 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.56 -38.32 29.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -70.0 -21.56 63.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.254 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.405 ' HA ' ' HB ' ' A' ' 57' ' ' THR . 21.7 m -53.64 141.28 26.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.094 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.438 ' HB3' ' CG2' ' A' ' 56' ' ' THR . 62.4 t0 -64.19 -47.93 77.86 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.903 0.382 . . . . 0.0 110.752 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -117.83 133.09 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.243 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.7 pt -106.55 122.45 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.1 mp -70.08 -177.13 1.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.71 34.6 4.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.156 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.12 129.6 25.21 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.682 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.07 -13.98 41.8 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.474 2.116 . . . . 0.0 112.69 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -130.84 41.33 3.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.713 0.292 . . . . 0.0 111.14 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.4 tp -85.01 148.02 5.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.7 t -58.7 131.1 49.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.98 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 74.3 m -64.91 -44.06 90.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.764 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.469 ' O ' ' C ' ' A' ' 77' ' ' HIS . 19.8 m-85 -100.6 13.76 33.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.273 0.558 . . . . 0.0 111.294 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.469 ' C ' ' O ' ' A' ' 76' ' ' PHE . 2.6 t-160 -14.69 -68.29 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.513 -1.221 . . . . 0.0 112.858 -179.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.39 164.02 27.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.969 0.414 . . . . 0.0 111.659 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -120.66 142.49 49.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.52 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' THR . 1.0 OUTLIER -119.53 126.23 50.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.871 -179.756 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.429 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 6.9 m-70 -94.84 116.13 28.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.893 0.378 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.74 109.91 21.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.788 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.3 mt -117.67 137.07 52.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -108.86 125.43 51.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -134.52 125.57 27.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -94.26 115.94 28.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.8 m -122.68 122.85 67.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.03 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 61.21 -173.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.728 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -47.65 -29.28 2.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.221 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -97.93 -173.38 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -131.16 142.14 50.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 48.6 ttp85 -117.04 127.5 54.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.763 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -111.03 138.98 46.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.038 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -132.05 138.96 48.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.419 HD13 ' CE1' ' A' ' 135' ' ' PHE . 2.5 mp -124.9 141.14 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.784 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.78 131.49 56.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.986 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.438 ' CG2' ' CZ ' ' A' ' 80' ' ' PHE . 21.6 t -105.56 130.23 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.156 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.5 mp -128.37 124.92 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -87.75 121.73 30.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.46 -23.04 53.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.039 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m 67.44 84.83 0.15 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.16 -48.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.797 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -118.22 -39.43 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.079 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 135.0 119.75 1.97 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 26.5 m -126.27 123.62 38.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.427 ' CE2' ' HB3' ' A' ' 111' ' ' ARG . 6.1 m-85 -120.94 137.21 54.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.406 HD12 ' ND2' ' A' ' 108' ' ' ASN . 2.8 tp -123.01 137.19 57.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.466 0.651 . . . . 0.0 111.293 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.406 ' ND2' HD12 ' A' ' 107' ' ' ILE . 13.8 m120 64.92 28.09 12.69 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.715 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.62 8.9 68.37 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.94 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -134.11 148.07 50.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.831 0.348 . . . . 0.0 110.959 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.427 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 5.5 ptm180 -66.76 130.69 43.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.8 pp -87.16 137.91 31.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 12.2 p -121.8 -42.85 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -67.23 155.99 37.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -92.59 154.33 18.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.4 t0 60.02 73.19 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.818 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -83.23 137.73 33.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 8.0 tp -98.74 118.31 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.294 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 5.4 tt -103.18 135.62 44.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -122.73 171.03 9.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.431 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 4.8 p-10 -59.53 148.05 34.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.993 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 65.99 38.67 94.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.527 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -112.19 141.88 45.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.817 0.342 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.3 ttm-85 -95.29 127.95 41.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.965 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.407 HG23 ' CZ ' ' A' ' 133' ' ' PHE . 3.3 mp -124.91 138.05 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.1 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.7 t -122.89 123.9 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.426 ' HB3' ' CE1' ' A' ' 77' ' ' HIS . 3.3 m-85 -115.7 112.02 21.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 106.22 -74.04 0.22 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.508 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -178.54 -37.96 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.704 0.287 . . . . 0.0 111.084 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.0 p -115.0 -36.0 4.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.358 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 15.0 m -60.14 107.4 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.93 0.395 . . . . 0.0 111.071 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.7 p -124.19 138.48 54.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.698 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 133' ' ' PHE . 2.3 p90 -142.14 156.09 45.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.956 0.408 . . . . 0.0 111.324 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 8.8 tt -117.09 127.37 54.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.579 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.419 ' CE1' HD13 ' A' ' 95' ' ' ILE . 59.1 t80 -99.25 141.59 31.83 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 122.015 0.912 . . . . 0.0 112.025 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt -154.54 146.73 23.76 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 113.732 -1.576 . . . . 0.0 110.677 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.431 ' CE2' ' HB3' ' A' ' 121' ' ' ASN . 3.7 m-85 -72.59 139.82 47.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.93 0.395 . . . . 0.0 110.908 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.055 -179.95 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 . . . . . 0 CA--C 1.536 0.421 0 N-CA-C 110.632 -0.136 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -140.14 138.82 35.54 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.957 0.408 . . . . 0.0 110.638 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.0 t -71.9 133.26 45.31 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.021 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.17 -43.05 1.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.914 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -154.35 -178.46 28.76 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.511 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.426 ' CD2' ' HA ' ' A' ' 49' ' ' GLU . 22.1 m80 -144.5 154.73 43.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.933 0.396 . . . . 0.0 110.853 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.2 119.42 33.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.723 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.9 t -98.58 122.43 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.084 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -88.18 117.67 27.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.817 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.1 mt -84.81 106.77 16.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.777 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.53 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 4.2 mt -124.11 141.04 36.13 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.53 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 50.5 Cg_endo -72.28 81.07 1.52 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.12 1.88 . . . . 0.0 112.074 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.44 -19.08 1.32 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.39 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.94 169.88 1.94 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.738 0.304 . . . . 0.0 110.58 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -132.79 154.39 50.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 111.197 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -135.92 124.13 23.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -112.97 125.37 54.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.947 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.8 t -120.59 137.08 55.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.426 ' HA ' ' CD2' ' A' ' 36' ' ' HIS . 0.3 OUTLIER -80.81 141.96 34.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -112.61 127.15 69.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.22 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.84 168.13 10.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.924 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -92.39 72.37 5.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.385 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.603 ' C ' ' H ' ' A' ' 55' ' ' VAL . 0.5 OUTLIER -99.37 13.59 32.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.681 -179.711 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.476 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 5.8 m-20 68.56 -30.38 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.134 -0.226 . . . . 0.0 110.546 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.603 ' H ' ' C ' ' A' ' 53' ' ' ARG . 58.1 t -137.44 135.13 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-O 121.026 0.441 . . . . 0.0 111.808 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.416 ' HB ' ' HB2' ' A' ' 80' ' ' PHE . 53.4 m -125.54 130.79 52.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.9 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -105.65 141.34 37.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.087 0.47 . . . . 0.0 111.53 -179.394 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.4 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 4.6 mp -132.27 126.2 55.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.011 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.14 -130.08 2.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.977 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.446 ' HB2' ' CG2' ' A' ' 73' ' ' ILE . 0.1 OUTLIER -112.06 -32.34 6.6 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.727 0.299 . . . . 0.0 111.147 -179.647 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.33 147.17 0.27 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.561 -179.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.6 ttm-85 -72.93 -32.52 65.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.9 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.91 -16.09 58.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.358 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 11.3 m -53.11 151.05 5.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.74 0.305 . . . . 0.0 111.098 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' THR . 2.3 m-20 -68.94 -55.87 9.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.003 0.43 . . . . 0.0 110.781 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 58' ' ' ILE . 21.6 t -124.37 126.26 71.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.351 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.0 pt -98.49 122.55 50.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.925 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.402 ' HB2' HG12 ' A' ' 73' ' ' ILE . 40.1 mt -84.35 -120.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 2.2 m -56.99 -97.26 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 69' ' ' SER . 6.5 mm-40 154.71 -66.95 0.0 OUTLIER Pre-proline 0 N--CA 1.468 0.438 0 C-N-CA 122.426 0.29 . . . . 0.0 111.077 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 70' ' ' GLU . 41.7 Cg_endo -67.51 -18.93 49.2 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.436 2.091 . . . . 0.0 113.41 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -135.88 25.23 3.35 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.446 ' CG2' ' HB2' ' A' ' 60' ' ' ARG . 5.4 tp -104.94 124.74 59.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.077 0.465 . . . . 0.0 111.501 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 77' ' ' HIS . 4.8 m -65.99 137.2 56.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.209 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.1 m -66.43 -39.39 88.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.843 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.421 ' O ' ' C ' ' A' ' 77' ' ' HIS . 6.1 m-85 -97.19 13.89 27.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.191 0.519 . . . . 0.0 111.69 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.443 ' CE1' ' HB3' ' A' ' 127' ' ' PHE . 1.7 t-160 -26.47 -69.01 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.826 -1.079 . . . . 0.0 112.585 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.428 ' CB ' ' CE1' ' A' ' 127' ' ' PHE . . . -155.96 159.39 39.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.191 0.52 . . . . 0.0 112.161 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.41 133.05 50.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.937 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.416 ' HB2' ' HB ' ' A' ' 56' ' ' THR . 7.6 m-85 -119.36 128.41 54.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.808 0.337 . . . . 0.0 111.064 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.476 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 33.8 m-70 -95.03 116.65 28.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.8 tp -106.12 109.59 21.58 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.943 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -122.26 140.02 53.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.009 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.39 120.97 39.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.787 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.03 150.51 44.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -107.11 116.53 32.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.3 m -113.35 120.61 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.028 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.84 -61.53 0.47 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -166.47 -42.53 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.809 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -68.18 -171.06 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.686 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -126.88 127.89 45.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.999 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -112.21 121.65 45.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.804 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.418 ' HB2' ' CE1' ' A' ' 137' ' ' TYR . 6.5 m120 -108.58 130.28 55.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.088 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.2 mp -132.1 136.67 47.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.571 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.42 ' HB ' HD21 ' A' ' 119' ' ' LEU . 4.2 mp -117.77 140.83 39.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.885 0.374 . . . . 0.0 111.372 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.66 124.52 52.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.638 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.402 ' CG2' ' HB2' ' A' ' 119' ' ' LEU . 13.9 t -96.6 135.28 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.929 0.395 . . . . 0.0 111.606 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 11.9 mt -121.82 120.76 62.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.605 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.64 117.72 35.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.05 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -147.58 53.74 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.819 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -139.5 173.77 11.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.62 -23.64 9.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.41 -34.43 48.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.72 0.295 . . . . 0.0 111.493 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 113.82 126.18 4.34 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.556 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.469 ' CG2' ' CE1' ' A' ' 127' ' ' PHE . 66.5 m -132.08 123.16 26.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.777 0.322 . . . . 0.0 110.836 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.416 ' CE2' ' HB3' ' A' ' 111' ' ' ARG . 61.7 m-85 -121.16 124.15 44.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 108' ' ' ASN . 0.7 OUTLIER -122.99 137.07 57.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.441 0.638 . . . . 0.0 111.211 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.446 ' N ' HG13 ' A' ' 107' ' ' ILE . 10.4 m120 60.04 28.42 17.96 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.669 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.67 13.05 74.63 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.9 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -131.57 137.64 48.53 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.866 0.365 . . . . 0.0 110.542 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.416 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -65.28 132.42 49.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.3 tt -89.11 133.88 34.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.981 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 5.7 m -138.24 -46.77 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.62 158.8 9.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.75 158.08 15.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 38.4 t70 59.67 64.06 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -84.07 138.4 33.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.075 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 8.3 tp -98.66 121.78 49.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.42 HD21 ' HB ' ' A' ' 95' ' ' ILE . 6.4 tt -103.15 136.83 42.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.171 0.51 . . . . 0.0 111.8 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -118.68 155.77 30.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.357 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.602 ' HB2' ' CE2' ' A' ' 137' ' ' TYR . 1.7 m-80 -77.09 148.23 36.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.152 0.501 . . . . 0.0 111.542 -178.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 87.63 37.56 7.98 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.476 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.54 164.14 27.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.951 0.405 . . . . 0.0 111.269 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -100.91 127.12 47.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.956 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.423 ' HB ' ' CZ ' ' A' ' 133' ' ' PHE . 3.1 mp -118.4 121.93 68.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 20.5 t -111.56 123.92 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.305 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.469 ' CE1' ' CG2' ' A' ' 105' ' ' THR . 9.8 m-85 -121.09 132.24 54.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.817 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 92.72 -69.96 1.65 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.275 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.2 -34.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.628 0.251 . . . . 0.0 111.311 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 79.1 p -120.77 -38.15 2.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.668 0.27 . . . . 0.0 111.642 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 28.7 m -53.04 105.09 0.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.979 0.419 . . . . 0.0 111.247 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 59.9 p -124.39 135.07 53.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 133' ' ' PHE . 2.4 p90 -142.16 156.07 45.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.913 0.387 . . . . 0.0 111.19 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.96 112.88 23.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.583 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -91.85 140.96 29.17 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 121.637 0.732 . . . . 0.0 111.035 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.468 ' HA ' ' HB3' ' A' ' 121' ' ' ASN . 10.5 mtmt -154.93 157.88 38.42 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.0 -1.454 . . . . 0.0 111.279 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.602 ' CE2' ' HB2' ' A' ' 121' ' ' ASN . 57.2 m-85 -76.28 140.87 41.73 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.187 0.517 . . . . 0.0 110.349 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.778 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.142 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 . . . . . 0 CA--C 1.536 0.436 0 N-CA-C 110.544 -0.169 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -140.26 128.94 23.03 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.825 0.345 . . . . 0.0 110.591 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.68 145.06 53.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 tp -150.81 -46.87 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.834 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -139.05 -179.11 17.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.393 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.436 ' CE1' ' HB2' ' A' ' 138' ' ' ALA . 50.1 m80 -145.04 163.06 35.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.902 0.382 . . . . 0.0 111.02 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 mp -127.13 111.47 14.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.738 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.7 t -95.89 121.77 46.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.993 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -90.09 124.86 35.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -80.65 106.64 12.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.804 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.475 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 2.7 mt -124.15 139.8 33.49 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.795 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 73.7 Cg_endo -76.44 -3.65 14.07 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.358 2.039 . . . . 0.0 112.66 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -113.78 -28.82 3.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.435 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.06 120.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.729 0.299 . . . . 0.0 110.777 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -71.51 154.65 41.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.022 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -129.06 141.16 51.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.773 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -113.13 129.46 56.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.014 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.6 t -122.64 140.9 45.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.939 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.18 137.5 33.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.914 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.3 tt -116.12 132.14 66.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -100.9 166.9 10.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.047 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -85.09 69.2 10.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.018 0.437 . . . . 0.0 110.47 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.626 ' C ' ' H ' ' A' ' 55' ' ' VAL . 18.1 ttt180 -87.08 8.38 23.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.831 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.477 ' HB2' ' O ' ' A' ' 53' ' ' ARG . 13.9 m-80 69.23 -36.79 0.35 Allowed 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 -178.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.626 ' H ' ' C ' ' A' ' 53' ' ' ARG . 78.8 t -137.47 135.35 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.263 179.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 80' ' ' PHE . 96.2 m -125.26 130.11 51.39 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.496 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.413 ' N ' ' HB2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.97 138.71 40.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.864 0.364 . . . . 0.0 111.051 -179.814 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.8 mp -124.22 119.41 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.68 -132.95 2.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.392 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.98 -21.14 7.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.644 0.259 . . . . 0.0 111.432 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.52 154.9 0.85 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.871 0.367 . . . . 0.0 111.154 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -73.97 -42.34 60.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.967 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.3 m -69.95 -17.89 63.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.212 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 21.8 m -55.73 161.82 1.99 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.957 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.413 ' HB2' ' N ' ' A' ' 57' ' ' THR . 0.9 OUTLIER -82.63 -66.63 0.87 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.026 0.441 . . . . 0.0 110.886 179.787 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.2 t -101.7 104.18 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.07 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.9 pp -92.04 116.87 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.25 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.74 164.95 15.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.4 t -104.7 65.36 0.75 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -125.8 133.85 25.31 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.05 -16.14 48.54 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.513 2.142 . . . . 0.0 112.547 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -125.02 27.35 6.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.71 0.29 . . . . 0.0 111.258 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.5 tp -76.26 124.05 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.367 . . . . 0.0 111.048 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.0 m -62.29 132.14 51.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.281 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.6 m -67.5 -43.62 80.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.719 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 77' ' ' HIS . 0.2 OUTLIER -97.49 13.79 28.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.235 179.768 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -20.09 -71.99 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.599 -1.182 . . . . 0.0 112.805 -179.351 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -155.7 164.03 39.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.15 0.5 . . . . 0.0 112.063 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -129.45 133.3 47.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.218 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.467 ' O ' ' N ' ' A' ' 56' ' ' THR . 7.1 m-85 -119.43 131.07 55.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.037 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.421 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 11.0 m-70 -94.83 116.39 28.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.922 0.392 . . . . 0.0 111.129 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.57 109.55 21.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.746 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.07 140.05 52.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.105 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -103.91 138.29 40.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.5 ttt -155.01 137.65 15.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.962 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -107.0 139.95 40.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.96 139.08 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.3 t0 69.7 -65.33 0.31 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 2.3 t30 179.34 38.18 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.401 ' CG ' ' O ' ' A' ' 89' ' ' ASN . 78.6 m-85 -157.7 158.82 36.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.806 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -99.88 127.97 46.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -112.94 150.53 31.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.748 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.425 ' HB2' ' CE1' ' A' ' 137' ' ' TYR . 8.9 m120 -114.06 120.02 39.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.043 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.0 mt -115.04 125.59 53.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.57 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.437 HD12 ' CE1' ' A' ' 135' ' ' PHE . 2.8 mp -118.62 141.06 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.23 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.94 144.22 43.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.766 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 20.9 t -112.82 123.42 68.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.165 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.1 mp -130.04 121.21 51.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.25 126.56 55.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -94.21 3.73 54.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.431 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.4 m 58.81 92.62 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.76 0.314 . . . . 0.0 111.008 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 14.1 mmt-85 -121.74 -71.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.762 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -112.4 -34.93 5.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 145.57 116.23 1.01 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.555 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.432 ' CG2' ' CE1' ' A' ' 127' ' ' PHE . 1.0 OUTLIER -131.99 130.56 41.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.341 . . . . 0.0 110.91 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -119.77 136.39 54.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.1 tp -122.1 137.19 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.451 0.643 . . . . 0.0 111.217 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 11.0 m120 59.87 29.61 19.17 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.681 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.7 13.1 74.79 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.836 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -134.15 151.97 51.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.769 0.319 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 129.88 41.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.2 tt -75.87 125.91 29.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 10.3 p -143.87 51.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.087 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -165.13 148.92 8.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.6 tpmp? -97.08 151.97 19.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.954 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 34.9 t0 62.83 58.51 1.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.08 137.79 33.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.731 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.409 ' O ' ' CG2' ' A' ' 118' ' ' ILE . 8.6 tp -98.66 118.03 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.34 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.4 tt -103.1 134.63 46.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -125.77 178.15 5.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.821 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.428 ' HB2' ' CE2' ' A' ' 137' ' ' TYR . 9.1 t30 -53.67 143.67 19.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.52 51.37 26.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.459 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.12 120.84 40.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.829 0.347 . . . . 0.0 111.057 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -91.85 125.74 36.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.745 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.427 ' HB ' ' CE1' ' A' ' 133' ' ' PHE . 2.2 mp -126.65 137.87 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.325 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 28.7 t -120.0 127.58 75.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.432 ' CE1' ' CG2' ' A' ' 105' ' ' THR . 3.3 m-85 -114.56 137.61 51.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.118 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 80.99 -67.49 3.59 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.446 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.6 -34.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.762 0.315 . . . . 0.0 111.044 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.31 -42.03 3.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.271 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 51.8 m -54.16 106.03 0.18 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.928 0.394 . . . . 0.0 111.102 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.3 m -124.2 128.67 49.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.78 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.427 ' CE1' ' HB ' ' A' ' 125' ' ' ILE . 12.2 p90 -141.98 155.86 45.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.087 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 10.1 tt -118.55 139.4 51.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.765 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.437 ' CE1' HD12 ' A' ' 95' ' ' ILE . 21.5 t80 -100.45 141.51 33.2 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 122.023 0.916 . . . . 0.0 111.769 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -154.63 159.74 41.0 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 113.807 -1.542 . . . . 0.0 110.906 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.428 ' CE2' ' HB2' ' A' ' 121' ' ' ASN . 4.4 m-85 -86.11 139.99 30.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.995 0.426 . . . . 0.0 110.634 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.436 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . . . . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.262 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.402 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 6.5 m-85 . . . . . 0 CA--C 1.535 0.368 0 CA-C-O 120.273 0.082 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.51 128.68 22.28 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-O 120.725 0.298 . . . . 0.0 110.633 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.6 t -76.47 128.37 34.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.84 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 tt -144.9 -44.73 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.192 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -126.97 173.03 18.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.648 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.429 ' CD2' ' HA ' ' A' ' 49' ' ' GLU . 50.8 m80 -145.47 163.23 35.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mt -124.76 126.31 45.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.799 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.7 t -108.9 123.57 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.099 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -89.92 120.18 30.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.752 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.5 106.94 17.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.544 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 9.1 mm -124.15 141.3 36.89 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.53 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.544 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 45.7 Cg_endo -70.97 -3.87 13.68 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.183 1.922 . . . . 0.0 112.895 -179.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -114.71 -9.3 14.45 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.589 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.23 -175.26 0.06 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.757 0.313 . . . . 0.0 110.801 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -137.56 136.22 37.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.843 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -120.96 135.69 55.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.97 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -113.09 130.98 55.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.8 t -120.55 149.76 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.429 ' HA ' ' CD2' ' A' ' 36' ' ' HIS . 1.5 pt-20 -101.77 132.37 47.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.691 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.436 ' O ' HG21 ' A' ' 50' ' ' ILE . 2.7 tt -115.34 132.08 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.122 0.486 . . . . 0.0 111.359 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.402 ' HB ' ' HB2' ' A' ' 31' ' ' TYR . 0.6 OUTLIER -99.8 168.02 10.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.988 -179.621 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -80.92 62.03 4.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.097 0.475 . . . . 0.0 110.114 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.59 ' C ' ' H ' ' A' ' 55' ' ' VAL . 9.0 ttt85 -80.16 1.47 28.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.158 -179.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.403 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 10.0 t-20 71.9 -36.3 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -178.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.59 ' H ' ' C ' ' A' ' 53' ' ' ARG . 74.8 t -137.28 139.15 44.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.781 179.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 80' ' ' PHE . 53.7 m -125.27 125.18 43.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.165 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.2 OUTLIER -103.83 120.41 40.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.94 0.4 . . . . 0.0 110.831 -179.849 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.8 mt -109.33 122.17 63.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.077 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.44 -154.55 20.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.484 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.417 ' CG ' HG22 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -93.36 -26.58 17.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.666 0.27 . . . . 0.0 110.983 -179.904 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 t -51.29 150.8 3.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.07 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -75.89 -33.49 59.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.1 m -69.79 -20.58 63.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.048 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 3.4 m -53.17 135.29 38.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.058 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.421 ' HB3' ' CG2' ' A' ' 56' ' ' THR . 8.4 t70 -58.19 -41.01 82.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.062 0.458 . . . . 0.0 110.615 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.8 t -124.86 111.9 29.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.1 mp -92.88 118.53 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.15 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.9 mp -72.17 -176.06 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 m -112.24 27.29 9.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.265 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.36 120.36 49.83 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.58 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -57.68 -16.17 23.7 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.506 2.137 . . . . 0.0 112.865 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -133.48 37.2 3.34 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.583 0.23 . . . . 0.0 111.591 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.417 HG22 ' CG ' ' A' ' 60' ' ' ARG . 3.6 tp -75.99 146.56 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.308 . . . . 0.0 110.838 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.09 130.51 46.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.234 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.4 m -68.39 -44.07 75.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.633 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 77' ' ' HIS . 49.6 m-85 -100.66 13.89 33.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.162 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.5 ' CD2' ' CD2' ' A' ' 127' ' ' PHE . 2.7 t60 -21.96 -67.48 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.584 -1.189 . . . . 0.0 112.656 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.424 ' HB1' ' CZ ' ' A' ' 127' ' ' PHE . . . -156.28 161.92 40.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.965 0.412 . . . . 0.0 111.774 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -128.67 133.99 48.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.496 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' THR . 7.6 m-85 -119.54 127.28 52.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.857 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.403 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 11.1 m170 -94.86 116.47 28.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.902 0.382 . . . . 0.0 111.364 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 22.8 tp -106.62 109.66 21.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.572 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.3 tt -122.14 140.07 52.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -100.5 121.0 40.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.74 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.2 138.57 51.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -103.38 115.9 31.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.3 p -140.0 127.17 23.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.033 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 65.64 -171.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.765 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.83 -57.4 5.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.285 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -84.87 -176.46 6.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -128.23 143.28 51.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -117.03 146.0 43.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.956 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -113.95 126.6 55.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 11.7 mt -108.39 135.79 49.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.1 mp -121.36 136.78 57.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.152 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.5 144.11 43.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.734 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.452 ' CG1' ' CZ ' ' A' ' 80' ' ' PHE . 21.8 t -110.05 129.73 64.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.255 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.485 HG21 HD11 ' A' ' 98' ' ' ILE . 24.9 mm -126.25 130.46 72.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.059 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -130.24 130.35 44.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.45 9.48 37.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.399 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 m 59.11 109.55 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.855 0.359 . . . . 0.0 111.074 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.28 -47.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.805 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -127.24 -43.62 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.177 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 145.17 110.91 0.7 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.436 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.78 123.56 41.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.34 . . . . 0.0 111.039 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -120.98 137.44 54.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.407 HD13 ' ND2' ' A' ' 108' ' ' ASN . 3.2 tp -122.93 137.19 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.451 0.643 . . . . 0.0 111.374 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.407 ' ND2' HD13 ' A' ' 107' ' ' ILE . 13.7 m120 64.35 27.46 13.7 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.794 -179.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.67 10.77 72.09 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.975 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -134.06 150.7 51.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.785 0.326 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.93 136.45 54.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.4 pp -77.37 141.72 39.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.974 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 11.1 p -128.5 -44.91 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.098 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.44 158.01 28.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -94.22 153.22 18.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.978 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.6 t70 60.1 75.32 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -84.07 139.16 32.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 8.2 tp -98.55 119.26 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.205 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.41 HD23 ' CD2' ' A' ' 135' ' ' PHE . 10.5 tt -103.02 139.48 38.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.017 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -135.05 178.07 7.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.809 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 8.2 p-10 -57.04 140.52 48.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 74.71 37.45 45.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.398 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.64 129.0 56.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.727 0.298 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.65 129.56 47.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.421 ' HB ' ' CE2' ' A' ' 133' ' ' PHE . 2.0 mp -124.09 136.28 60.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.013 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 38.0 t -115.04 128.51 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.133 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.5 ' CD2' ' CD2' ' A' ' 77' ' ' HIS . 2.8 m-85 -110.37 140.32 44.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 72.35 -64.67 1.35 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.436 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 170.26 -35.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.753 0.311 . . . . 0.0 110.951 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.3 -42.8 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.511 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 71.8 m -55.55 107.09 0.29 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.148 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.3 m -124.23 128.86 49.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.822 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.421 ' CE2' ' HB ' ' A' ' 125' ' ' ILE . 16.4 p90 -142.0 156.1 45.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.917 0.389 . . . . 0.0 111.065 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 6.0 tt -120.56 138.93 53.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.746 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.41 ' CD2' HD23 ' A' ' 119' ' ' LEU . 81.9 t80 -103.45 141.71 35.51 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 121.979 0.895 . . . . 0.0 111.849 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -154.27 147.43 24.74 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 113.848 -1.523 . . . . 0.0 110.701 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 137' ' ' TYR . 0.5 OUTLIER -78.64 139.48 38.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.919 0.39 . . . . 0.0 110.841 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.087 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 CA--C 1.534 0.361 0 CA-C-O 120.384 0.135 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.41 130.24 24.52 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.755 0.312 . . . . 0.0 110.488 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.89 144.97 47.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.088 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -150.1 -46.1 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.775 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.99 -175.77 22.47 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.366 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -147.15 162.41 38.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.897 0.38 . . . . 0.0 111.072 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.5 mp -126.9 124.68 40.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.638 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.56 121.96 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.073 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -89.43 113.96 25.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -77.7 106.83 9.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.0 mt -124.08 138.96 31.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.962 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.59 -25.73 26.81 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.489 2.126 . . . . 0.0 112.523 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.25 -29.74 18.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.563 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.24 -167.79 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.48 129.83 50.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.971 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.32 127.67 49.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.63 130.25 46.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.034 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 37.6 t -122.45 149.52 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -101.93 135.5 43.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.958 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.8 tt -116.13 132.06 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.167 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -101.62 168.05 9.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.994 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -92.45 66.8 4.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.148 0.499 . . . . 0.0 110.332 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.614 ' C ' ' H ' ' A' ' 55' ' ' VAL . 14.8 ttt85 -85.37 7.58 21.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.996 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.42 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 1.0 OUTLIER 71.73 -38.4 0.42 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 -178.684 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.614 ' H ' ' C ' ' A' ' 53' ' ' ARG . 77.7 t -137.35 135.2 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.255 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 80' ' ' PHE . 97.2 m -125.2 131.33 53.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.449 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.409 ' N ' ' HB2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.88 137.32 42.05 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.935 0.398 . . . . 0.0 110.875 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.447 ' CD1' ' CE1' ' A' ' 80' ' ' PHE . 26.9 mt -121.59 119.07 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.15 -140.67 6.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.295 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.5 ttt-85 -113.1 -21.21 11.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.67 0.271 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.6 152.21 0.72 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.9 0.381 . . . . 0.0 111.304 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.35 -40.34 67.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.6 t -72.1 -19.56 61.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.367 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 18.0 m -54.85 160.02 2.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.726 0.298 . . . . 0.0 111.004 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.422 ' HB2' HG23 ' A' ' 56' ' ' THR . 1.0 OUTLIER -80.7 -66.07 0.93 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.01 0.433 . . . . 0.0 110.845 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.6 t -97.6 108.44 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.181 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.7 pt -91.92 104.9 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.045 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.3 mp -72.37 -176.79 1.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.42 37.23 4.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.95 124.24 44.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.701 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -56.0 -18.62 23.2 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.475 2.117 . . . . 0.0 112.713 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -127.77 33.31 4.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.694 0.283 . . . . 0.0 111.215 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.2 tp -76.15 125.31 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 111.065 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.409 ' HB3' ' CG ' ' A' ' 77' ' ' HIS . 26.5 t -57.06 131.99 51.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.3 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.6 m -63.07 -44.02 96.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.732 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.461 ' O ' ' C ' ' A' ' 77' ' ' HIS . 7.5 m-85 -103.95 13.81 31.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.3 0.571 . . . . 0.0 111.263 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' A' ' 76' ' ' PHE . 1.8 t-160 -16.03 -68.38 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.548 -1.205 . . . . 0.0 112.909 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.55 160.24 42.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.092 0.472 . . . . 0.0 112.058 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -125.61 133.63 52.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.132 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 56' ' ' THR . 7.2 m-85 -119.43 131.03 55.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.786 0.326 . . . . 0.0 111.107 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.42 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 7.8 m-70 -94.99 116.29 28.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.905 0.383 . . . . 0.0 110.971 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.67 109.7 21.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.765 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.05 140.01 53.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.068 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -108.61 120.96 43.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.766 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -128.55 127.31 42.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -107.04 123.32 48.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.01 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.0 t -121.58 135.65 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.971 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 70.1 -61.76 0.45 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -171.4 -41.59 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.813 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -65.92 -172.87 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.768 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.28 127.83 50.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -117.04 117.4 29.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -113.81 130.97 56.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.068 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.8 mt -122.99 136.33 54.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.681 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.432 HD12 ' CE1' ' A' ' 135' ' ' PHE . 3.9 mp -118.65 134.9 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.148 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.15 140.63 48.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.739 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 18.5 t -105.16 134.92 45.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.215 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 28.1 mm -129.05 121.11 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.061 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -111.04 128.79 55.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.46 35.2 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.3 m -116.75 -178.18 3.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.82 79.81 1.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -153.83 -59.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.26 107.77 0.59 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.467 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.456 ' CG2' ' CE1' ' A' ' 127' ' ' PHE . 90.2 m -115.09 127.22 55.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 110.987 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -121.04 115.04 22.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.762 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.7 tp -116.01 137.23 50.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.468 0.651 . . . . 0.0 111.401 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 61.58 27.04 16.61 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.69 11.83 73.47 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.881 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -134.08 151.95 51.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.834 0.35 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 -71.95 136.76 46.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 tt -78.21 130.7 36.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 11.0 p -121.29 -44.99 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -93.01 143.63 26.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.84 167.51 20.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.998 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.2 t70 60.69 64.44 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -83.92 138.79 32.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.407 ' O ' ' CG2' ' A' ' 118' ' ' ILE . 8.1 tp -98.68 120.73 48.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.98 0.419 . . . . 0.0 111.278 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.0 tt -103.09 132.92 48.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.0 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -130.1 178.19 6.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.453 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 6.1 p30 -52.29 146.58 9.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 64.57 44.79 94.59 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.363 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.19 118.6 32.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 111.067 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.11 123.91 34.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.671 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.5 mp -114.87 131.35 67.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.286 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 25.9 t -119.7 132.48 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.456 ' CE1' ' CG2' ' A' ' 105' ' ' THR . 35.7 m-85 -128.79 139.26 52.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.051 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 86.84 -69.35 3.1 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.337 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 9.8 pttp 170.19 -33.41 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.728 0.299 . . . . 0.0 110.989 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.9 p -112.38 -39.17 4.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.456 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 23.9 m -54.79 104.25 0.11 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.899 0.38 . . . . 0.0 111.233 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 58.0 m -124.59 123.82 40.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.816 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -142.1 156.32 45.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.095 0.474 . . . . 0.0 111.305 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 5.7 tp -114.3 136.97 52.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.651 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.432 ' CE1' HD12 ' A' ' 95' ' ' ILE . 28.4 t80 -104.14 141.66 35.85 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.988 0.899 . . . . 0.0 111.907 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -154.3 157.57 38.86 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 113.81 -1.541 . . . . 0.0 110.709 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 121' ' ' ASN . 4.6 m-85 -84.77 139.95 31.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.015 0.436 . . . . 0.0 110.756 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.052 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 . . . . . 0 CA--C 1.535 0.373 0 N-CA-C 110.713 -0.106 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.28 136.16 33.01 Favored 'General case' 0 C--N 1.334 -0.067 0 CA-C-O 120.802 0.334 . . . . 0.0 110.579 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.81 144.7 47.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.094 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -147.5 -46.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.813 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.66 -173.29 19.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.361 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.424 ' CE1' ' HB1' ' A' ' 138' ' ' ALA . 55.2 m80 -147.08 162.85 37.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.023 0.439 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mt -127.01 110.53 13.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.634 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -96.37 121.84 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.327 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -90.14 115.54 27.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 mp -95.0 106.85 18.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.799 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.4 mt -124.15 139.23 32.25 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.015 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.84 89.6 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.463 2.109 . . . . 0.0 112.247 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.2 51.92 1.82 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 175.02 -176.79 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.867 0.365 . . . . 0.0 110.839 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -175.95 136.43 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -139.65 127.85 22.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -113.0 127.69 56.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.2 t -120.15 151.03 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.216 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -101.57 134.47 44.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.4 tt -116.07 132.04 66.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.306 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.22 165.18 12.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.981 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -77.61 64.64 2.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.079 0.466 . . . . 0.0 110.298 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.592 ' C ' ' H ' ' A' ' 55' ' ' VAL . 11.7 ttt-85 -81.89 2.54 30.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.097 -179.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.417 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 4.0 m120 71.37 -38.0 0.41 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.592 ' H ' ' C ' ' A' ' 53' ' ' ARG . 74.9 t -137.27 137.22 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.775 179.265 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 80' ' ' PHE . 86.9 m -125.23 130.05 51.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.146 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.83 140.73 37.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.932 0.396 . . . . 0.0 111.322 -179.618 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.453 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 4.5 mp -132.38 130.56 60.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.3 -121.18 0.97 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.14 -1.028 . . . . 0.0 113.372 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.415 ' HB2' ' CG2' ' A' ' 73' ' ' ILE . 1.4 ttt-85 -119.77 -43.9 2.55 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.736 0.303 . . . . 0.0 111.367 -179.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 t -41.88 150.29 0.12 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.549 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.99 -30.73 58.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.934 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.9 m -69.91 -20.68 63.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 34.6 m -57.92 158.39 6.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.789 0.328 . . . . 0.0 110.862 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' THR . 0.8 OUTLIER -73.28 -57.84 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 111.195 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' A' ' 58' ' ' ILE . 25.4 t -124.32 133.05 70.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.841 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 16.6 pt -99.66 128.21 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.597 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.7 -79.47 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.187 -179.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 9.1 t -102.35 -104.15 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.51 ' CB ' ' CD ' ' A' ' 71' ' ' PRO . 0.0 OUTLIER 167.72 -68.44 0.0 OUTLIER Pre-proline 0 CA--C 1.531 0.222 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 179.441 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 70' ' ' GLU . 43.4 Cg_endo -67.62 -40.2 10.61 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.42 2.08 . . . . 0.0 113.81 -178.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -118.98 34.3 5.28 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.415 ' CG2' ' HB2' ' A' ' 60' ' ' ARG . 4.7 tp -110.99 126.21 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.955 0.407 . . . . 0.0 111.184 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 m -59.06 132.35 53.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.155 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.93 -31.51 72.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 77' ' ' HIS . 7.8 m-85 -111.99 13.81 20.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.318 0.58 . . . . 0.0 111.285 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 76' ' ' PHE . 1.1 t60 -18.23 -70.77 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.451 -1.249 . . . . 0.0 113.224 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -155.26 164.12 39.22 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.112 0.482 . . . . 0.0 112.07 -179.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -131.83 137.6 48.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.384 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' THR . 44.6 m-85 -119.37 129.03 54.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.852 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.417 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 7.3 m-70 -94.98 116.05 28.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.857 0.36 . . . . 0.0 111.068 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.7 tp -106.76 109.73 21.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.755 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.2 tt -121.41 140.11 52.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.138 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -127.91 120.97 28.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.82 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -134.46 142.03 46.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.81 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -99.68 115.96 30.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.0 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.0 m -113.23 119.26 60.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 t70 77.16 -54.22 0.55 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.061 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -175.55 -39.53 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.825 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -79.98 158.29 26.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.852 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -101.18 131.92 46.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -111.39 128.31 55.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -113.58 129.14 56.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.0 mt -131.22 137.93 49.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.403 ' CD1' ' CE1' ' A' ' 135' ' ' PHE . 4.0 mp -120.39 139.46 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.071 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.95 134.57 55.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.429 ' HB ' ' HB3' ' A' ' 117' ' ' TYR . 20.7 t -99.95 122.73 52.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.24 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 9.2 mt -130.05 120.92 50.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.797 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -109.47 129.31 55.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.011 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.1 -9.29 59.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.328 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.7 m 66.92 98.63 0.05 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.806 0.336 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.19 -55.51 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -110.29 -38.96 5.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 124.27 107.87 1.77 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.512 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.9 m -107.06 126.28 52.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.36 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -112.18 126.59 55.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.9 tp -114.94 137.38 48.61 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-O 121.482 0.658 . . . . 0.0 111.298 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 62.77 27.54 16.11 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.58 11.67 72.83 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.945 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -134.06 151.95 51.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.787 0.327 . . . . 0.0 110.844 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.26 130.07 40.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.853 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.0 tp -100.05 142.06 32.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 14.5 p -128.38 30.96 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.01 176.77 4.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -119.03 -40.79 2.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.11 69.48 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.952 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.429 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 10.7 t80 -84.17 139.34 32.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.79 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 8.8 tp -98.43 121.62 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.187 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.5 tt -102.96 138.64 39.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.002 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -122.82 171.13 9.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.43 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 5.9 p-10 -58.12 138.26 56.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 77.51 49.56 7.2 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.495 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.27 127.94 47.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.757 0.313 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 13.5 mtt-85 -89.26 122.6 32.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.803 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.8 mp -123.12 129.6 74.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.8 t -111.65 134.06 55.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.039 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.419 ' CD2' ' CD2' ' A' ' 77' ' ' HIS . 5.2 m-85 -116.37 137.25 52.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.011 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.68 -64.9 2.55 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.463 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 170.44 -35.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.34 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 18.2 p -106.81 -38.09 6.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.305 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 22.7 m -57.82 105.85 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.906 0.384 . . . . 0.0 111.06 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 72.4 p -124.47 120.8 33.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.192 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 133' ' ' PHE . 1.8 p90 -142.03 152.64 43.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.778 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 5.5 tt -114.48 139.96 49.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.005 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.403 ' CE1' ' CD1' ' A' ' 95' ' ' ILE . 21.8 t80 -106.87 141.71 37.66 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 121.883 0.849 . . . . 0.0 111.539 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -154.52 155.6 35.13 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 114.047 -1.433 . . . . 0.0 110.954 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.43 ' CE2' ' HB3' ' A' ' 121' ' ' ASN . 1.2 m-85 -79.11 139.9 37.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.923 0.392 . . . . 0.0 110.578 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.424 ' HB1' ' CE1' ' A' ' 36' ' ' HIS . . . . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.002 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 . . . . . 0 CA--C 1.534 0.362 0 CA-C-O 120.236 0.065 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.24 128.9 23.0 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.836 0.35 . . . . 0.0 110.64 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.41 145.03 49.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.008 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.14 -46.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.475 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -139.03 166.73 25.35 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.084 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.416 ' CE1' ' CB ' ' A' ' 138' ' ' ALA . 28.3 m80 -134.27 160.27 38.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.895 0.379 . . . . 0.0 111.097 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.5 mt -124.72 115.03 20.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.782 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.2 t -96.01 121.89 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.143 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.14 116.69 28.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.776 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mp -99.01 106.95 19.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.54 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 3.8 mp -124.19 141.28 36.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.831 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.54 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 56.7 Cg_endo -73.26 87.79 1.03 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.169 1.913 . . . . 0.0 111.984 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.29 19.9 4.93 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.46 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 ttpp 179.96 166.43 1.24 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.812 0.339 . . . . 0.0 110.697 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.05 145.32 25.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.953 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -137.54 139.97 40.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -113.06 125.85 54.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.7 t -122.73 149.03 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.175 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -107.96 142.08 38.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 23.9 mm -116.1 131.49 68.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.376 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.47 168.23 9.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.3 p30 -91.24 66.9 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.094 0.473 . . . . 0.0 110.429 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.613 ' C ' ' H ' ' A' ' 55' ' ' VAL . 20.1 ttt180 -88.07 10.05 20.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.896 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 0.5 OUTLIER 71.47 -39.34 0.45 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -178.584 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.613 ' H ' ' C ' ' A' ' 53' ' ' ARG . 94.5 t -137.56 137.26 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.254 178.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 80' ' ' PHE . 60.6 m -125.31 129.18 49.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.333 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.417 ' HB ' ' HA ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -103.94 137.93 41.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.96 0.41 . . . . 0.0 111.065 -179.769 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.44 ' CD1' ' CE1' ' A' ' 80' ' ' PHE . 8.2 mt -128.56 118.3 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.29 -141.19 5.61 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.544 -0.836 . . . . 0.0 113.047 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.416 ' HD2' ' O ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -101.25 -30.79 11.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.776 0.322 . . . . 0.0 111.038 -179.631 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.34 157.85 0.12 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.411 -179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -85.45 -35.21 21.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.711 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.07 -21.46 63.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.417 ' HA ' ' HB ' ' A' ' 57' ' ' THR . 67.0 m -52.55 155.94 2.01 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.425 ' CG ' ' HA ' ' A' ' 56' ' ' THR . 1.4 m-20 -73.06 -59.02 2.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.39 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.3 t -110.97 131.91 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.141 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.1 pp -97.35 104.92 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.854 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.417 ' CD2' HD13 ' A' ' 73' ' ' ILE . 2.2 tp -73.74 -152.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.118 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.557 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 16.3 t -35.91 -88.95 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 117.463 0.12 . . . . 0.0 111.1 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.557 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.5 OUTLIER 143.37 -67.17 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.661 0 C-N-CA 123.162 0.585 . . . . 0.0 111.129 179.048 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 70' ' ' GLU . 40.9 Cg_endo -67.28 -13.86 40.91 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.509 2.139 . . . . 0.0 113.415 -179.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -139.71 26.03 2.33 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.756 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.417 HD13 ' CD2' ' A' ' 68' ' ' LEU . 6.3 tp -106.67 144.66 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.009 0.433 . . . . 0.0 111.423 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 63.3 m -87.46 130.87 34.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.234 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.0 m -55.66 -34.89 65.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.139 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -112.12 14.16 20.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.19 0.519 . . . . 0.0 111.582 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -28.4 -68.74 0.06 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.865 -1.061 . . . . 0.0 112.759 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -149.9 164.08 36.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.158 0.504 . . . . 0.0 112.115 -179.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.9 137.43 41.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.436 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' THR . 7.0 m-85 -119.45 131.23 55.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.012 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.402 ' CD2' HD13 ' A' ' 98' ' ' ILE . 9.7 m-70 -94.86 116.82 29.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.87 0.367 . . . . 0.0 111.16 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 0.1 OUTLIER -106.29 109.41 21.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.795 179.744 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.32 140.11 53.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -99.65 131.44 45.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.03 118.74 37.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -84.28 122.75 29.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.076 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.0 t -140.03 139.38 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.947 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -44.73 -66.33 0.41 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.519 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -49.9 -79.93 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.28 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -139.07 148.06 42.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.74 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -82.8 128.04 34.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.002 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 -117.05 139.44 50.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -114.02 131.65 56.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.8 mp -105.95 141.93 36.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.67 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.429 HG13 ' CE1' ' A' ' 135' ' ' PHE . 12.0 mm -116.73 138.65 46.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.219 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.09 144.13 44.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.567 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.403 HG11 ' CZ ' ' A' ' 80' ' ' PHE . 14.5 t -115.52 135.02 56.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.268 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.402 HD13 ' CD2' ' A' ' 81' ' ' HIS . 27.0 mt -124.15 137.27 57.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -107.89 114.93 29.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.021 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -143.28 51.25 1.38 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.799 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.65 172.83 8.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.996 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -110.53 -30.96 7.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.749 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -65.65 -74.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.216 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 170.86 142.21 3.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.769 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.433 HG21 ' CD1' ' A' ' 127' ' ' PHE . 82.9 m -131.99 122.85 26.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.732 0.301 . . . . 0.0 110.652 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -121.07 121.23 37.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.006 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.1 tp -117.67 137.25 52.2 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 CA-C-O 121.502 0.668 . . . . 0.0 111.231 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 60.28 31.0 20.3 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.738 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.61 13.1 74.46 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.823 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -134.11 152.01 51.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 110.795 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 -70.42 142.78 51.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.5 tt -77.46 121.91 24.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 30.7 m -138.64 30.88 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.072 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.05 149.72 33.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.42 141.85 28.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 25.4 t70 62.63 70.73 0.55 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -84.08 139.1 32.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.79 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.408 ' O ' ' CG2' ' A' ' 118' ' ' ILE . 8.6 tp -98.69 118.14 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.042 0.449 . . . . 0.0 111.313 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.5 tt -103.09 144.19 31.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.962 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -136.13 178.04 7.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.72 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.427 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 8.4 p-10 -58.93 140.51 55.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 74.97 42.51 29.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -121.66 118.53 29.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.361 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.31 119.41 30.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.779 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.448 ' CG2' ' CE1' ' A' ' 133' ' ' PHE . 3.6 tt -118.05 137.53 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.234 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 25.3 t -116.56 132.33 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.931 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.433 ' CD1' HG21 ' A' ' 105' ' ' THR . 18.9 m-85 -122.22 134.59 54.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 83.65 -68.07 3.61 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.371 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 171.2 -33.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.618 0.247 . . . . 0.0 110.969 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 95.8 p -110.42 -41.23 4.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.372 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 38.3 m -56.37 102.02 0.07 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.106 0.479 . . . . 0.0 111.288 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.7 t -124.87 119.89 30.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.448 ' CE1' ' CG2' ' A' ' 125' ' ' ILE . 27.5 p90 -142.05 156.15 45.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.873 0.368 . . . . 0.0 111.203 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.5 tp -113.35 140.01 48.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.808 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.429 ' CE1' HG13 ' A' ' 95' ' ' ILE . 26.0 t80 -105.14 141.47 36.64 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.947 0.88 . . . . 0.0 111.816 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -154.69 155.96 35.55 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 113.869 -1.514 . . . . 0.0 110.893 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 121' ' ' ASN . 5.5 m-85 -86.01 139.56 31.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.743 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.416 ' CB ' ' CE1' ' A' ' 36' ' ' HIS . . . . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.41 ' N ' HG22 ' A' ' 51' ' ' THR . 8.2 m-85 . . . . . 0 CA--C 1.534 0.33 0 CA-C-O 120.285 0.088 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.42 128.92 22.74 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.72 0.295 . . . . 0.0 110.627 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.2 132.2 53.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.072 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.62 -47.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.624 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -140.37 -172.14 12.75 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.175 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -145.82 164.38 32.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.956 0.408 . . . . 0.0 111.051 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 mp -127.24 127.49 44.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.758 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.8 t -110.51 121.98 64.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -88.21 113.95 24.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.836 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mp -93.29 106.79 18.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.535 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 3.6 mp -124.18 141.01 36.15 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.535 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 46.5 Cg_endo -71.74 77.36 1.84 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.122 1.881 . . . . 0.0 111.803 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.54 31.07 1.09 Allowed Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.247 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 175.29 -170.25 0.05 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.808 0.337 . . . . 0.0 110.716 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -178.43 151.17 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -146.43 130.22 17.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.12 126.41 55.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.976 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 42.9 t -125.11 148.53 29.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.161 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -94.24 137.89 32.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.759 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.426 ' O ' HG22 ' A' ' 50' ' ' ILE . 13.0 tt -116.14 132.13 66.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.052 0.453 . . . . 0.0 111.442 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -100.89 168.13 9.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.93 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -77.03 63.13 2.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.023 0.44 . . . . 0.0 110.29 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.581 ' C ' ' H ' ' A' ' 55' ' ' VAL . 4.4 ttt85 -81.55 0.88 36.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.051 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.466 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 0.9 OUTLIER 71.72 -36.46 0.36 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -178.761 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.581 ' H ' ' C ' ' A' ' 53' ' ' ARG . 73.8 t -137.45 138.78 44.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.746 179.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 80' ' ' PHE . 0.7 OUTLIER -125.31 128.32 48.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.5 179.828 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.88 137.45 41.85 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.822 0.344 . . . . 0.0 111.126 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.432 HD12 ' CD2' ' A' ' 80' ' ' PHE . 4.6 mp -131.66 124.43 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.181 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.16 -135.14 3.26 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.416 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -108.54 -26.35 10.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.826 0.346 . . . . 0.0 111.026 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.24 139.15 43.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -70.19 -30.0 67.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.8 m -69.97 -25.73 63.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 90.4 m -55.78 162.69 1.66 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 57' ' ' THR . 0.6 OUTLIER -71.06 -57.06 4.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.967 0.413 . . . . 0.0 110.847 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.14 116.31 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.973 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 10.5 pt -93.77 128.08 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.178 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 mt -90.68 164.71 14.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.751 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.3 m -103.25 31.37 4.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.59 133.89 30.28 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.547 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.24 -13.72 41.12 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.417 2.078 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -134.74 38.3 3.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 111.091 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.427 HD12 ' CE1' ' A' ' 77' ' ' HIS . 8.3 tp -81.62 121.07 34.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.983 0.42 . . . . 0.0 111.205 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.0 t -56.33 134.41 53.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.365 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.0 m -61.8 -44.03 97.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.797 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.458 ' O ' ' C ' ' A' ' 77' ' ' HIS . 11.9 m-85 -102.8 13.83 33.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.208 0.528 . . . . 0.0 111.385 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -18.67 -70.15 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.603 -1.18 . . . . 0.0 112.916 -179.329 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -145.32 162.82 36.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.13 0.49 . . . . 0.0 111.843 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -134.48 133.97 40.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.446 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.432 ' CD2' HD12 ' A' ' 58' ' ' ILE . 54.7 m-85 -119.37 128.0 53.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.849 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.466 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 12.8 m-70 -94.95 116.48 28.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.812 0.339 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -106.4 109.44 21.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.797 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.46 140.15 53.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.072 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -103.36 120.88 41.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.1 mtt -131.44 127.68 37.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -107.07 136.9 46.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.56 139.03 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.028 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 71.14 -60.62 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.083 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -171.82 -41.32 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.834 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -74.8 -177.12 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.651 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -129.7 128.0 41.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.034 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -114.76 143.48 45.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -114.04 120.77 41.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.06 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.5 mt -106.29 136.0 46.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.652 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.1 mp -123.28 141.08 44.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.887 0.375 . . . . 0.0 111.259 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -117.68 142.81 46.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.775 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.4 ' HB ' ' HB3' ' A' ' 117' ' ' TYR . 11.5 t -110.13 133.41 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.406 HD11 ' CD2' ' A' ' 81' ' ' HIS . 5.0 mt -128.14 126.94 67.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.016 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -84.95 118.84 24.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -144.71 37.78 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.9 179.87 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -109.96 -31.14 7.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.967 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -92.32 -48.77 6.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.09 146.42 4.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.593 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 67.6 m -132.02 133.15 44.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.888 0.375 . . . . 0.0 110.805 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -109.41 130.69 55.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.2 tp -119.58 137.34 53.78 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 CA-C-O 121.447 0.641 . . . . 0.0 111.349 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 61.13 28.81 18.44 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.8 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.65 12.71 74.24 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.743 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -134.12 152.02 51.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.803 0.335 . . . . 0.0 110.805 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -65.22 142.96 58.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.52 130.76 40.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 28.8 m -117.39 -39.96 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.049 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -101.23 154.33 18.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.49 -29.58 22.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -104.21 70.36 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.042 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.4 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 4.7 t80 -84.04 139.09 32.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.755 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 8.6 tp -98.6 118.65 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-O 121.005 0.431 . . . . 0.0 111.382 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.4 tt -103.01 139.46 38.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -126.64 178.07 6.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.859 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.428 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 6.8 p-10 -58.0 137.66 56.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.947 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 76.14 39.81 31.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -104.8 137.26 42.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.349 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -106.23 118.89 37.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.418 HG22 ' CZ ' ' A' ' 127' ' ' PHE . 1.5 mp -114.98 135.36 55.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 39.6 t -121.07 123.9 71.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.268 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.418 ' CZ ' HG22 ' A' ' 125' ' ' ILE . 5.5 m-85 -109.76 147.84 32.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.037 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.02 -64.66 0.71 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.52 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? 171.99 -42.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.814 0.34 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 59.5 p -105.92 -33.49 7.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 22.8 m -58.2 108.53 0.62 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 63.9 p -124.02 141.3 52.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -141.98 156.04 45.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 7.7 tt -126.1 115.07 19.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.737 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -92.08 141.78 28.23 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.946 0.879 . . . . 0.0 111.788 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.17 154.76 34.1 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 113.91 -1.495 . . . . 0.0 110.741 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.506 ' CD1' ' N ' ' A' ' 137' ' ' TYR . 0.5 OUTLIER -86.0 139.61 31.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.697 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.081 -179.945 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.41 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 74.2 m-85 . . . . . 0 CA--C 1.536 0.422 0 N-CA-C 110.632 -0.136 . . . . 0.0 110.632 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.425 ' N ' HG21 ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.33 129.77 24.02 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.713 0.292 . . . . 0.0 110.268 179.775 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.46 142.68 48.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.958 0.408 . . . . 0.0 111.333 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.71 -47.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.476 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -128.64 155.33 20.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.132 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.415 ' CE1' ' HB1' ' A' ' 138' ' ' ALA . 18.5 m80 -120.54 161.98 20.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.947 0.403 . . . . 0.0 111.163 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.1 mt -127.04 124.12 38.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.625 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.6 t -101.49 121.71 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.085 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.429 ' HA ' ' CD2' ' A' ' 133' ' ' PHE . 0.0 OUTLIER -90.31 128.55 36.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.632 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 mt -107.92 106.63 16.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.519 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 37.9 mm -124.46 141.81 38.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.519 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 60.5 Cg_endo -75.99 72.39 5.26 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.223 1.948 . . . . 0.0 111.978 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 161.76 -26.78 0.26 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.413 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -178.68 122.26 0.09 Allowed 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -79.61 -174.03 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.02 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.18 141.01 3.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.817 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.04 122.96 49.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.4 t -117.96 150.96 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -105.18 131.97 51.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.6 mm -106.37 127.11 61.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.1 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.425 HG21 ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -98.72 167.17 10.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.097 -179.855 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.41 62.45 6.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.518 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.593 ' C ' ' H ' ' A' ' 55' ' ' VAL . 9.3 mtt180 -85.18 5.89 28.13 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.913 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.432 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 2.3 t-20 71.59 -36.98 0.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -178.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.593 ' H ' ' C ' ' A' ' 53' ' ' ARG . 67.5 t -137.48 135.66 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.85 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 80' ' ' PHE . 88.4 m -125.22 130.19 51.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.963 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.9 137.71 41.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.923 0.392 . . . . 0.0 111.148 -179.679 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.8 mp -125.86 125.59 68.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.52 -132.04 2.47 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.431 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.85 -26.28 6.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.666 0.269 . . . . 0.0 111.267 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.85 145.17 2.09 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.947 0.403 . . . . 0.0 111.238 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -26.34 62.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.158 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.3 p -81.26 -26.89 35.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.231 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.1 m -53.26 160.61 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.074 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 57' ' ' THR . 4.3 m-20 -72.62 -58.34 3.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.935 0.397 . . . . 0.0 110.836 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -104.89 132.98 50.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.077 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.2 pt -108.73 106.18 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.188 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 mp -65.44 -177.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.15 39.18 4.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.199 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -111.91 132.03 22.17 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.749 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.08 -14.29 42.91 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.453 2.102 . . . . 0.0 112.634 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -127.24 33.43 4.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 110.995 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.7 tp -82.38 140.17 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.4 m -67.84 131.49 45.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.099 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 82.6 m -63.11 -44.03 96.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.469 ' O ' ' C ' ' A' ' 77' ' ' HIS . 5.5 m-85 -101.46 13.92 33.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.282 0.563 . . . . 0.0 111.368 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.469 ' C ' ' O ' ' A' ' 76' ' ' PHE . 2.7 t60 -15.81 -67.99 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.631 -1.168 . . . . 0.0 112.894 -179.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -152.85 164.04 38.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.091 0.472 . . . . 0.0 111.831 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -132.71 136.87 46.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.285 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 56' ' ' THR . 6.1 m-85 -119.31 130.99 55.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.022 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.432 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 10.0 m-70 -96.23 116.32 28.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.888 0.375 . . . . 0.0 111.226 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.48 109.42 21.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.714 179.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.3 tp -122.18 140.09 52.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.165 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -102.01 134.87 44.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.807 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.4 ttt -128.64 138.64 52.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.032 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -107.09 128.42 54.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -140.0 126.79 23.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.094 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.8 t0 73.58 -58.87 0.58 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.072 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -168.8 -42.58 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.832 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -79.21 179.88 7.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.676 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -130.59 128.0 40.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.075 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -109.79 138.5 46.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.638 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -114.05 127.27 55.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.198 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -109.58 141.64 41.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.512 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.455 ' CD1' ' CE1' ' A' ' 135' ' ' PHE . 4.4 mp -113.19 141.02 30.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.287 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.86 144.08 44.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.71 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 16.4 t -109.71 125.88 66.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.233 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 34.1 mt -130.11 144.39 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.012 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -117.34 138.99 51.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.962 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.3 pttt -161.19 53.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -152.76 -176.44 5.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.35 -30.22 13.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.23 -36.72 73.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.253 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 87.05 150.88 19.19 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.373 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.4 m -131.93 125.84 32.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 110.82 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -110.93 117.2 32.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.2 tp -111.58 137.16 45.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.444 0.64 . . . . 0.0 111.228 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.5 m120 58.53 31.69 21.3 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.787 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.61 13.04 74.42 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.825 -0.702 . . . . 0.0 113.028 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -128.3 147.74 50.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.777 0.322 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -74.92 143.03 43.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.989 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.9 mt -74.61 135.42 42.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 12.3 m -158.11 -46.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -20.09 59.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.22 152.45 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.792 0.33 . . . . 0.0 110.832 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.7 t70 60.66 51.64 4.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.77 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.63 139.18 45.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 8.0 tp -98.5 120.48 47.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.2 tt -103.01 130.24 50.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.096 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.73 178.1 4.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.623 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.446 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 3.3 p-10 -57.03 145.05 31.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 68.19 36.5 85.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.397 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.54 135.35 49.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.767 0.317 . . . . 0.0 110.807 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -107.08 128.14 54.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.413 HG22 ' CE1' ' A' ' 127' ' ' PHE . 2.1 mp -118.86 134.43 62.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.056 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 29.7 t -110.49 124.37 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.17 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.427 ' HB3' ' CE1' ' A' ' 77' ' ' HIS . 48.7 m-85 -109.3 114.37 28.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 96.83 -71.08 0.78 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.593 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.05 -36.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.701 0.286 . . . . 0.0 111.057 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.01 -36.67 5.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.58 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 8.6 m -62.6 108.82 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.888 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 40.0 t -121.58 137.76 54.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.606 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.47 ' CD1' ' N ' ' A' ' 133' ' ' PHE . 1.5 m-85 -135.64 156.0 49.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.975 0.416 . . . . 0.0 111.241 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.3 tt -121.31 140.05 52.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.641 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.455 ' CE1' ' CD1' ' A' ' 95' ' ' ILE . 34.3 t80 -116.49 141.5 48.09 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 122.016 0.912 . . . . 0.0 111.925 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -154.57 148.41 25.55 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 113.761 -1.563 . . . . 0.0 110.831 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.446 ' CE2' ' HB3' ' A' ' 121' ' ' ASN . 7.7 m-85 -76.46 139.8 40.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.022 0.439 . . . . 0.0 110.817 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.415 ' HB1' ' CE1' ' A' ' 36' ' ' HIS . . . . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.973 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 . . . . . 0 CA--C 1.538 0.487 0 N-CA-C 110.563 -0.162 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.415 ' N ' HG21 ' A' ' 51' ' ' THR . 1.0 OUTLIER -140.26 141.15 35.85 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.772 0.32 . . . . 0.0 110.512 179.587 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 54.1 t -60.09 145.12 47.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.407 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -146.93 -46.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.494 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -157.65 174.69 35.06 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.14 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.412 ' CD2' ' O ' ' A' ' 48' ' ' VAL . 27.3 m80 -139.35 165.28 27.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.989 0.424 . . . . 0.0 111.139 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mt -127.34 110.63 13.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.566 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.02 121.4 46.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 111.137 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -90.47 129.75 36.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.839 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 mp -98.07 106.36 18.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.91 0.386 . . . . 0.0 110.625 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.514 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 6.2 mt -124.65 140.37 35.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.66 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.514 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 55.8 Cg_endo -73.25 73.95 3.16 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.073 1.849 . . . . 0.0 111.947 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 159.69 -24.19 0.3 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.492 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -177.0 154.32 1.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.78 0.324 . . . . 0.0 110.813 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -109.85 157.06 19.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -133.31 135.98 45.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.782 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -113.11 135.07 54.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.087 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.412 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 25.9 t -118.94 149.62 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -100.84 132.49 46.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.033 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 33.2 mm -116.09 115.11 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.415 HG21 ' N ' ' A' ' 32' ' ' THR . 0.5 OUTLIER -102.57 168.09 9.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.5 179.731 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -76.96 62.67 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.983 0.421 . . . . 0.0 110.44 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.579 ' C ' ' H ' ' A' ' 55' ' ' VAL . 7.3 ttt85 -84.0 1.66 42.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.877 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.437 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 1.4 m-20 71.31 -38.19 0.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.579 ' H ' ' C ' ' A' ' 53' ' ' ARG . 66.6 t -137.49 134.44 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.18 179.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 80' ' ' PHE . 48.3 m -125.46 119.96 29.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.905 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.401 ' HB ' ' HA ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -103.84 132.76 49.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.956 0.408 . . . . 0.0 111.14 -179.524 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.419 HD13 ' CD2' ' A' ' 80' ' ' PHE . 5.2 mp -115.6 119.75 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.6 -126.51 1.27 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.559 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.403 ' HB2' HG22 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -124.46 -28.96 3.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.633 0.254 . . . . 0.0 111.398 -179.779 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.9 137.9 6.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.915 0.388 . . . . 0.0 111.363 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -30.08 71.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 76.7 p -74.99 -22.9 58.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.233 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.401 ' HA ' ' HB ' ' A' ' 57' ' ' THR . 98.1 m -54.43 159.54 2.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.778 0.323 . . . . 0.0 111.089 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -79.99 -49.95 11.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.961 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.0 t -125.04 106.81 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.435 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.9 pt -108.91 129.01 64.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.734 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.444 ' O ' ' CB ' ' A' ' 69' ' ' SER . 3.3 pp -175.53 -163.41 0.12 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.243 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 68' ' ' LEU . 7.4 t 85.59 -68.52 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.087 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 176.24 167.91 0.41 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.07 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -63.93 -13.75 39.15 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.842 2.361 . . . . 0.0 112.637 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -98.67 24.82 7.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.784 0.326 . . . . 0.0 110.829 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.404 ' CD1' ' CB ' ' A' ' 69' ' ' SER . 2.2 tp -92.66 139.5 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.408 ' HB2' ' CG ' ' A' ' 77' ' ' HIS . 0.6 OUTLIER -53.36 131.18 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.306 -179.669 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.6 -44.03 79.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.618 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.462 ' O ' ' C ' ' A' ' 77' ' ' HIS . 64.2 m-85 -102.84 13.75 33.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.286 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.462 ' C ' ' O ' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -17.17 -70.88 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.556 -1.202 . . . . 0.0 112.705 -179.579 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.434 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . . . -152.01 164.02 38.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.98 0.419 . . . . 0.0 111.741 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -132.84 133.12 42.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.624 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 56' ' ' THR . 28.9 m-85 -119.44 122.76 42.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.615 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.437 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 6.9 m-70 -94.83 116.38 28.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.937 0.398 . . . . 0.0 111.365 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.7 tp -106.61 109.65 21.63 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.644 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.38 140.18 52.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -108.29 126.23 52.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.723 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.19 135.38 43.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.975 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -107.03 135.95 47.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.7 t -140.04 122.47 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.5 t0 74.03 -58.87 0.57 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.079 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -173.94 -40.83 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.777 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -92.8 108.29 19.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.715 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -82.95 140.22 32.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.009 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -114.42 154.27 28.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.819 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -108.52 120.09 41.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.81 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 mp -108.08 134.47 50.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.766 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.9 mp -119.33 137.97 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.225 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.93 144.09 43.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.799 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.4 t -105.68 133.95 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.291 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.414 HD11 ' CD2' ' A' ' 81' ' ' HIS . 36.0 mt -130.04 120.95 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.02 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.6 127.95 55.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.945 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -158.64 55.86 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -143.49 177.69 8.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.68 -24.42 10.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.54 -28.8 22.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.443 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 106.26 129.92 6.44 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.515 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 88.5 m -132.06 124.72 29.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.853 0.359 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -120.96 114.94 22.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.9 tp -117.27 137.38 51.38 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-O 121.458 0.646 . . . . 0.0 111.439 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 61.81 26.89 16.37 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.64 12.91 74.41 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.893 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -133.98 152.08 51.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.792 0.33 . . . . 0.0 110.784 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.45 133.32 42.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.5 tt -75.08 124.33 26.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 11.1 p -121.33 -44.76 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.29 148.8 22.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -87.48 166.52 14.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.991 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 25.8 t0 66.43 59.27 0.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.029 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.03 139.05 32.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.695 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.416 ' O ' ' CG2' ' A' ' 118' ' ' ILE . 8.4 tp -98.57 114.59 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-O 121.09 0.472 . . . . 0.0 111.312 -179.653 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 10.0 tt -103.12 136.48 42.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.13 178.14 7.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 22.0 p-10 -54.51 148.09 12.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.084 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 65.49 39.21 95.52 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.408 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -108.14 125.58 51.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 79.8 mtt-85 -88.68 117.42 27.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.8 mt -114.83 134.91 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 131' ' ' CYS . 34.3 t -124.0 133.05 70.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.372 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 78' ' ' ALA . 10.1 m-85 -122.83 135.62 54.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.822 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 84.49 -69.11 3.39 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.301 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 168.95 -33.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.747 0.308 . . . . 0.0 111.092 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.49 -31.76 8.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.431 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 126' ' ' VAL . 11.0 m -57.86 107.64 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.03 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 37.6 m -124.2 116.53 22.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -142.16 156.52 45.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.983 0.421 . . . . 0.0 111.225 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 6.5 tt -116.96 139.28 50.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.702 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -101.42 141.58 34.08 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.982 0.896 . . . . 0.0 111.902 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.34 146.42 23.66 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 113.873 -1.512 . . . . 0.0 110.844 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 121' ' ' ASN . 0.8 OUTLIER -76.56 139.59 40.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.377 . . . . 0.0 110.743 179.715 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.118 -179.932 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.4 ' HB2' HG22 ' A' ' 51' ' ' THR . 31.1 m-85 . . . . . 0 CA--C 1.536 0.411 0 N-CA-C 110.861 -0.052 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.31 129.45 23.63 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.786 0.327 . . . . 0.0 110.504 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -74.39 114.97 13.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.272 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -124.6 -46.44 1.88 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.302 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -123.91 169.77 16.07 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.887 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.409 ' ND1' ' CB ' ' A' ' 138' ' ' ALA . 17.8 m80 -131.08 166.06 21.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.141 0.496 . . . . 0.0 111.374 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.66 116.41 20.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.527 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.6 t -95.94 121.8 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 111.206 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -90.13 116.05 27.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.76 106.83 18.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.806 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.52 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 35.6 mt -124.13 140.84 35.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.98 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.52 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 60.3 Cg_endo -75.07 89.25 1.18 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.24 1.96 . . . . 0.0 111.872 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.23 21.26 5.95 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.262 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.9 tttp 175.21 163.03 0.26 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.736 0.303 . . . . 0.0 110.57 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -145.98 150.0 35.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -143.33 137.06 28.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.99 123.09 49.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 19.7 t -111.6 139.9 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.223 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -82.0 134.22 35.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 28.0 mm -112.03 130.88 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.333 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.4 HG22 ' HB2' ' A' ' 31' ' ' TYR . 0.6 OUTLIER -108.96 167.96 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.605 179.785 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -67.27 -98.09 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.502 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.606 ' C ' ' H ' ' A' ' 55' ' ' VAL . 10.2 ttt85 73.73 -1.58 3.02 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.9 m120 70.28 -33.0 0.25 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.738 0.304 . . . . 0.0 110.185 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.606 ' H ' ' C ' ' A' ' 53' ' ' ARG . 67.6 t -135.95 145.18 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 80' ' ' PHE . 31.5 m -125.42 132.73 52.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.238 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.404 ' HB ' ' HA ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -107.38 129.76 54.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.858 0.361 . . . . 0.0 110.708 179.822 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.9 mt -123.79 133.96 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.287 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 162.49 -119.08 0.86 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.542 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.36 -33.07 2.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.717 0.294 . . . . 0.0 111.28 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.78 133.46 17.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.266 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -63.73 -31.01 72.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.1 p -69.91 -23.99 63.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.114 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.404 ' HA ' ' HB ' ' A' ' 57' ' ' THR . 90.6 m -57.64 155.95 9.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.411 ' HB3' HG21 ' A' ' 56' ' ' THR . 8.2 t0 -66.85 -51.04 60.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.96 0.41 . . . . 0.0 110.853 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.66 111.51 32.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.092 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.7 mp -94.44 127.8 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.2 mp -83.2 -176.71 6.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.9 m -123.26 28.62 7.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.354 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.421 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 2.4 tp10 -102.62 132.73 21.0 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.591 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.04 -13.72 41.13 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.643 2.229 . . . . 0.0 112.914 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -123.62 38.62 4.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.718 0.294 . . . . 0.0 111.23 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.421 ' HB ' ' HB3' ' A' ' 70' ' ' GLU . 5.6 tp -91.18 134.24 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.172 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.1 t -67.51 131.81 46.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.987 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 61.4 m -59.52 -41.43 89.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.813 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.477 ' O ' ' C ' ' A' ' 77' ' ' HIS . 0.6 OUTLIER -104.01 13.76 31.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.182 0.515 . . . . 0.0 111.408 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.477 ' C ' ' O ' ' A' ' 76' ' ' PHE . 2.8 t60 -15.17 -67.8 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.655 -1.157 . . . . 0.0 112.891 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.86 164.02 39.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 111.506 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 56' ' ' THR . 3.7 pm0 -132.91 134.37 44.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.909 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 56' ' ' THR . 5.6 m-85 -119.29 131.2 55.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.482 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.411 ' CE1' HG21 ' A' ' 55' ' ' VAL . 9.6 m-70 -94.68 116.12 28.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.968 0.413 . . . . 0.0 111.425 -179.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.86 109.89 21.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.701 179.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 mt -121.47 140.08 52.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.09 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -109.29 127.85 54.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.784 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.6 ttm -120.77 143.09 49.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -101.26 117.75 35.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.3 t -140.08 131.12 31.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.25 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.19 49.16 11.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 55.6 26.46 9.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.093 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -132.29 -175.74 3.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.743 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -130.72 127.89 39.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.082 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.17 128.01 55.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.722 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -109.92 120.01 41.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.038 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.1 tp -123.69 135.26 53.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.537 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.452 ' CD1' ' CE1' ' A' ' 135' ' ' PHE . 3.9 mp -113.82 141.06 31.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 0.0 111.487 -179.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.403 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -114.49 144.15 43.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.51 179.781 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.441 ' CG2' ' CE2' ' A' ' 80' ' ' PHE . 11.8 t -115.36 122.94 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 111.32 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.7 mp -130.05 143.35 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.984 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -117.05 139.01 51.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.51 21.31 16.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.3 m 57.28 73.9 0.44 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.823 0.344 . . . . 0.0 111.007 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -162.1 122.38 2.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 67.88 10.69 7.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.799 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 53.01 99.93 0.01 OUTLIER Glycine 0 C--N 1.333 0.368 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.864 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 76.6 m -103.97 122.93 46.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.313 . . . . 0.0 110.668 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -110.05 137.28 48.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.971 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.1 tp -123.12 137.29 57.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.454 0.645 . . . . 0.0 111.241 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 63.21 29.67 15.97 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.764 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.66 10.75 72.04 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.861 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -134.06 152.04 51.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.839 0.352 . . . . 0.0 110.839 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 41.2 mtm-85 -60.99 139.24 58.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 tt -89.86 121.56 32.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.963 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 13.7 p -117.0 -38.51 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.106 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -59.53 170.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.82 -32.05 8.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -122.03 80.11 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.077 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.404 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 2.9 t80 -84.07 139.31 32.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.714 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 8.2 tp -98.5 119.39 46.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.065 0.459 . . . . 0.0 111.429 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.3 tp -103.08 135.19 45.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -133.04 178.14 7.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.469 ' HB2' ' CE2' ' A' ' 137' ' ' TYR . 1.4 t30 -56.59 137.14 54.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.034 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 74.71 45.37 22.49 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.429 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -116.36 127.05 54.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 111.022 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 20.3 mtt-85 -87.73 122.67 31.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.416 ' CG2' ' CZ ' ' A' ' 127' ' ' PHE . 3.2 mp -119.49 121.94 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.4 t -108.08 123.95 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.064 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.428 ' HB3' ' CE1' ' A' ' 77' ' ' HIS . 97.1 m-85 -114.08 122.77 47.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.793 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 92.23 -69.78 1.79 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.391 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt 173.62 -34.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.739 0.304 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 93.3 p -111.58 -36.78 5.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.283 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 8.9 m -64.46 108.06 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 111.054 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.5 t -124.11 121.0 33.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -123.4 156.04 36.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.98 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 4.1 tp -117.28 140.02 50.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.452 ' CE1' ' CD1' ' A' ' 95' ' ' ILE . 21.2 t80 -106.32 141.6 37.38 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-O 121.838 0.827 . . . . 0.0 111.667 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.48 157.32 38.22 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 113.979 -1.464 . . . . 0.0 111.192 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 121' ' ' ASN . 4.3 m-85 -86.09 140.02 30.61 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.96 0.409 . . . . 0.0 110.627 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.409 ' CB ' ' ND1' ' A' ' 36' ' ' HIS . . . . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.068 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 . . . . . 0 CA--C 1.537 0.454 0 N-CA-C 110.692 -0.114 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.23 128.72 22.77 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.742 0.306 . . . . 0.0 110.382 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -64.95 114.94 4.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.04 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.99 -40.21 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.782 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -140.86 170.02 24.68 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.427 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.421 ' CE1' ' HB1' ' A' ' 138' ' ' ALA . 31.2 m80 -131.84 164.33 26.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.86 0.362 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -123.78 134.77 53.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.662 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 133' ' ' PHE . 29.1 t -111.33 121.81 64.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -89.51 127.49 35.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.014 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 mp -93.42 106.54 18.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.907 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.417 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 39.4 mt -124.31 139.48 32.96 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.417 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 88.1 Cg_exo -47.31 92.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.419 2.079 . . . . 0.0 112.176 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.47 -111.69 3.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.075 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -57.34 143.04 41.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.757 0.313 . . . . 0.0 110.843 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -108.18 165.52 11.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -133.88 139.15 46.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -113.04 133.24 55.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.5 t -123.76 151.04 28.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.167 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -105.03 124.52 49.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.793 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.7 tt -116.12 132.17 66.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.013 0.435 . . . . 0.0 111.519 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.8 167.99 10.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.421 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.92 -87.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.282 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.564 ' C ' ' H ' ' A' ' 55' ' ' VAL . 12.0 ttt-85 72.88 -2.09 2.81 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 179.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.42 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 0.9 OUTLIER 71.23 -38.43 0.42 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.11 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.564 ' H ' ' C ' ' A' ' 53' ' ' ARG . 70.7 t -137.15 141.76 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.074 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 80' ' ' PHE . 83.2 m -125.3 128.37 48.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.087 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.04 141.87 35.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.985 0.421 . . . . 0.0 111.274 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.407 HG21 HD11 ' A' ' 58' ' ' ILE . 6.1 mm -117.58 126.07 74.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.088 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 156.94 -160.32 30.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.692 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.87 -13.12 21.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.533 0.206 . . . . 0.0 111.193 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.84 149.98 2.37 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.839 0.352 . . . . 0.0 111.13 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -71.31 -31.35 67.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.786 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.33 -18.1 43.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 3.3 m -54.07 155.22 3.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.77 0.319 . . . . 0.0 111.136 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.96 -57.93 3.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.729 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 t -110.58 127.57 67.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.156 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.5 pt -95.12 105.01 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.011 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.01 -177.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.996 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 p -123.37 30.24 6.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.03 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.63 123.38 38.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.814 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -55.98 -18.99 24.29 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.498 2.132 . . . . 0.0 112.78 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -126.16 39.57 3.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.771 0.319 . . . . 0.0 111.187 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.418 HD13 ' CE1' ' A' ' 77' ' ' HIS . 3.9 tp -77.55 146.63 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.258 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.42 ' HB3' ' CG ' ' A' ' 77' ' ' HIS . 32.9 t -75.23 130.93 39.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.7 m -61.45 -43.88 98.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 77' ' ' HIS . 98.3 m-85 -99.83 14.05 31.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.277 0.56 . . . . 0.0 111.575 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -20.25 -56.61 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.94 -179.288 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -152.68 163.95 38.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.102 0.477 . . . . 0.0 111.909 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -141.64 122.06 14.06 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.51 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 56' ' ' THR . 74.4 m-85 -119.32 131.21 55.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.141 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -94.73 116.23 28.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.754 0.311 . . . . 0.0 110.517 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.42 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 0.9 OUTLIER -106.59 109.54 21.48 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.137 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.11 140.05 53.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -106.33 135.63 47.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.75 120.15 9.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -83.94 133.62 34.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.2 t -140.01 124.63 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.019 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 74.48 -57.74 0.6 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.099 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.86 -41.78 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.813 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -83.38 155.41 23.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.712 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -85.71 127.92 34.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.997 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.72 115.13 29.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.668 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -113.97 125.25 53.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.957 0.408 . . . . 0.0 111.152 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.16 142.61 44.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.467 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.4 mp -124.66 141.23 45.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.847 0.356 . . . . 0.0 111.393 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -114.01 144.03 43.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.491 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 117' ' ' TYR . 43.9 t -109.47 122.48 64.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.011 0.434 . . . . 0.0 111.518 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.9 mp -130.26 120.88 50.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.469 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -111.83 132.01 54.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.136 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.36 60.01 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.909 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.73 -175.5 2.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -112.19 -34.54 5.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -61.18 -71.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.255 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 161.03 127.29 0.88 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.499 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 61.0 m -131.98 125.96 32.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.816 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -120.98 129.86 53.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.3 tp -118.92 137.27 53.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 121.441 0.639 . . . . 0.0 111.259 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 61.21 27.57 17.29 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.81 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.7 9.8 70.5 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.843 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -134.07 152.0 51.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -70.4 142.64 52.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.94 137.15 45.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 12.0 p -111.99 -31.6 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.055 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -122.26 174.69 6.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.773 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.91 32.48 5.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -148.05 56.23 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.053 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.496 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 2.0 t80 -84.06 139.61 32.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 8.1 tp -97.99 121.39 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.063 0.459 . . . . 0.0 111.352 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.7 tt -102.97 135.83 43.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.082 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.54 177.0 7.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.707 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.428 ' HB2' ' CE2' ' A' ' 137' ' ' TYR . 33.3 t-20 -54.59 136.61 44.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 76.11 47.89 10.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -114.72 128.11 56.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.819 0.342 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -103.99 131.3 51.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.407 HG21 ' CE2' ' A' ' 127' ' ' PHE . 13.3 tt -131.06 138.05 54.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 34.6 t -114.53 123.91 70.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.215 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.419 ' HB3' ' CE1' ' A' ' 77' ' ' HIS . 61.0 m-85 -106.77 141.83 37.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.836 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.87 -64.21 1.21 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.483 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 16.1 pttp 175.8 -49.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.74 0.305 . . . . 0.0 111.235 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 84.9 p -100.32 -35.38 9.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.442 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 30.6 m -57.08 108.02 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 111.061 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.8 m -124.02 134.64 53.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.776 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.402 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 20.4 m-85 -140.39 156.1 46.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.975 0.417 . . . . 0.0 111.141 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.6 tt -126.36 140.1 52.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.794 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -106.35 141.88 36.94 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 122.018 0.914 . . . . 0.0 111.854 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -154.15 134.73 13.54 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 113.914 -1.494 . . . . 0.0 110.675 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.508 ' CD1' ' N ' ' A' ' 137' ' ' TYR . 0.5 OUTLIER -68.31 139.59 55.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.964 0.411 . . . . 0.0 110.75 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.421 ' HB1' ' CE1' ' A' ' 36' ' ' HIS . . . . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.43 ' N ' HG21 ' A' ' 51' ' ' THR . 3.2 m-85 . . . . . 0 CA--C 1.533 0.327 0 CA-C-O 120.334 0.111 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.422 ' N ' HG21 ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.38 128.86 22.73 Favored 'General case' 0 C--O 1.231 0.13 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.592 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.44 119.16 8.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.892 0.377 . . . . 0.0 111.08 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.44 -38.97 3.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.661 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -155.15 -169.3 19.52 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.296 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -146.38 162.1 38.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.971 0.415 . . . . 0.0 110.758 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 mt -127.23 107.87 10.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.748 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.3 t -98.83 121.89 49.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -89.75 120.83 31.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 mp -86.62 106.78 17.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.52 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 2.8 mp -124.12 140.18 34.27 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.831 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.52 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 58.8 Cg_endo -74.5 89.16 1.11 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.151 1.9 . . . . 0.0 112.123 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.81 1.89 6.83 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.737 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.3 tttp 177.93 167.98 0.73 Allowed 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.788 0.327 . . . . 0.0 110.741 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -138.45 158.38 44.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.828 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.92 122.66 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.072 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -113.0 125.24 54.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.6 t -124.04 139.88 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.21 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -86.03 130.7 34.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.712 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.9 tt -116.12 132.06 66.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.042 0.449 . . . . 0.0 111.519 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.43 HG21 ' N ' ' A' ' 31' ' ' TYR . 0.5 OUTLIER -102.1 168.14 9.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.416 179.781 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.09 -91.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.591 ' C ' ' H ' ' A' ' 55' ' ' VAL . 10.6 ttt180 72.8 -2.9 2.54 Favored 'General case' 0 N--CA 1.462 0.156 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.7 m120 70.4 -33.2 0.26 Allowed 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.591 ' H ' ' C ' ' A' ' 53' ' ' ARG . 64.8 t -136.17 138.59 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-O 121.041 0.448 . . . . 0.0 110.997 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 80' ' ' PHE . 53.3 m -125.33 124.46 41.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.181 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.402 ' HB ' ' HA ' ' A' ' 64' ' ' CYS . 0.1 OUTLIER -103.82 125.21 50.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 110.793 -179.866 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.453 ' CG2' ' CE2' ' A' ' 127' ' ' PHE . 3.4 mp -107.84 125.02 64.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.18 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.63 -142.62 7.74 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.48 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.409 ' HB2' ' CG2' ' A' ' 73' ' ' ILE . 3.3 ttt85 -112.07 -23.74 10.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.717 0.294 . . . . 0.0 111.146 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.6 t -47.31 142.53 3.94 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.196 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.91 -22.43 66.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.7 m -86.22 -17.71 34.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.456 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.402 ' HA ' ' HB ' ' A' ' 57' ' ' THR . 2.1 m -53.98 134.87 43.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.695 0.283 . . . . 0.0 111.117 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.417 ' HB3' ' CG2' ' A' ' 56' ' ' THR . 8.0 t70 -61.51 -44.8 96.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.904 0.383 . . . . 0.0 110.627 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.7 t -124.79 113.6 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.007 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.5 pt -96.01 130.04 45.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.221 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.13 -177.2 5.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.81 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.2 m -120.64 59.26 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.21 121.31 22.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.782 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.46 -21.86 25.42 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.456 2.104 . . . . 0.0 112.611 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -123.01 35.02 4.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.069 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.409 ' CG2' ' HB2' ' A' ' 60' ' ' ARG . 2.4 tp -76.72 132.14 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.254 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.3 m -62.47 131.66 49.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.285 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.9 m -67.74 -43.93 78.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.905 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.462 ' O ' ' C ' ' A' ' 77' ' ' HIS . 3.5 m-85 -96.42 13.8 26.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.221 0.534 . . . . 0.0 111.334 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.462 ' C ' ' O ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -17.25 -73.71 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.572 -1.195 . . . . 0.0 112.952 -179.358 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -159.79 164.06 34.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.009 0.433 . . . . 0.0 111.917 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -126.6 131.4 51.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.554 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.468 ' O ' ' N ' ' A' ' 56' ' ' THR . 5.0 m-85 -119.32 131.19 55.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.742 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -94.77 116.26 28.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.874 0.369 . . . . 0.0 111.257 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -106.79 109.53 21.46 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.765 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.22 139.53 53.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.18 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -129.08 128.86 44.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.766 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.28 132.43 20.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.982 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -107.07 138.29 43.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.764 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.4 p -140.04 137.79 38.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.208 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 67.93 -67.73 0.18 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.031 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 178.75 39.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.793 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -152.28 131.13 12.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.765 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -82.93 127.98 34.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.2 ttm-85 -115.79 110.94 19.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.625 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -112.77 124.98 53.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.6 mp -131.98 137.24 47.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.712 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.4 mp -118.85 137.7 51.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.272 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -114.58 144.11 43.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.711 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.468 ' CG1' ' CZ ' ' A' ' 80' ' ' PHE . 21.7 t -107.32 135.08 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.451 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.6 mm -127.59 120.89 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.832 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -106.79 138.98 41.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.0 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -171.45 45.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -120.04 -176.31 3.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.97 -30.11 8.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.98 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -58.21 -75.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.224 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.58 128.69 2.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.474 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.0 m -127.6 123.09 34.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 0.0 110.799 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 111' ' ' ARG . 8.0 m-85 -109.25 130.67 55.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.8 tp -123.08 137.27 57.08 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-O 121.484 0.659 . . . . 0.0 111.367 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 60.22 35.5 20.96 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.791 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.75 13.14 74.95 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.83 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -133.82 151.63 51.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.862 0.363 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.417 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -69.16 142.92 54.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mt -70.93 120.3 16.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 11.4 p -122.81 -43.83 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -69.32 175.05 4.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.49 -29.26 8.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.047 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -118.84 76.27 1.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.951 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -84.03 139.14 32.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.405 ' O ' ' CG2' ' A' ' 118' ' ' ILE . 8.5 tp -98.41 116.43 41.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.1 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.466 HD23 ' CD2' ' A' ' 135' ' ' PHE . 3.8 tt -103.03 131.63 49.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.042 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.96 178.05 6.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.782 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 4.4 p-10 -61.37 141.26 57.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.95 51.49 23.69 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.515 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -121.84 127.17 50.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.811 0.338 . . . . 0.0 110.998 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -81.01 128.6 33.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.733 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.411 ' HB ' ' CE1' ' A' ' 133' ' ' PHE . 2.9 mp -127.24 138.01 56.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.2 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 38.0 t -123.35 133.94 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.079 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.453 ' CE2' ' CG2' ' A' ' 58' ' ' ILE . 5.2 m-85 -123.39 138.32 54.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.014 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 78.9 -65.82 3.47 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.483 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.9 pttm 172.42 -35.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.72 0.295 . . . . 0.0 111.036 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.19 -39.14 4.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.55 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 32.0 m -55.96 106.93 0.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.891 0.377 . . . . 0.0 111.197 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.4 m -124.3 128.09 48.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.85 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.411 ' CE1' ' HB ' ' A' ' 125' ' ' ILE . 16.2 p90 -141.98 156.05 45.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.917 0.389 . . . . 0.0 111.169 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 4.3 tp -113.42 140.05 48.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.466 ' CD2' HD23 ' A' ' 119' ' ' LEU . 65.3 t80 -102.13 141.7 34.55 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.972 0.891 . . . . 0.0 111.82 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -154.35 151.75 29.42 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 113.874 -1.512 . . . . 0.0 110.802 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.439 ' CD1' ' N ' ' A' ' 137' ' ' TYR . 0.8 OUTLIER -82.74 139.81 33.4 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.009 0.433 . . . . 0.0 110.877 179.803 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.153 -179.889 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.843 0.354 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.55 168.28 20.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -136.19 32.52 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -150.84 128.98 11.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.14 154.13 42.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.4 p 59.25 -179.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -118.84 115.96 25.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.426 ' CB ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -94.68 -54.09 0.23 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.083 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.426 ' HD3' ' CB ' ' A' ' 26' ' ' LYS . 32.5 Cg_exo -57.85 159.01 18.8 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.444 2.096 . . . . 0.0 112.323 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.49 115.34 2.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.1 m -158.68 173.55 16.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 60.56 45.3 10.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.45 ' N ' HG21 ' A' ' 51' ' ' THR . 0.5 OUTLIER -57.92 -94.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.049 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 51' ' ' THR . 0.7 OUTLIER -140.32 129.82 24.1 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.747 0.308 . . . . 0.0 110.598 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.0 t -59.67 145.03 46.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.029 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -159.14 -58.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -134.25 171.5 22.17 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.788 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -140.6 164.87 29.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.905 0.383 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 mt -125.78 123.01 37.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.619 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -105.69 121.85 58.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.189 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -89.97 117.27 28.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.789 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -85.35 106.61 16.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.503 HD12 HG22 ' A' ' 41' ' ' ILE . 1.7 mt -124.18 141.15 36.53 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.612 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.496 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 60.8 Cg_endo -74.55 -2.29 12.22 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.233 1.956 . . . . 0.0 112.743 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -127.74 2.34 6.95 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.676 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.96 -164.53 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.752 0.31 . . . . 0.0 110.55 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -153.73 156.17 37.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.785 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -137.23 130.38 30.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -113.2 127.66 56.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.0 t -114.32 150.9 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.016 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -102.32 131.13 49.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.02 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.0 mm -110.79 123.45 66.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.45 HG21 ' N ' ' A' ' 31' ' ' TYR . 0.3 OUTLIER -104.05 168.38 9.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.242 -179.768 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -80.46 60.68 3.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.354 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.585 ' C ' ' H ' ' A' ' 55' ' ' VAL . 4.9 ttt180 -86.41 -0.38 55.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.843 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 1.5 t30 72.07 -35.16 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -178.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.585 ' H ' ' C ' ' A' ' 53' ' ' ARG . 67.5 t -137.14 134.05 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.555 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 80' ' ' PHE . 59.6 m -125.21 131.31 53.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.148 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.423 ' N ' ' HB2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.83 138.65 40.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.925 0.393 . . . . 0.0 111.287 -179.578 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.4 mp -129.42 127.03 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.055 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.11 -141.21 6.66 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.549 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.4 ' HB2' ' CG2' ' A' ' 73' ' ' ILE . 0.7 OUTLIER -101.7 -29.24 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.832 0.348 . . . . 0.0 111.038 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.26 123.43 12.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -27.58 66.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.9 m -69.89 -28.72 65.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.776 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.1 m -55.61 167.71 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.698 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.423 ' HB2' ' N ' ' A' ' 57' ' ' THR . 0.5 OUTLIER -70.97 -58.0 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.006 0.432 . . . . 0.0 110.692 179.807 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.4 t -112.31 120.54 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.078 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.1 pt -102.28 104.95 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.049 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 87.1 mt -67.65 -177.69 0.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.3 m -118.81 41.2 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.17 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.77 134.02 19.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.604 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.12 -13.95 41.6 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.488 2.125 . . . . 0.0 112.731 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -133.03 33.55 3.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.672 0.273 . . . . 0.0 111.19 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.4 ' CG2' ' HB2' ' A' ' 60' ' ' ARG . 5.2 tp -77.8 124.35 36.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.997 0.427 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.6 m -55.69 133.3 50.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.372 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 84.1 m -62.16 -43.72 98.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.716 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.469 ' O ' ' C ' ' A' ' 77' ' ' HIS . 4.5 m-85 -101.6 13.82 33.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.399 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.489 ' CD2' ' CD2' ' A' ' 127' ' ' PHE . 3.0 t60 -17.02 -65.02 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.681 -1.145 . . . . 0.0 112.702 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.416 ' HB3' ' CE2' ' A' ' 127' ' ' PHE . . . -155.98 163.98 39.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.138 0.494 . . . . 0.0 111.881 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -126.65 139.34 53.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.264 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' THR . 2.4 m-85 -119.46 130.34 55.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.725 0.297 . . . . 0.0 111.025 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.44 ' HB2' ' HB3' ' A' ' 96' ' ' ASN . 11.5 m170 -95.08 116.99 29.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.872 0.368 . . . . 0.0 111.137 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.39 109.43 21.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.422 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.1 tt -122.24 140.11 52.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.274 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -128.87 120.96 27.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.692 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.5 ttt -129.78 146.79 51.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -107.11 124.76 50.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.7 p -138.01 134.37 44.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 74.61 -58.38 0.58 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -174.74 -40.25 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.776 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -85.9 -176.41 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.738 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -118.47 127.99 54.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -109.03 118.15 36.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.695 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -107.93 143.24 36.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.197 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.6 mp -129.87 144.37 51.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.559 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.425 HG13 ' CE2' ' A' ' 135' ' ' PHE . 10.6 mm -121.01 137.54 54.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.241 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.44 ' HB3' ' HB2' ' A' ' 81' ' ' HIS . 25.5 t-20 -120.87 134.8 55.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.711 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.421 HG23 ' CZ ' ' A' ' 80' ' ' PHE . 13.4 t -102.2 131.94 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.17 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 31.6 mt -129.67 120.99 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.991 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -109.04 124.45 50.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -16.58 63.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.13 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m 68.47 99.63 0.06 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -168.97 -63.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -85.52 -69.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.254 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 154.29 109.18 0.34 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.464 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 52.3 m -121.8 126.77 49.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.765 0.317 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -118.5 130.09 55.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.001 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.2 tp -122.16 137.37 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.478 0.656 . . . . 0.0 111.219 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 62.25 29.36 17.38 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.79 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.76 13.09 74.98 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.844 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -133.58 152.12 51.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.829 0.347 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -71.07 139.61 50.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.2 tp -87.57 135.85 33.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 11.7 p -121.59 -42.55 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -76.36 162.8 27.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -106.71 30.38 6.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -160.52 63.36 0.32 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -84.11 137.8 33.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.712 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 8.4 tp -98.66 118.05 44.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-O 120.962 0.41 . . . . 0.0 111.446 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.431 HD22 ' CD2' ' A' ' 135' ' ' PHE . 0.8 OUTLIER -103.17 137.58 41.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.966 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.41 178.06 6.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.722 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.457 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 9.1 p30 -56.11 141.02 42.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.183 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.91 51.37 24.46 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.449 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.44 121.67 34.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 111.055 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -81.35 132.46 35.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.719 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.401 ' HB ' ' CE2' ' A' ' 133' ' ' PHE . 1.5 mp -127.6 138.05 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.419 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 22.0 t -123.88 123.95 68.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.887 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.489 ' CD2' ' CD2' ' A' ' 77' ' ' HIS . 3.1 m-85 -111.91 122.97 49.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.12 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 92.71 -70.19 1.63 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.558 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 175.57 -36.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.768 0.318 . . . . 0.0 111.091 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 84.1 p -108.34 -42.61 4.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.345 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 21.7 m -56.35 107.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.36 . . . . 0.0 111.064 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.19 128.23 48.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.811 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.401 ' CE2' ' HB ' ' A' ' 125' ' ' ILE . 13.3 p90 -142.14 155.16 45.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.066 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 11.0 tp -112.08 140.01 47.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.714 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.431 ' CD2' HD22 ' A' ' 119' ' ' LEU . 84.4 t80 -105.29 141.42 36.85 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.872 0.844 . . . . 0.0 111.995 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -154.48 140.73 18.57 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 113.818 -1.537 . . . . 0.0 110.67 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.457 ' CE2' ' HB3' ' A' ' 121' ' ' ASN . 12.8 m-85 -71.89 140.06 49.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.066 0.46 . . . . 0.0 110.615 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -91.56 -28.66 17.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 61.0 m 63.17 -79.79 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.061 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.5 t -157.69 -60.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 38.8 t -162.52 109.56 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 68.7 m -64.42 169.47 4.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.21 162.4 24.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.15 165.48 21.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 3.2 mp -102.64 24.97 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 CA-C-O 121.651 0.739 . . . . 0.0 111.257 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -86.49 -36.62 18.9 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.55 -1.204 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -130.2 32.23 4.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -126.93 89.16 2.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.35 149.9 33.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -113.58 104.22 12.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -90.85 145.08 25.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 9.3 m -81.86 120.68 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 15.0 t -171.51 -46.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 49.1 m -106.08 26.91 9.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 56.33 78.08 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.995 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.39 -45.05 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.816 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -134.77 -174.87 3.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 66.6 m -152.76 32.83 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 30.6 m120 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.813 0.339 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 29.3 mm -105.39 113.94 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -66.02 132.6 94.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -56.08 -165.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.466 2.11 . . . . 0.0 112.235 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -140.93 173.27 11.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -86.95 161.56 18.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 5.0 m -124.33 170.14 11.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.845 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.808 0.337 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 61.69 30.41 18.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.12 -43.73 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.165 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -156.9 145.36 19.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.966 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -117.47 -176.54 3.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.41 97.48 3.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -148.22 131.64 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -117.1 95.65 47.55 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -57.87 140.97 95.61 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.559 2.173 . . . . 0.0 112.208 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -70.76 67.63 0.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 98.0 p -178.12 -54.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 62.17 32.15 17.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.749 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.412 ' HB2' ' CG2' ' A' ' 51' ' ' THR . 28.2 m-85 -122.65 -123.09 0.27 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.582 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.24 129.82 24.22 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-O 120.76 0.314 . . . . 0.0 110.47 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.99 140.84 56.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.015 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tp -138.04 -45.78 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.803 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -159.78 -174.8 30.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.414 ' CD2' ' HA ' ' A' ' 49' ' ' GLU . 43.1 m80 -143.15 159.84 41.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.957 0.408 . . . . 0.0 110.996 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.28 108.3 10.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.55 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.5 t -99.81 121.82 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.323 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -90.15 131.67 35.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.751 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mp -97.99 106.89 19.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.7 mm -123.43 134.54 25.29 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.986 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -51.21 -25.57 17.76 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.52 2.147 . . . . 0.0 112.669 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.04 -27.2 29.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.611 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.3 tttm 176.32 -168.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.798 0.332 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -131.45 164.89 24.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.729 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.93 118.04 6.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -107.94 124.57 50.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.7 t -120.49 137.59 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.414 ' HA ' ' CD2' ' A' ' 36' ' ' HIS . 4.1 tm-20 -82.04 137.67 35.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.705 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.437 ' O ' HG22 ' A' ' 50' ' ' ILE . 2.3 tt -116.0 132.13 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.075 0.464 . . . . 0.0 111.351 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.412 ' CG2' ' HB2' ' A' ' 31' ' ' TYR . 0.5 OUTLIER -106.96 168.07 9.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.853 -179.77 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -74.28 64.78 1.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.516 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.577 ' C ' ' H ' ' A' ' 55' ' ' VAL . 13.8 ttt180 -80.42 -0.18 36.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.946 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.403 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 54.7 t30 71.81 -35.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -178.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.577 ' H ' ' C ' ' A' ' 53' ' ' ARG . 61.5 t -137.25 137.15 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 80' ' ' PHE . 0.3 OUTLIER -125.25 120.3 30.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.98 179.576 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.6 128.58 50.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.987 0.422 . . . . 0.0 111.243 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.417 ' CD1' ' N ' ' A' ' 58' ' ' ILE . 3.3 mp -115.52 126.1 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 165.74 -133.13 2.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.405 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.432 ' HB2' ' CG2' ' A' ' 73' ' ' ILE . 0.1 OUTLIER -117.43 -28.19 6.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.699 0.285 . . . . 0.0 111.203 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.402 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 0.1 OUTLIER -46.56 125.49 7.09 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.17 -179.742 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -55.38 -27.45 47.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.822 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 m -76.88 -23.41 52.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.201 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 69.4 m -54.13 160.23 1.63 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.723 0.297 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.434 ' HB3' HG23 ' A' ' 56' ' ' THR . 7.7 t0 -74.72 -56.34 4.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.12 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 58' ' ' ILE . 19.6 t -125.08 133.18 70.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.689 -179.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.8 pt -98.83 131.01 46.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.502 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.406 ' O ' ' HB ' ' A' ' 73' ' ' ILE . 0.3 OUTLIER -128.25 133.94 48.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 111.507 -179.519 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.595 ' O ' ' HB2' ' A' ' 70' ' ' GLU . 0.6 OUTLIER 67.52 -69.45 0.14 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.636 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.595 ' HB2' ' O ' ' A' ' 69' ' ' SER . 0.0 OUTLIER 98.73 -64.63 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.718 0 O-C-N 124.258 0.974 . . . . 0.0 112.15 179.415 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.586 ' HD3' ' HB3' ' A' ' 70' ' ' GLU . 35.8 Cg_exo -59.84 -40.06 66.57 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.057 1.838 . . . . 0.0 113.428 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -116.47 32.66 6.0 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.432 ' CG2' ' HB2' ' A' ' 60' ' ' ARG . 4.4 tp -108.97 131.43 59.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.954 0.407 . . . . 0.0 111.382 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 77' ' ' HIS . 66.3 m -78.27 134.09 37.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.182 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.402 ' CG2' ' HB2' ' A' ' 61' ' ' SER . 88.3 m -57.48 -32.77 67.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.781 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 77' ' ' HIS . 1.7 m-85 -112.11 14.05 20.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.417 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.463 ' CD2' ' CD1' ' A' ' 127' ' ' PHE . 12.3 t60 -27.15 -70.99 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.794 -1.094 . . . . 0.0 112.731 -179.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -147.79 164.07 34.77 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -135.75 130.54 34.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.984 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.455 ' CZ ' ' CG1' ' A' ' 97' ' ' VAL . 6.5 m-85 -119.3 131.18 55.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.143 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.403 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 13.9 m-70 -94.85 116.58 28.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.096 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.36 109.77 21.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 15.6 mt -122.12 140.03 53.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.961 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.37 135.6 54.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.819 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -151.99 144.51 24.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.977 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -101.03 128.72 46.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.1 p -139.7 135.13 39.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 t0 60.13 40.96 17.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.3 t30 60.2 31.26 20.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -142.23 158.2 44.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -86.52 127.94 34.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.97 117.66 31.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -110.33 124.19 51.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.996 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.3 mp -129.71 125.74 36.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.759 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.2 mp -112.96 137.19 46.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.226 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.01 125.5 54.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.645 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.455 ' CG1' ' CZ ' ' A' ' 80' ' ' PHE . 21.3 t -95.96 135.02 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.41 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.4 mm -121.01 143.66 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.823 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -105.47 116.76 32.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.011 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -143.69 31.15 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.793 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.422 ' OG ' ' CG ' ' A' ' 77' ' ' HIS . 16.8 m -102.96 161.08 14.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.037 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.85 -29.78 7.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.729 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -74.22 -63.83 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.277 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 167.57 134.58 1.73 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.634 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 90.0 m -132.12 122.96 26.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.614 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -118.56 124.7 48.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.041 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.0 tp -123.1 137.24 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.526 0.679 . . . . 0.0 111.321 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 59.27 27.83 16.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.789 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.63 9.27 69.17 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.814 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -134.07 152.06 51.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.805 0.336 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.37 133.89 47.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.12 141.47 40.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.761 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 15.9 m -154.74 153.55 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.301 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 70.77 6.76 5.97 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.616 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? 46.47 -169.79 0.01 OUTLIER 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.949 0.404 . . . . 0.0 111.344 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.1 t70 52.91 48.03 23.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.284 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -84.1 138.51 33.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.78 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 8.4 tp -98.63 119.24 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.339 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.417 HD21 ' CD2' ' A' ' 135' ' ' PHE . 5.0 tt -103.24 144.71 30.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -132.68 178.05 7.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.754 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 11.6 p-10 -61.01 147.97 41.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 66.83 43.01 92.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -112.92 136.36 52.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.32 . . . . 0.0 110.94 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.84 119.85 33.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.449 ' CG2' ' CZ ' ' A' ' 133' ' ' PHE . 2.3 mt -115.04 132.09 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.062 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 29.5 t -124.02 133.97 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.305 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.463 ' CD1' ' CD2' ' A' ' 77' ' ' HIS . 7.1 m-85 -118.16 142.66 47.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.53 -64.77 0.81 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.527 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 171.74 -37.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.795 0.331 . . . . 0.0 110.983 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 68.9 p -104.08 -43.15 5.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.331 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 79.6 m -53.17 104.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.851 0.358 . . . . 0.0 111.265 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.2 m -124.5 132.33 53.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.918 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.449 ' CZ ' ' CG2' ' A' ' 125' ' ' ILE . 2.6 p90 -142.04 156.23 45.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.218 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 5.9 tp -114.98 134.0 55.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.704 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.417 ' CD2' HD21 ' A' ' 119' ' ' LEU . 93.0 t80 -108.99 141.55 40.93 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 121.991 0.9 . . . . 0.0 111.757 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp -154.57 148.86 26.05 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-N 113.822 -1.535 . . . . 0.0 110.806 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.478 ' CD1' ' N ' ' A' ' 137' ' ' TYR . 1.0 OUTLIER -74.42 139.77 44.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.991 0.425 . . . . 0.0 110.717 179.715 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -128.52 99.39 5.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.173 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.1 m -144.04 -48.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 2.0 m -161.93 149.93 14.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.953 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 57.3 p -141.71 117.65 10.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 52.3 p -164.58 -44.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 1.1 p -84.54 146.67 27.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.01 -17.88 15.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 18.3 mt -100.21 25.04 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.354 0 CA-C-O 121.685 0.755 . . . . 0.0 111.508 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -159.64 32.56 0.19 Allowed 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -145.15 -47.62 0.23 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -130.75 34.84 4.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -132.89 120.29 21.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -148.95 -67.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -116.38 173.0 6.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 23.9 m -147.29 139.07 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.178 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 31.3 t -100.96 146.07 27.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 41.0 t -123.19 -44.9 2.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -137.98 154.55 49.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 1.1 m 60.33 101.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -125.1 31.59 5.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 48.4 t -145.78 31.52 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.934 179.942 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 t30 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.852 0.358 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 9.2 tp -147.65 150.64 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' TPO . . . . . 0.427 ' CG2' ' HG2' ' A' ' 60' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -114.82 156.46 44.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.715 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.48 -166.34 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.494 2.129 . . . . 0.0 112.158 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -125.44 -173.97 2.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.824 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -78.15 159.47 28.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.07 134.29 27.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.4 t . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.89 179.911 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.849 0.357 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.0 mmt85 -124.74 31.55 5.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -122.88 38.31 4.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -130.01 168.67 16.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 60.19 177.64 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -92.79 172.09 8.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -154.72 128.09 8.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.49 153.43 38.57 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.787 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.54 154.72 68.24 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.559 2.173 . . . . 0.0 112.304 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.1 m -67.39 95.77 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m -155.17 140.37 17.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.434 ' C ' ' CG ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -78.37 166.79 22.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.434 ' CG ' ' C ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER 62.53 120.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.44 0.638 . . . . 0.0 110.74 -179.626 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.3 131.5 42.74 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.636 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.8 t -59.99 120.62 10.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.004 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.43 -39.79 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.73 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.93 154.0 20.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.379 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.446 ' CE1' ' CB ' ' A' ' 138' ' ' ALA . 28.8 m80 -118.92 161.68 19.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 111.034 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.7 mt -126.64 119.17 26.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.777 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.95 121.95 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.065 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -90.11 133.99 34.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.5 mt -117.48 107.02 13.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.8 mp -123.16 138.92 30.63 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.074 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.11 90.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.512 2.141 . . . . 0.0 112.312 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.49 40.63 4.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 tttt 179.46 176.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 110.935 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -169.43 144.72 3.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -147.72 136.54 21.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -106.85 125.02 50.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.0 t -116.97 118.78 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.056 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.0 138.71 44.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.956 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 31.1 mm -113.93 125.23 71.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -104.61 167.8 9.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.797 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -76.3 63.52 1.94 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.093 0.473 . . . . 0.0 110.659 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.585 ' C ' ' H ' ' A' ' 55' ' ' VAL . 15.7 ttt180 -83.87 2.25 39.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.605 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 71.66 -36.87 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -179.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.585 ' H ' ' C ' ' A' ' 53' ' ' ARG . 67.0 t -137.33 138.33 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.095 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 80' ' ' PHE . 37.9 m -125.36 121.67 34.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.923 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.73 123.68 47.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.046 0.45 . . . . 0.0 111.031 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.3 mt -111.86 116.72 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.095 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.29 -149.88 11.07 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.415 ' HB2' ' CG2' ' A' ' 73' ' ' ILE . 0.8 OUTLIER -94.91 -25.73 16.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.655 0.264 . . . . 0.0 111.251 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.14 150.21 0.85 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.88 0.371 . . . . 0.0 111.368 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -39.14 61.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.749 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.07 -14.7 62.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.326 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 15.1 m -52.98 137.06 33.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.751 0.31 . . . . 0.0 111.122 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -61.2 -42.98 99.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.731 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -124.16 125.89 71.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.031 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.3 pt -100.65 127.17 54.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.04 -165.79 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.1 p -136.32 23.45 3.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.495 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -116.44 132.55 23.27 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-O 120.54 0.209 . . . . 0.0 110.838 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.35 -13.52 36.52 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.669 2.246 . . . . 0.0 113.155 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -106.44 29.53 6.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.67 0.271 . . . . 0.0 111.208 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.415 ' CG2' ' HB2' ' A' ' 60' ' ' ARG . 5.4 tp -89.26 126.36 42.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.938 0.399 . . . . 0.0 111.227 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.92 134.06 47.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.233 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 m -60.01 -31.5 69.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.838 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 77' ' ' HIS . 2.2 m-85 -112.05 14.03 20.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.259 0.552 . . . . 0.0 111.467 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.43 ' CE1' ' HB3' ' A' ' 127' ' ' PHE . 2.5 t-160 -24.37 -68.87 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.676 -1.147 . . . . 0.0 112.619 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -150.37 158.28 43.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.098 0.475 . . . . 0.0 111.984 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -130.27 133.38 46.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.272 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.462 ' CZ ' ' CG1' ' A' ' 97' ' ' VAL . 9.6 m-85 -119.31 131.06 55.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.132 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -95.57 116.36 28.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.918 0.389 . . . . 0.0 111.035 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.7 tp -106.51 109.74 21.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.1 mt -122.11 140.02 53.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.956 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -119.94 127.11 52.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.763 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.19 149.5 34.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.813 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -105.23 115.99 31.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.1 m -114.13 132.48 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 t70 74.87 -58.58 0.57 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.053 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -174.55 -39.74 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.88 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -86.52 157.2 19.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.786 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -86.89 129.54 34.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.067 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.37 126.15 53.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.732 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -110.95 124.51 52.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.161 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.6 mp -118.33 145.25 45.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.512 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.7 mp -127.26 141.04 47.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.854 0.359 . . . . 0.0 111.25 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.95 144.09 44.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.607 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.462 ' CG1' ' CZ ' ' A' ' 80' ' ' PHE . 21.2 t -114.29 127.71 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.295 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.5 mt -122.56 122.54 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.748 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -107.62 128.23 54.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.226 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.12 34.82 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.759 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.25 -168.84 2.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.959 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -109.96 -35.54 6.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -81.87 -54.22 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 137.47 150.07 5.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.688 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.428 ' CG2' ' CD1' ' A' ' 127' ' ' PHE . 90.3 m -132.09 139.03 48.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.727 0.298 . . . . 0.0 110.687 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -119.39 138.74 52.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.012 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.0 tp -122.93 137.39 56.57 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 CA-C-O 121.576 0.703 . . . . 0.0 111.224 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 60.85 30.65 19.78 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.63 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.74 12.1 73.97 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.841 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -134.04 146.35 50.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.845 0.355 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.98 131.11 40.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.15 143.76 29.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 17.7 m -112.27 -32.3 2.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -68.01 169.66 9.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.818 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.93 -30.13 7.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -99.97 66.46 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.949 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -84.1 139.25 32.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.708 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.416 ' C ' ' CD1' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -98.66 119.81 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 -179.669 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.2 tt -103.0 142.49 34.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.855 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -132.61 178.1 7.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.804 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.445 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 8.1 p30 -58.07 143.71 42.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.99 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 68.22 49.14 48.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.433 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.6 121.42 37.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.804 0.335 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 28.1 mtm180 -96.27 122.36 39.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.431 HG12 ' CE2' ' A' ' 127' ' ' PHE . 6.0 tt -120.86 137.88 53.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 22.7 t -114.81 124.97 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.295 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.431 ' CE2' HG12 ' A' ' 125' ' ' ILE . 96.9 m-85 -111.46 149.83 30.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.823 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.49 -64.43 0.81 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.528 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.6 -38.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.724 0.297 . . . . 0.0 111.065 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.0 p -113.49 -36.35 4.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.286 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 133' ' ' PHE . 99.6 m -54.88 107.58 0.31 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.172 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 38.2 t -124.1 131.93 53.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.412 ' CZ ' ' HB3' ' A' ' 131' ' ' CYS . 0.8 OUTLIER -132.49 156.01 47.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.987 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.7 tt -125.74 118.6 25.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.509 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -94.45 141.68 28.31 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 122.035 0.921 . . . . 0.0 112.099 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -154.31 149.53 27.01 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 113.821 -1.536 . . . . 0.0 110.672 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.509 ' CD1' ' N ' ' A' ' 137' ' ' TYR . 0.4 OUTLIER -83.81 139.37 32.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.371 . . . . 0.0 110.798 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.446 ' CB ' ' CE1' ' A' ' 36' ' ' HIS . . . -106.77 -38.0 6.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.099 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 49.6 m -96.6 101.35 12.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.4 p -176.66 -50.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 16.3 m -135.51 113.16 10.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.0 101.13 9.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 8.9 t -79.03 144.79 34.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.9 112.76 6.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 3.3 mp -115.01 24.95 4.5 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 CA-C-O 121.72 0.771 . . . . 0.0 111.351 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.76 87.67 2.73 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 114.575 -1.193 . . . . 0.0 110.854 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.99 129.69 40.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.44 121.98 36.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -94.24 88.72 5.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -106.75 -37.66 6.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -145.13 113.42 6.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 15.9 m -93.21 134.2 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 33.1 t -70.42 171.21 10.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.1 t -142.28 31.63 1.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -145.21 -66.58 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -175.01 115.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.68 107.31 10.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.72 152.4 21.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.76 0.314 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.6 pt -135.71 168.54 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.05 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -74.66 149.36 85.96 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.81 -167.76 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.543 2.162 . . . . 0.0 112.293 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -141.5 67.62 1.34 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 59.67 179.63 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 7.8 m -148.84 129.61 14.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.2 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.935 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.858 0.361 . . . . 0.0 111.244 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.03 -45.88 63.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.979 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -162.31 147.19 12.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.6 -44.95 1.65 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.6 mtt-85 -150.36 145.67 26.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.9 m -93.18 48.01 1.3 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.818 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -95.16 156.1 16.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -166.04 91.66 0.84 Allowed Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -57.99 146.6 86.51 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.527 2.151 . . . . 0.0 112.234 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.74 -58.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.7 p -102.81 -179.17 3.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -92.62 160.76 14.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.429 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 28.2 m-85 -93.09 -105.25 0.12 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.816 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.2 128.54 22.59 Favored 'General case' 0 C--O 1.23 0.06 0 CA-C-O 120.693 0.283 . . . . 0.0 110.615 179.705 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.6 t -69.74 145.01 52.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.247 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.31 -57.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.44 163.21 29.51 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.818 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.425 ' CD2' ' HA ' ' A' ' 49' ' ' GLU . 9.4 m80 -130.94 155.46 46.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.84 0.352 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.05 132.77 50.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.54 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.1 t -103.61 129.26 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.395 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -90.0 113.92 25.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.73 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.6 mt -84.39 106.87 16.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.518 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 12.0 mt -124.28 140.35 34.82 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.806 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.518 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 57.8 Cg_endo -73.9 86.3 1.26 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.157 1.905 . . . . 0.0 112.029 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.74 -11.21 3.42 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.502 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -179.21 166.09 1.5 Allowed 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 120.76 0.314 . . . . 0.0 110.805 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.55 154.13 50.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.991 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.86 129.13 31.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -113.11 120.91 42.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.9 t -119.37 140.32 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.425 ' HA ' ' CD2' ' A' ' 36' ' ' HIS . 19.0 pm0 -90.93 134.58 34.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.15 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 31.0 mm -101.68 117.94 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.815 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.429 ' HB ' ' HB2' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -97.08 168.28 10.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.186 -179.722 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -86.23 68.0 10.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.394 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.608 ' C ' ' H ' ' A' ' 55' ' ' VAL . 24.2 ttt-85 -90.98 4.27 52.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.888 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.43 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 1.2 t-20 71.66 -35.92 0.34 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.608 ' H ' ' C ' ' A' ' 53' ' ' ARG . 88.8 t -137.28 139.06 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.39 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.456 ' HB ' ' HB2' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -125.2 130.93 53.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.375 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.69 133.62 48.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.958 0.408 . . . . 0.0 110.872 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.444 ' CD1' ' CE1' ' A' ' 80' ' ' PHE . 27.1 mt -125.98 121.58 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.296 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.64 -137.32 4.15 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.156 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.34 -19.62 12.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.61 0.243 . . . . 0.0 111.117 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.45 151.12 5.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.858 0.361 . . . . 0.0 111.042 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -75.61 -38.34 59.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.95 -19.98 63.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.228 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 40.1 m -53.91 157.24 2.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.412 ' CB ' ' CG2' ' A' ' 56' ' ' THR . 0.7 OUTLIER -74.42 -59.96 2.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.968 0.414 . . . . 0.0 110.894 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.09 129.65 67.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.079 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.4 pt -101.49 106.53 19.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.184 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.408 ' CD1' ' CD1' ' A' ' 73' ' ' ILE . 61.4 mt -65.58 178.95 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.8 p -112.72 67.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.03 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.99 128.15 13.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.602 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.57 -16.73 54.97 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.43 2.087 . . . . 0.0 112.413 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -126.6 33.0 5.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.688 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.408 ' CD1' ' CD1' ' A' ' 68' ' ' LEU . 2.9 tp -74.35 125.97 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.116 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 m -55.72 133.22 50.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.173 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.1 m -62.14 -38.86 90.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.454 ' O ' ' C ' ' A' ' 77' ' ' HIS . 5.5 m-85 -105.76 14.08 28.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.45 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.499 ' CD2' ' CD1' ' A' ' 127' ' ' PHE . 1.8 t60 -19.24 -68.98 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.585 -1.189 . . . . 0.0 112.888 -179.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.432 ' CB ' ' CZ ' ' A' ' 127' ' ' PHE . . . -150.96 164.1 37.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.975 0.417 . . . . 0.0 111.947 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 56' ' ' THR . 8.0 pt-20 -131.12 138.41 49.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.771 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.456 ' HB2' ' HB ' ' A' ' 56' ' ' THR . 10.0 m-85 -119.43 131.33 55.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.953 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.43 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 12.4 m-70 -94.73 116.73 29.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.839 0.352 . . . . 0.0 111.218 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.08 109.36 21.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.691 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.46 140.06 53.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -113.94 129.36 56.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -136.53 147.96 47.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.103 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -103.17 119.65 39.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 m -127.81 115.62 40.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.338 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 55.94 78.45 0.2 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 66.39 -71.57 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.989 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -70.03 177.03 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.713 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.03 127.94 27.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.2 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -102.47 143.96 31.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.625 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -109.82 130.74 55.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.14 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.35 137.89 51.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.624 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.9 mp -121.01 140.39 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 111.28 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.97 144.08 43.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.929 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 11.9 t -117.03 123.02 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.036 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.8 mp -127.28 123.93 62.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.061 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.03 130.74 56.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -149.62 42.92 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 m -123.8 -177.65 3.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -117.49 41.49 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.82 -34.3 5.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.311 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.77 125.29 5.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.445 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.446 ' CG2' ' CE1' ' A' ' 127' ' ' PHE . 56.2 m -132.06 126.1 33.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 111.022 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -121.08 115.01 22.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.797 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.53 137.03 55.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.301 0.572 . . . . 0.0 111.257 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 64.16 29.58 13.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.804 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.65 11.98 73.49 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.903 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -134.0 141.17 47.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.815 0.341 . . . . 0.0 110.979 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -70.22 135.47 49.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.8 tt -83.95 122.61 28.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 17.1 m -115.46 -40.82 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.76 -178.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.789 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.56 -33.42 5.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.035 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.53 72.62 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.075 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -83.98 138.78 32.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.727 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.4 ' O ' ' CG2' ' A' ' 118' ' ' ILE . 8.2 tp -98.66 118.04 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.984 0.421 . . . . 0.0 111.495 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.4 ' CD2' ' N ' ' A' ' 120' ' ' LYS . 3.6 tt -103.17 140.22 37.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.97 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.4 ' N ' ' CD2' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -134.3 176.23 8.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.854 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.43 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 6.4 p-10 -58.8 141.51 52.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.978 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 74.11 53.03 7.25 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.502 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -131.47 134.26 45.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.807 0.337 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -103.46 124.2 48.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.421 ' HB ' ' CE1' ' A' ' 133' ' ' PHE . 3.4 mp -120.87 126.34 75.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.089 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.4 t -109.47 133.85 53.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.499 ' CD1' ' CD2' ' A' ' 77' ' ' HIS . 5.4 m-85 -119.72 130.62 55.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.077 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 85.78 -68.02 3.46 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.424 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 169.96 -33.44 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.742 0.306 . . . . 0.0 110.985 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 5.4 p -106.43 -42.72 4.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.396 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 44.9 m -57.71 104.79 0.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.985 0.422 . . . . 0.0 111.202 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 29.0 t -124.5 125.86 44.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.918 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.421 ' CE1' ' HB ' ' A' ' 125' ' ' ILE . 25.3 p90 -142.09 156.06 45.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.928 0.394 . . . . 0.0 111.206 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 5.6 tt -122.2 124.84 44.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.639 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -92.02 141.41 28.64 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 122.04 0.924 . . . . 0.0 111.831 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.58 153.44 31.41 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 113.774 -1.557 . . . . 0.0 110.665 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 137' ' ' TYR . 1.1 m-30 -78.39 139.84 38.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.065 0.46 . . . . 0.0 110.632 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -102.86 119.99 39.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.167 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.2 m -128.54 -175.59 3.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 2.7 t -64.97 -66.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -170.6 151.58 3.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.56 167.45 10.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.949 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 1.3 p -148.43 45.23 1.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -72.99 126.93 31.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.462 ' CG2' ' H ' ' A' ' 146' ' ' GLU . 2.3 mt -110.14 -143.4 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.436 -1.149 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.462 ' H ' ' CG2' ' A' ' 145' ' ' ILE . 1.7 mt-10 62.76 152.31 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 61.13 85.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.27 159.33 26.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -137.49 31.13 2.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -94.24 126.73 39.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.1 177.88 8.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 15.8 m -98.17 31.22 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.69 117.42 3.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 47.8 m -129.59 -179.45 5.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.03 30.01 5.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 2.5 m 58.94 81.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.77 98.16 11.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 8.7 t -87.83 -39.9 14.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.862 0.363 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 12.4 pt -93.12 -179.19 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.05 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 10.6 tm0? 58.68 88.68 0.12 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.955 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.25 -168.11 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.497 2.131 . . . . 0.0 112.269 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -133.9 163.43 29.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -91.91 113.11 25.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 53.1 m -100.97 144.59 29.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.802 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.0 p . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.884 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.0 mttp . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.812 0.339 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.18 36.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -95.21 140.75 29.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -78.71 110.37 13.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -95.84 160.77 14.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.9 t -158.37 -48.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -89.47 -176.93 5.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.23 136.14 20.17 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.793 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -57.68 154.58 36.28 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.399 2.066 . . . . 0.0 112.177 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.1 t -94.04 -173.75 3.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.5 p -89.41 162.91 15.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -94.13 -24.09 17.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.006 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.406 ' HB2' ' CG2' ' A' ' 51' ' ' THR . 40.9 m-85 -100.21 -122.51 0.16 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.602 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.403 ' N ' HG22 ' A' ' 51' ' ' THR . 0.1 OUTLIER -140.24 129.88 24.31 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.788 0.328 . . . . 0.0 110.248 179.731 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.03 134.96 57.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.925 0.393 . . . . 0.0 111.199 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.3 tt -132.93 -48.07 0.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.758 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -159.15 -173.38 27.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.516 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -142.79 160.34 40.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.838 0.351 . . . . 0.0 110.881 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.2 119.72 27.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.763 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.2 t -104.39 121.78 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.172 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -90.27 133.01 35.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.804 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.2 mp -106.18 106.67 17.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.833 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.4 mp -124.32 139.02 31.97 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -50.49 -25.15 13.68 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.363 2.042 . . . . 0.0 112.507 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.45 -40.43 7.83 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.644 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.72 163.94 1.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.852 0.358 . . . . 0.0 110.947 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -94.41 174.06 7.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.08 129.65 8.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -107.22 124.94 50.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.6 t -116.86 137.53 50.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -88.27 122.27 31.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.7 tt -113.23 124.51 69.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.994 0.426 . . . . 0.0 111.182 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.406 ' CG2' ' HB2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -97.43 168.23 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.127 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.61 68.21 6.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.115 0.484 . . . . 0.0 110.469 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.614 ' C ' ' H ' ' A' ' 55' ' ' VAL . 19.6 ttt-85 -81.87 5.51 18.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.038 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' ' 53' ' ' ARG . 25.1 m-80 69.67 -35.96 0.33 Allowed 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -178.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.614 ' H ' ' C ' ' A' ' 53' ' ' ARG . 61.1 t -137.5 132.68 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.477 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 80' ' ' PHE . 53.4 m -125.07 127.32 46.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.262 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -104.14 119.68 39.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.025 0.44 . . . . 0.0 111.188 -179.62 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.2 mt -107.84 122.29 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.026 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.84 -139.92 5.43 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.456 -0.878 . . . . 0.0 113.014 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.443 ' HB2' ' CG2' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -106.99 -32.84 7.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.321 . . . . 0.0 111.176 -179.586 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 t -45.68 153.11 0.28 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.327 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -75.3 -34.14 61.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.88 -19.25 62.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.2 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 6.1 m -53.78 141.02 28.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.006 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 57' ' ' THR . 3.3 m-20 -65.26 -53.81 38.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.138 0.494 . . . . 0.0 110.429 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.0 t -109.49 133.09 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.727 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.59 106.55 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.201 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.417 ' CB ' HG12 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -76.75 -152.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.031 179.615 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 1.2 m -39.62 -93.95 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 117.548 0.158 . . . . 0.0 111.285 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' A' ' 69' ' ' SER . 2.1 mm-40 155.99 -67.66 0.0 OUTLIER Pre-proline 0 N--CA 1.469 0.499 0 CA-C-O 120.644 0.259 . . . . 0.0 111.662 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 70' ' ' GLU . 39.8 Cg_endo -67.14 -16.24 48.4 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.555 2.17 . . . . 0.0 113.585 -178.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -137.05 34.99 2.57 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.677 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.443 ' CG2' ' HB2' ' A' ' 60' ' ' ARG . 4.9 tp -117.75 126.01 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-O 120.995 0.426 . . . . 0.0 111.237 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.416 ' HB2' ' CG ' ' A' ' 77' ' ' HIS . 34.7 m -62.25 133.73 55.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.061 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.4 m -54.73 -44.05 73.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.465 ' O ' ' C ' ' A' ' 77' ' ' HIS . 16.2 p90 -110.45 13.68 22.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.231 0.538 . . . . 0.0 111.54 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.465 ' C ' ' O ' ' A' ' 76' ' ' PHE . 1.6 t-160 -13.16 -65.58 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.571 -1.195 . . . . 0.0 113.063 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.415 ' HB1' ' CE1' ' A' ' 127' ' ' PHE . . . -154.19 160.11 41.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.12 0.486 . . . . 0.0 112.039 -179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -122.19 134.86 54.71 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.015 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' THR . 3.2 m-85 -119.52 131.1 55.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.74 0.305 . . . . 0.0 111.24 -179.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.466 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 11.2 m170 -97.16 116.84 30.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 0.0 111.013 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -106.1 109.68 21.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.835 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.1 139.44 53.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.984 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.41 128.09 50.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.808 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -112.66 128.8 56.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -85.32 116.0 23.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.022 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.8 t -136.61 139.05 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.023 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -53.12 157.28 1.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.09 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 69.05 -67.58 0.21 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -136.8 154.79 50.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -82.98 157.43 22.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.834 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -115.9 125.8 53.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -113.55 128.4 56.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.1 mp -123.0 128.37 50.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mp -118.34 141.05 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.402 ' HB3' ' HB2' ' A' ' 81' ' ' HIS . 15.7 t-20 -113.84 144.09 43.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.789 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 12.7 t -113.25 122.08 66.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.188 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.4 ' CD1' ' NE2' ' A' ' 81' ' ' HIS . 32.9 mt -126.68 121.01 57.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -111.79 133.83 53.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.05 37.21 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.6 m -128.85 176.73 7.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.01 30.7 7.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.47 -28.12 15.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.18 111.28 3.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.446 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.456 ' CG2' ' CE1' ' A' ' 127' ' ' PHE . 85.2 m -118.73 125.6 50.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.401 ' CE2' ' HG3' ' A' ' 111' ' ' ARG . 38.8 m-85 -121.04 114.98 22.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.8 tp -111.54 137.36 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.441 0.638 . . . . 0.0 111.239 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 62.54 26.33 15.65 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.834 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.66 9.64 70.02 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.801 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -134.23 151.53 51.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.884 0.373 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.401 ' HG3' ' CE2' ' A' ' 106' ' ' PHE . 0.9 OUTLIER -69.95 132.54 46.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.76 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -99.97 141.05 33.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.025 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 12.6 p -118.95 -39.54 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -59.89 130.74 48.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.788 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -72.66 -16.86 61.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -120.67 68.68 0.87 Allowed 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -78.88 139.12 38.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.626 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 8.3 tp -98.41 116.44 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-O 121.015 0.436 . . . . 0.0 111.345 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.8 tt -103.19 143.77 32.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.073 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.1 mtmm -135.62 178.13 7.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.72 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.432 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 7.8 p-10 -55.64 137.82 48.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.099 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 77.23 43.01 17.52 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.624 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -114.95 130.47 56.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.45 114.9 29.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.787 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.449 ' CG2' ' CE1' ' A' ' 133' ' ' PHE . 2.9 tt -116.64 137.77 49.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.2 t -116.57 127.61 74.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.196 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.456 ' CE1' ' CG2' ' A' ' 105' ' ' THR . 40.6 m-85 -119.29 130.65 55.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.763 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.485 ' O ' ' HB2' ' A' ' 129' ' ' LYS . . . 86.78 -7.45 79.81 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.741 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 128' ' ' GLY . 4.6 mtpp 74.71 32.16 0.89 Allowed 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.075 0.464 . . . . 0.0 110.358 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 53.2 p -161.49 -43.46 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.94 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 6.8 m -88.01 110.97 21.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 33.4 t -124.17 138.44 54.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.181 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.449 ' CE1' ' CG2' ' A' ' 125' ' ' ILE . 15.5 p90 -142.09 156.16 45.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 8.9 tt -107.88 139.98 41.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.058 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -110.74 141.63 43.79 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.925 0.869 . . . . 0.0 111.596 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -154.56 160.75 41.69 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 113.899 -1.5 . . . . 0.0 110.955 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 121' ' ' ASN . 3.4 m-85 -85.57 139.84 31.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.971 0.415 . . . . 0.0 110.749 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -96.13 106.62 18.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.191 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.8 m -120.26 150.38 40.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 67.0 m -154.69 151.47 28.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.3 m -99.15 174.18 6.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 15.1 m -74.26 146.83 42.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.41 -55.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.029 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -157.3 36.67 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 18.4 mm -102.49 24.69 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.605 0.717 . . . . 0.0 111.385 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.33 90.36 3.68 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 114.629 -1.169 . . . . 0.0 110.972 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -77.57 141.98 39.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -162.96 99.21 0.97 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -69.98 143.2 52.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -97.5 -64.94 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.65 148.23 49.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 6.2 m -127.49 -44.48 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 10.7 p 59.44 173.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 11.5 t -109.4 -36.14 6.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -137.93 145.03 41.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 23.3 t -61.64 -51.7 67.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -128.68 148.23 50.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 30.1 t -135.66 94.65 3.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 51.0 p30 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.844 0.354 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . 0.486 HD12 HG23 ' B' ' 4' ' ' ILE . 0.2 OUTLIER -148.37 177.26 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.221 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.2 91.96 0.07 OUTLIER Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.061 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.59 -173.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.476 2.117 . . . . 0.0 112.155 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.86 -175.83 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.798 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -83.83 114.6 21.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 35.5 p -84.8 179.25 7.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.804 0.335 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 47.4 mtt180 -125.53 135.4 52.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -125.86 162.42 25.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -91.68 -43.52 9.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.17 -172.57 4.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.03 116.59 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -161.96 -45.88 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm -71.18 119.12 71.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.816 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.09 142.55 46.79 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.373 2.049 . . . . 0.0 112.258 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m 62.21 118.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 m -106.81 -44.71 4.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 62.66 144.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.432 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 88.5 m-85 -121.62 -122.76 0.28 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.451 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.437 ' N ' HG23 ' A' ' 51' ' ' THR . 0.2 OUTLIER -138.24 129.26 27.08 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-O 120.887 0.375 . . . . 0.0 110.37 179.476 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.98 145.08 47.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.071 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -149.28 -45.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.834 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.451 ' HA2' ' HB3' ' A' ' 138' ' ' ALA . . . -143.86 179.53 21.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.499 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.422 ' CE1' ' HB1' ' A' ' 138' ' ' ALA . 47.0 m80 -146.69 157.88 43.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.859 0.361 . . . . 0.0 110.637 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mt -121.63 115.92 23.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.043 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.95 121.74 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.004 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -90.0 116.73 28.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -70.61 106.69 3.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.811 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.411 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 30.8 mm -124.11 138.74 31.25 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.967 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.411 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 89.9 Cg_exo -44.33 -29.26 2.93 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.513 2.142 . . . . 0.0 112.603 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.34 -122.62 3.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.302 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.18 138.52 38.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.854 0.359 . . . . 0.0 111.053 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -89.81 150.01 22.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.64 108.26 17.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HE2' ' CD2' ' A' ' 36' ' ' HIS . 3.6 tmtt? -105.77 126.75 52.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.1 t -119.76 151.08 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.163 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -101.37 133.05 46.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.7 tt -114.53 132.17 64.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 32' ' ' THR . 0.8 OUTLIER -105.7 168.39 9.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.225 -179.565 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -83.67 68.53 9.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.289 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.605 ' C ' ' H ' ' A' ' 55' ' ' VAL . 18.1 ttt180 -88.49 4.77 45.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.062 -179.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 1.2 t-20 71.56 -37.49 0.39 Allowed 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -178.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.605 ' H ' ' C ' ' A' ' 53' ' ' ARG . 68.7 t -137.3 137.83 45.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.581 179.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.45 ' CG2' ' HB3' ' A' ' 65' ' ' ASP . 31.7 m -125.43 129.72 50.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.952 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.69 132.81 49.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.858 0.361 . . . . 0.0 110.571 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.482 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 40.2 mt -116.69 128.37 74.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.698 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 161.62 -135.31 3.87 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.127 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.456 ' HB2' ' CG2' ' A' ' 73' ' ' ILE . 5.2 ttp85 -115.46 -27.28 7.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.65 0.262 . . . . 0.0 110.999 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.37 122.26 3.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.868 0.366 . . . . 0.0 110.925 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -55.02 -27.0 40.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.088 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -75.5 -22.97 56.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.067 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.2 m -54.99 163.1 1.09 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.45 ' HB3' ' CG2' ' A' ' 56' ' ' THR . 9.7 t70 -82.23 -49.44 10.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.022 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' A' ' 58' ' ' ILE . 21.6 t -124.96 133.11 70.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.379 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -101.18 122.3 53.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.727 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.6 mt -82.74 -94.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.78 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.0 t -91.8 -108.39 0.1 Allowed 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.599 ' CB ' ' HD3' ' A' ' 71' ' ' PRO . 1.2 mt-10 168.26 -65.41 0.0 OUTLIER Pre-proline 0 CA--C 1.531 0.224 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 179.097 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.599 ' HD3' ' CB ' ' A' ' 70' ' ' GLU . 35.3 Cg_exo -60.35 -40.0 62.19 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 121.865 1.71 . . . . 0.0 113.075 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -125.5 28.9 6.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.456 ' CG2' ' HB2' ' A' ' 60' ' ' ARG . 7.0 tp -98.25 120.05 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.01 0.433 . . . . 0.0 111.124 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.4 m -59.14 133.49 56.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.215 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.5 m -63.67 -37.09 86.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.681 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.453 ' O ' ' C ' ' A' ' 77' ' ' HIS . 5.5 m-85 -106.22 13.86 28.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.247 0.546 . . . . 0.0 111.329 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.453 ' C ' ' O ' ' A' ' 76' ' ' PHE . 2.7 t-160 -19.93 -70.03 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.616 -1.175 . . . . 0.0 112.92 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.68 164.1 38.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.966 0.413 . . . . 0.0 111.946 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -126.47 134.8 50.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.684 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' THR . 14.4 m-85 -119.45 125.26 48.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.628 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.418 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 8.1 m-70 -94.86 116.26 28.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.919 0.39 . . . . 0.0 111.385 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 tt -106.67 109.43 21.34 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.711 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.27 140.18 52.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.055 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -99.7 124.98 45.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.2 120.62 15.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -107.13 124.22 49.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.035 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.5 m -124.1 139.09 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.066 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 t0 74.51 -59.21 0.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.057 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -174.8 -43.92 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -79.61 138.04 37.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.633 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -82.95 127.68 33.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.076 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -117.19 138.68 51.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.752 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -114.05 131.41 56.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.942 0.401 . . . . 0.0 111.104 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.2 mp -117.5 138.03 52.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.633 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.24 141.33 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.905 0.383 . . . . 0.0 111.328 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.76 132.74 55.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.821 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.3 t -95.87 128.27 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.249 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 22.3 mt -130.12 120.94 50.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.887 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -115.95 133.23 56.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.002 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.36 33.51 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.1 m -118.42 170.68 8.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.96 31.95 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.51 -40.64 7.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.217 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 112.96 109.23 2.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.453 ' CG2' ' CE1' ' A' ' 127' ' ' PHE . 58.6 m -112.98 125.63 54.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.752 0.311 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -120.22 123.49 43.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.2 tp -122.43 137.23 56.67 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 CA-C-O 121.557 0.694 . . . . 0.0 111.339 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 59.84 28.38 17.85 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.846 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.63 11.76 73.17 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.839 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -134.12 136.86 44.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.717 0.294 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.96 142.4 57.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.7 mp -76.95 142.25 40.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 11.3 m -136.53 31.67 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.03 178.83 7.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -108.37 -44.52 4.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.18 74.34 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.768 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.12 139.27 32.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 7.7 tp -98.56 119.17 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.7 tt -103.13 136.17 43.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.153 0.502 . . . . 0.0 111.642 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt -119.28 126.53 51.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.588 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.62 ' HB3' ' HA ' ' A' ' 136' ' ' LYS . 1.1 m120 -50.87 148.05 4.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.239 0.543 . . . . 0.0 111.635 -179.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 135' ' ' PHE . . . 93.2 40.92 4.7 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.748 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -142.48 162.46 35.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.878 0.37 . . . . 0.0 110.939 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.08 123.06 38.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.3 mt -114.85 121.92 67.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.961 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 38.6 t -109.47 124.0 65.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.036 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.453 ' CE1' ' CG2' ' A' ' 105' ' ' THR . 11.1 m-85 -122.19 146.38 47.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.758 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 80.58 -65.95 3.79 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.326 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 170.38 -33.85 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.789 0.328 . . . . 0.0 111.043 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 93.5 p -119.65 -34.94 3.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.493 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 33.3 m -54.37 104.78 0.12 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.994 0.426 . . . . 0.0 111.312 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 68.1 m -124.5 127.32 47.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.868 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -142.22 155.58 45.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.197 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.14 119.57 39.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.529 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.51 ' O ' ' N ' ' A' ' 122' ' ' GLY . 22.9 t80 -91.62 141.44 28.71 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 121.485 0.659 . . . . 0.0 110.376 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.62 ' HA ' ' HB3' ' A' ' 121' ' ' ASN . 0.3 OUTLIER -155.09 153.2 30.52 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.543 -179.317 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 121' ' ' ASN . 86.4 m-85 -70.98 141.0 51.04 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.139 0.495 . . . . 0.0 110.146 178.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.451 ' HB3' ' HA2' ' A' ' 35' ' ' GLY . . . -80.5 147.24 30.95 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.233 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.7 t -96.51 -24.91 15.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.007 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 64.04 106.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.32 108.04 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 51.1 m -81.0 -56.66 3.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.81 124.76 6.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -147.0 117.86 7.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.473 ' CG1' ' H ' ' A' ' 146' ' ' GLU . 0.4 OUTLIER -117.9 -150.63 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.432 -1.342 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.473 ' H ' ' CG1' ' A' ' 145' ' ' ILE . 2.5 tt0 -137.56 -58.13 0.68 Allowed 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -111.88 137.74 49.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.81 130.6 56.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -147.14 126.05 12.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -144.48 71.91 1.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -168.52 35.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 11.1 p -92.0 -30.42 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.7 t -88.36 156.38 19.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.16 89.98 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 66.09 -76.1 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.96 143.51 22.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 60.42 -177.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 20.3 p -103.36 165.87 10.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.865 0.364 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 3.7 mp -83.59 119.52 33.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 57.85 94.06 0.05 OUTLIER Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.167 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.59 -167.43 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.462 2.108 . . . . 0.0 112.158 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -107.31 115.96 31.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 60.06 -175.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 4.8 m -139.0 136.32 35.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.2 m . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.933 -179.939 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 tttt . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.783 0.325 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -144.86 169.6 17.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -138.39 31.45 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -118.46 160.22 22.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.788 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.08 127.82 54.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.5 p 58.11 166.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -133.47 31.47 3.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.4 tptp -154.99 134.73 7.99 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -61.64 140.94 89.26 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.495 2.13 . . . . 0.0 112.21 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.5 m -81.81 -76.21 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -151.32 34.16 0.57 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.3 94.06 8.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.774 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -88.41 -116.27 0.05 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.758 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.23 128.87 22.98 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.773 0.321 . . . . 0.0 110.81 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.41 114.97 6.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.821 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.46 -39.77 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.048 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -153.52 176.13 31.64 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.55 -0.834 . . . . 0.0 112.729 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.421 ' CE1' ' HB2' ' A' ' 138' ' ' ALA . 27.0 m80 -138.54 158.0 45.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.614 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mt -119.98 119.52 33.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.9 121.83 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -90.1 130.09 36.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mt -99.01 106.82 19.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.79 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.0 mp -124.07 132.61 24.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.056 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -57.24 85.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.299 2.0 . . . . 0.0 112.275 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.75 -28.69 1.45 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.553 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.37 149.87 0.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.8 0.333 . . . . 0.0 110.933 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.87 165.05 11.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.62 122.64 14.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.02 131.54 40.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.7 t -119.91 141.25 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.9 123.25 39.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.821 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.2 tt -116.07 132.06 66.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.215 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.03 168.19 10.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.783 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -59.5 -91.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.484 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.571 ' C ' ' H ' ' A' ' 55' ' ' VAL . 10.0 ttt-85 73.86 -4.29 2.3 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 179.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 71.31 -36.02 0.35 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.571 ' H ' ' C ' ' A' ' 53' ' ' ARG . 60.1 t -135.55 142.64 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.723 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 80' ' ' PHE . 89.5 m -125.07 129.49 50.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.71 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.2 OUTLIER -103.96 140.1 38.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.951 0.405 . . . . 0.0 110.802 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.456 HD13 HG22 ' A' ' 58' ' ' ILE . 34.5 mt -130.18 124.75 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.112 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.98 -140.12 5.79 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.414 ' CG ' HG23 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -110.25 -20.43 12.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.673 0.273 . . . . 0.0 111.082 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 t -55.23 154.09 6.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.862 0.363 . . . . 0.0 110.985 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.459 ' HD3' ' P ' ' B' ' 5' ' ' TPO . 0.0 OUTLIER -75.2 -36.2 61.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.98 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 m -70.01 -21.8 63.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.26 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 4.0 m -52.68 151.9 4.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.072 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 57' ' ' THR . 0.9 OUTLIER -68.97 -55.97 9.27 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.025 0.44 . . . . 0.0 110.754 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.0 t -119.56 127.46 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.067 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.1 pp -92.08 104.86 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.95 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 13.4 mt -56.7 166.6 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.016 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.5 m -94.0 51.13 1.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -130.92 126.2 21.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.607 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.05 -13.87 41.43 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.458 2.106 . . . . 0.0 112.725 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -138.44 45.41 2.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.879 0.371 . . . . 0.0 111.08 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.414 HG23 ' CG ' ' A' ' 60' ' ' ARG . 0.6 OUTLIER -83.46 147.78 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.86 132.13 53.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.004 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.5 m -63.53 -40.45 97.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.809 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.457 ' O ' ' C ' ' A' ' 77' ' ' HIS . 6.7 m-85 -102.01 14.05 33.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.37 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.457 ' C ' ' O ' ' A' ' 76' ' ' PHE . 4.6 t60 -19.34 -69.41 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.745 -1.116 . . . . 0.0 112.792 -179.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -145.31 162.59 36.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.031 0.444 . . . . 0.0 111.816 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.41 122.43 17.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.418 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 56' ' ' THR . 6.1 m-85 -119.27 131.2 55.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.618 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.415 ' CE1' HG21 ' A' ' 55' ' ' VAL . 11.9 m170 -94.69 116.26 28.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.929 0.395 . . . . 0.0 111.424 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.4 ' CD1' ' CD1' ' A' ' 95' ' ' ILE . 10.3 tp -106.62 109.56 21.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.238 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.35 140.09 53.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -98.02 120.93 39.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.69 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.44 121.67 44.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -98.09 115.99 29.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.802 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.8 p -140.08 128.11 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.004 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.96 -165.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.761 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -49.04 -62.3 1.6 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.315 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -82.7 -174.14 5.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -131.86 141.77 49.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.0 140.29 49.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -114.0 149.45 35.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -128.27 136.93 51.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.708 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.573 ' HB ' ' HB3' ' A' ' 119' ' ' LEU . 17.2 mm -118.75 141.2 39.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.225 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.01 144.14 44.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.452 ' CG2' ' HB2' ' A' ' 119' ' ' LEU . 25.9 t -111.76 130.47 65.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.388 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 12.7 mt -130.1 120.83 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.64 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.09 139.05 31.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.976 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -176.1 39.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.36 179.77 6.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 40.5 mtp85 -120.08 28.82 7.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.818 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -149.83 -62.0 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.173 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 166.17 135.73 1.9 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.635 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.404 HG21 ' CD1' ' A' ' 127' ' ' PHE . 90.1 m -125.4 122.88 38.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.749 0.309 . . . . 0.0 110.714 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.405 ' CE2' ' HD3' ' A' ' 111' ' ' ARG . 18.3 m-85 -121.09 117.11 26.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.001 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.8 tp -122.96 137.23 57.14 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 CA-C-O 121.498 0.666 . . . . 0.0 111.25 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 60.33 25.76 15.26 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.67 13.1 74.68 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.86 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -131.75 141.14 49.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.405 ' HD3' ' CE2' ' A' ' 106' ' ' PHE . 1.6 tpt85 -75.15 143.01 43.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.5 130.12 41.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.77 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 6.7 m -141.03 31.26 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -172.23 155.58 3.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -97.24 168.41 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.6 t0 59.97 55.29 3.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.817 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -84.0 139.35 32.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.406 ' O ' ' CG2' ' A' ' 118' ' ' ILE . 8.5 tp -98.34 117.21 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-O 121.045 0.45 . . . . 0.0 110.96 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.573 ' HB3' ' HB ' ' A' ' 95' ' ' ILE . 2.3 tt -103.11 137.28 41.49 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.251 0.548 . . . . 0.0 111.565 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.456 ' N ' ' CD2' ' A' ' 119' ' ' LEU . 0.8 OUTLIER -117.85 126.98 53.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.406 178.721 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.555 ' HB2' ' CE2' ' A' ' 137' ' ' TYR . 2.0 m-80 -53.87 131.5 40.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.618 -179.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 112.82 41.18 1.02 Allowed Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.314 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -139.85 168.61 19.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.8 0.334 . . . . 0.0 110.974 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.89 124.61 42.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.423 HG23 ' CE2' ' A' ' 127' ' ' PHE . 4.1 mt -114.78 122.93 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.974 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 35.0 t -118.42 129.41 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.423 ' CE2' HG23 ' A' ' 125' ' ' ILE . 58.7 m-85 -120.06 128.11 53.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.813 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 83.56 -67.54 3.71 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.285 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 168.27 -31.78 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.825 0.345 . . . . 0.0 111.106 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 18.3 p -98.75 -54.68 2.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.54 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 78.9 m -53.26 102.36 0.05 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.076 0.465 . . . . 0.0 111.641 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.5 m -124.94 114.03 18.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.922 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -142.11 155.54 45.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.859 0.361 . . . . 0.0 111.286 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 2.0 tt -112.27 125.57 54.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.732 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -96.01 140.64 30.46 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 121.797 0.808 . . . . 0.0 111.027 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.495 ' HA ' ' HB3' ' A' ' 121' ' ' ASN . 8.4 tttt -155.22 155.98 34.83 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 114.026 -1.443 . . . . 0.0 111.424 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.555 ' CE2' ' HB2' ' A' ' 121' ' ' ASN . 38.5 m-85 -69.15 141.21 54.65 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.188 0.518 . . . . 0.0 110.491 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.421 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . . . -72.67 117.34 14.23 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.197 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 14.4 m -85.15 125.84 33.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.77 88.43 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.65 143.53 45.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.7 m -160.46 102.61 1.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 1.7 t -95.47 90.76 5.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -96.59 107.94 20.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.451 ' CG2' ' H ' ' A' ' 146' ' ' GLU . 0.7 OUTLIER -110.25 -143.63 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.436 -1.152 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.451 ' H ' ' CG2' ' A' ' 145' ' ' ILE . 16.1 tt0 -107.03 120.12 41.22 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -145.79 134.5 22.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -123.14 138.48 54.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -177.97 -38.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 64.2 113.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 61.56 -177.0 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 6.0 m -59.23 121.97 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 5.4 t -152.78 -47.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 34.8 m -121.34 75.84 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.783 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -143.93 83.0 1.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.53 136.38 36.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -90.57 132.34 35.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.817 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.11 169.29 8.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.92 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . 0.488 ' O ' ' CG2' ' B' ' 4' ' ' ILE . 10.2 t30 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.556 0.217 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . 0.488 ' CG2' ' O ' ' B' ' 3' ' ' ASN . 9.6 tt 51.7 160.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.937 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' TPO . . . . . 0.459 ' P ' ' HD3' ' A' ' 62' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.62 162.43 20.01 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.871 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -64.53 -176.69 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.562 2.175 . . . . 0.0 112.318 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -133.89 47.13 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.55 177.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 68.1 m -155.16 156.22 35.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 12.0 p . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.14 -0.933 . . . . 0.0 110.92 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 mttt . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.77 0.319 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -85.98 -54.08 4.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -136.41 34.06 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -132.41 114.04 13.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.87 -55.29 0.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.2 m -86.89 175.27 8.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -133.79 169.24 17.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.453 ' CB ' ' HD3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -158.09 -57.26 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.148 179.81 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.453 ' HD3' ' CB ' ' A' ' 26' ' ' LYS . 37.3 Cg_exo -57.81 143.51 95.43 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.203 1.935 . . . . 0.0 112.267 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.8 m 61.06 88.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -164.54 -76.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.63 110.29 2.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.8 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -85.31 -107.53 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.423 ' N ' HG21 ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.43 138.5 34.77 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-O 120.835 0.35 . . . . 0.0 110.56 179.697 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.2 t -59.86 145.02 47.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.6 -46.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.615 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.574 ' O ' ' HB ' ' A' ' 50' ' ' ILE . . . -164.13 135.08 3.6 Favored Glycine 0 C--O 1.227 -0.294 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.872 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.423 ' CE1' ' HB3' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -108.81 159.46 16.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.114 0.483 . . . . 0.0 111.187 -179.481 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.414 ' CD1' ' HB ' ' A' ' 48' ' ' VAL . 0.2 OUTLIER -127.54 125.13 39.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.433 179.498 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.3 t -101.62 127.96 54.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.333 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -87.86 134.54 33.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.749 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -90.22 106.45 18.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.83 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.539 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 2.1 mp -124.6 141.17 37.15 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.687 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.539 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 56.8 Cg_endo -73.24 -39.29 2.2 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.107 1.871 . . . . 0.0 112.316 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.57 -32.61 67.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.39 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.0 ptpp? 173.5 118.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.786 0.327 . . . . 0.0 110.809 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -56.71 169.92 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -150.24 132.47 15.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.806 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.97 130.44 56.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.018 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.414 ' HB ' ' CD1' ' A' ' 37' ' ' LEU . 25.0 t -118.56 151.08 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.423 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -104.8 127.7 52.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.67 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.574 ' HB ' ' O ' ' A' ' 35' ' ' GLY . 13.6 mm -111.3 125.9 68.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.136 0.493 . . . . 0.0 111.1 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.423 HG21 ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -96.94 168.1 10.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.583 179.872 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -80.27 59.6 3.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.147 0.499 . . . . 0.0 110.223 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.587 ' C ' ' H ' ' A' ' 55' ' ' VAL . 10.1 ttt-85 -80.97 0.15 36.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.813 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.429 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 0.4 OUTLIER 71.88 -34.46 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -178.727 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.587 ' H ' ' C ' ' A' ' 53' ' ' ARG . 71.3 t -137.41 135.17 46.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.762 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 80' ' ' PHE . 51.6 m -125.28 130.38 51.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.021 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.405 ' HB ' ' HA ' ' A' ' 64' ' ' CYS . 0.1 OUTLIER -103.74 120.22 40.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.983 0.42 . . . . 0.0 110.804 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.3 mp -107.92 128.43 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.029 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.75 -143.44 8.2 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.427 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.21 -17.83 12.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.607 0.241 . . . . 0.0 111.264 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.92 159.97 2.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.82 0.343 . . . . 0.0 111.041 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.56 -38.32 29.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -70.0 -21.56 63.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.254 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.405 ' HA ' ' HB ' ' A' ' 57' ' ' THR . 21.7 m -53.64 141.28 26.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.094 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.438 ' HB3' ' CG2' ' A' ' 56' ' ' THR . 62.4 t0 -64.19 -47.93 77.86 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.903 0.382 . . . . 0.0 110.752 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -117.83 133.09 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.243 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.7 pt -106.55 122.45 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.1 mp -70.08 -177.13 1.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.71 34.6 4.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.156 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.12 129.6 25.21 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.682 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.07 -13.98 41.8 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.474 2.116 . . . . 0.0 112.69 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -130.84 41.33 3.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.713 0.292 . . . . 0.0 111.14 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.4 tp -85.01 148.02 5.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.7 t -58.7 131.1 49.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.98 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 74.3 m -64.91 -44.06 90.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.764 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.469 ' O ' ' C ' ' A' ' 77' ' ' HIS . 19.8 m-85 -100.6 13.76 33.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.273 0.558 . . . . 0.0 111.294 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.469 ' C ' ' O ' ' A' ' 76' ' ' PHE . 2.6 t-160 -14.69 -68.29 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.513 -1.221 . . . . 0.0 112.858 -179.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.39 164.02 27.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.969 0.414 . . . . 0.0 111.659 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -120.66 142.49 49.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.52 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' THR . 1.0 OUTLIER -119.53 126.23 50.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.871 -179.756 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.429 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 6.9 m-70 -94.84 116.13 28.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.893 0.378 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.74 109.91 21.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.788 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.3 mt -117.67 137.07 52.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -108.86 125.43 51.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -134.52 125.57 27.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -94.26 115.94 28.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.8 m -122.68 122.85 67.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.03 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 61.21 -173.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.728 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -47.65 -29.28 2.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.221 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -97.93 -173.38 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -131.16 142.14 50.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 48.6 ttp85 -117.04 127.5 54.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.763 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -111.03 138.98 46.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.038 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -132.05 138.96 48.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.419 HD13 ' CE1' ' A' ' 135' ' ' PHE . 2.5 mp -124.9 141.14 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.784 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.78 131.49 56.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.986 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.438 ' CG2' ' CZ ' ' A' ' 80' ' ' PHE . 21.6 t -105.56 130.23 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.156 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.5 mp -128.37 124.92 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -87.75 121.73 30.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.46 -23.04 53.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.039 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m 67.44 84.83 0.15 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.16 -48.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.797 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -118.22 -39.43 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.079 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 135.0 119.75 1.97 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 26.5 m -126.27 123.62 38.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.427 ' CE2' ' HB3' ' A' ' 111' ' ' ARG . 6.1 m-85 -120.94 137.21 54.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.406 HD12 ' ND2' ' A' ' 108' ' ' ASN . 2.8 tp -123.01 137.19 57.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.466 0.651 . . . . 0.0 111.293 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.406 ' ND2' HD12 ' A' ' 107' ' ' ILE . 13.8 m120 64.92 28.09 12.69 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.715 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.62 8.9 68.37 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.94 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -134.11 148.07 50.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.831 0.348 . . . . 0.0 110.959 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.427 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 5.5 ptm180 -66.76 130.69 43.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.8 pp -87.16 137.91 31.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 12.2 p -121.8 -42.85 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -67.23 155.99 37.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -92.59 154.33 18.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.4 t0 60.02 73.19 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.818 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -83.23 137.73 33.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 8.0 tp -98.74 118.31 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.294 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 5.4 tt -103.18 135.62 44.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -122.73 171.03 9.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.431 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 4.8 p-10 -59.53 148.05 34.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.993 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 65.99 38.67 94.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.527 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -112.19 141.88 45.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.817 0.342 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.3 ttm-85 -95.29 127.95 41.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.965 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.407 HG23 ' CZ ' ' A' ' 133' ' ' PHE . 3.3 mp -124.91 138.05 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.1 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.7 t -122.89 123.9 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.426 ' HB3' ' CE1' ' A' ' 77' ' ' HIS . 3.3 m-85 -115.7 112.02 21.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 106.22 -74.04 0.22 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.508 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -178.54 -37.96 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.704 0.287 . . . . 0.0 111.084 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.0 p -115.0 -36.0 4.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.358 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 15.0 m -60.14 107.4 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.93 0.395 . . . . 0.0 111.071 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.7 p -124.19 138.48 54.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.698 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 133' ' ' PHE . 2.3 p90 -142.14 156.09 45.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.956 0.408 . . . . 0.0 111.324 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 8.8 tt -117.09 127.37 54.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.579 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.419 ' CE1' HD13 ' A' ' 95' ' ' ILE . 59.1 t80 -99.25 141.59 31.83 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 122.015 0.912 . . . . 0.0 112.025 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt -154.54 146.73 23.76 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 113.732 -1.576 . . . . 0.0 110.677 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.431 ' CE2' ' HB3' ' A' ' 121' ' ' ASN . 3.7 m-85 -72.59 139.82 47.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.93 0.395 . . . . 0.0 110.908 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -129.04 117.3 20.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.055 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.8 t -132.51 81.19 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 13.7 p 58.46 -176.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.954 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 20.0 m -111.28 106.49 15.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 38.3 t -104.19 158.92 16.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.809 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 3.1 p -107.7 -178.69 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -137.52 140.65 41.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.958 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 2.8 mp -102.8 25.05 1.41 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.39 0 CA-C-O 121.641 0.734 . . . . 0.0 111.313 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 61.95 168.03 0.11 Allowed 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 114.623 -1.171 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 60.68 102.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -95.11 94.67 8.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.48 -177.67 3.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -119.64 96.45 5.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.54 115.84 6.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 10.9 p -104.05 54.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.064 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 16.6 m -136.03 153.41 51.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.61 92.77 4.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -115.1 148.68 38.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 4.1 t -109.82 -60.41 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 8.4 ptt-85 -109.44 114.65 28.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.8 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.5 m -68.86 164.96 20.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.1 t30 . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.825 0.345 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . 0.435 HG23 ' P ' ' B' ' 5' ' ' TPO . 37.3 mm -84.86 146.26 6.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' TPO . . . . . 0.435 ' P ' HG23 ' B' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -150.96 163.24 24.37 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -69.16 173.33 10.59 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.501 2.134 . . . . 0.0 112.324 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -108.91 55.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 60.52 170.78 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.83 136.65 38.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.937 179.964 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.843 0.354 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -77.62 -172.48 2.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -136.21 139.01 42.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -143.04 36.84 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -84.9 78.12 9.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.9 t -94.46 82.84 4.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 62.95 -79.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.064 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -59.98 119.04 37.98 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.812 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -57.88 157.48 24.18 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.398 2.065 . . . . 0.0 112.26 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.8 t -64.76 82.82 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.4 p -128.07 -44.55 1.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -62.18 -176.78 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.845 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -108.62 -118.5 0.27 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.632 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -140.14 138.82 35.54 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.957 0.408 . . . . 0.0 110.638 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.0 t -71.9 133.26 45.31 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.021 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.17 -43.05 1.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.914 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -154.35 -178.46 28.76 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.511 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.426 ' CD2' ' HA ' ' A' ' 49' ' ' GLU . 22.1 m80 -144.5 154.73 43.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.933 0.396 . . . . 0.0 110.853 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.2 119.42 33.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.723 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.9 t -98.58 122.43 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.084 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -88.18 117.67 27.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.817 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.1 mt -84.81 106.77 16.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.777 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.53 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 4.2 mt -124.11 141.04 36.13 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.53 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 50.5 Cg_endo -72.28 81.07 1.52 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.12 1.88 . . . . 0.0 112.074 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.44 -19.08 1.32 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.39 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.94 169.88 1.94 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.738 0.304 . . . . 0.0 110.58 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -132.79 154.39 50.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 111.197 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -135.92 124.13 23.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -112.97 125.37 54.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.947 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.8 t -120.59 137.08 55.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.426 ' HA ' ' CD2' ' A' ' 36' ' ' HIS . 0.3 OUTLIER -80.81 141.96 34.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -112.61 127.15 69.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.22 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.84 168.13 10.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.924 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -92.39 72.37 5.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.385 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.603 ' C ' ' H ' ' A' ' 55' ' ' VAL . 0.5 OUTLIER -99.37 13.59 32.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.681 -179.711 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.476 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 5.8 m-20 68.56 -30.38 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.134 -0.226 . . . . 0.0 110.546 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.603 ' H ' ' C ' ' A' ' 53' ' ' ARG . 58.1 t -137.44 135.13 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-O 121.026 0.441 . . . . 0.0 111.808 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.416 ' HB ' ' HB2' ' A' ' 80' ' ' PHE . 53.4 m -125.54 130.79 52.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.9 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -105.65 141.34 37.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.087 0.47 . . . . 0.0 111.53 -179.394 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.4 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 4.6 mp -132.27 126.2 55.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.011 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.14 -130.08 2.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.977 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.446 ' HB2' ' CG2' ' A' ' 73' ' ' ILE . 0.1 OUTLIER -112.06 -32.34 6.6 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.727 0.299 . . . . 0.0 111.147 -179.647 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.33 147.17 0.27 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.561 -179.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.6 ttm-85 -72.93 -32.52 65.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.9 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.91 -16.09 58.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.358 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 11.3 m -53.11 151.05 5.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.74 0.305 . . . . 0.0 111.098 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' THR . 2.3 m-20 -68.94 -55.87 9.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.003 0.43 . . . . 0.0 110.781 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 58' ' ' ILE . 21.6 t -124.37 126.26 71.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.351 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.0 pt -98.49 122.55 50.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.925 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.402 ' HB2' HG12 ' A' ' 73' ' ' ILE . 40.1 mt -84.35 -120.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 2.2 m -56.99 -97.26 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 69' ' ' SER . 6.5 mm-40 154.71 -66.95 0.0 OUTLIER Pre-proline 0 N--CA 1.468 0.438 0 C-N-CA 122.426 0.29 . . . . 0.0 111.077 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 70' ' ' GLU . 41.7 Cg_endo -67.51 -18.93 49.2 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.436 2.091 . . . . 0.0 113.41 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -135.88 25.23 3.35 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.446 ' CG2' ' HB2' ' A' ' 60' ' ' ARG . 5.4 tp -104.94 124.74 59.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.077 0.465 . . . . 0.0 111.501 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 77' ' ' HIS . 4.8 m -65.99 137.2 56.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.209 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.1 m -66.43 -39.39 88.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.843 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.421 ' O ' ' C ' ' A' ' 77' ' ' HIS . 6.1 m-85 -97.19 13.89 27.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.191 0.519 . . . . 0.0 111.69 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.443 ' CE1' ' HB3' ' A' ' 127' ' ' PHE . 1.7 t-160 -26.47 -69.01 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.826 -1.079 . . . . 0.0 112.585 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.428 ' CB ' ' CE1' ' A' ' 127' ' ' PHE . . . -155.96 159.39 39.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.191 0.52 . . . . 0.0 112.161 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.41 133.05 50.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.937 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.416 ' HB2' ' HB ' ' A' ' 56' ' ' THR . 7.6 m-85 -119.36 128.41 54.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.808 0.337 . . . . 0.0 111.064 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.476 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 33.8 m-70 -95.03 116.65 28.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.8 tp -106.12 109.59 21.58 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.943 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -122.26 140.02 53.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.009 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.39 120.97 39.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.787 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.03 150.51 44.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -107.11 116.53 32.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.3 m -113.35 120.61 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.028 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.84 -61.53 0.47 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -166.47 -42.53 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.809 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -68.18 -171.06 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.686 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -126.88 127.89 45.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.999 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -112.21 121.65 45.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.804 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.418 ' HB2' ' CE1' ' A' ' 137' ' ' TYR . 6.5 m120 -108.58 130.28 55.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.088 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.2 mp -132.1 136.67 47.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.571 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.42 ' HB ' HD21 ' A' ' 119' ' ' LEU . 4.2 mp -117.77 140.83 39.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.885 0.374 . . . . 0.0 111.372 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.66 124.52 52.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.638 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.402 ' CG2' ' HB2' ' A' ' 119' ' ' LEU . 13.9 t -96.6 135.28 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.929 0.395 . . . . 0.0 111.606 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 11.9 mt -121.82 120.76 62.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.605 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.64 117.72 35.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.05 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -147.58 53.74 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.819 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -139.5 173.77 11.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.62 -23.64 9.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.41 -34.43 48.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.72 0.295 . . . . 0.0 111.493 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 113.82 126.18 4.34 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.556 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.469 ' CG2' ' CE1' ' A' ' 127' ' ' PHE . 66.5 m -132.08 123.16 26.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.777 0.322 . . . . 0.0 110.836 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.416 ' CE2' ' HB3' ' A' ' 111' ' ' ARG . 61.7 m-85 -121.16 124.15 44.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 108' ' ' ASN . 0.7 OUTLIER -122.99 137.07 57.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.441 0.638 . . . . 0.0 111.211 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.446 ' N ' HG13 ' A' ' 107' ' ' ILE . 10.4 m120 60.04 28.42 17.96 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.669 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.67 13.05 74.63 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.9 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -131.57 137.64 48.53 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.866 0.365 . . . . 0.0 110.542 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.416 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -65.28 132.42 49.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.3 tt -89.11 133.88 34.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.981 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 5.7 m -138.24 -46.77 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.62 158.8 9.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.75 158.08 15.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 38.4 t70 59.67 64.06 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -84.07 138.4 33.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.075 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 8.3 tp -98.66 121.78 49.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.42 HD21 ' HB ' ' A' ' 95' ' ' ILE . 6.4 tt -103.15 136.83 42.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.171 0.51 . . . . 0.0 111.8 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -118.68 155.77 30.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.357 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.602 ' HB2' ' CE2' ' A' ' 137' ' ' TYR . 1.7 m-80 -77.09 148.23 36.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.152 0.501 . . . . 0.0 111.542 -178.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 87.63 37.56 7.98 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.476 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.54 164.14 27.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.951 0.405 . . . . 0.0 111.269 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -100.91 127.12 47.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.956 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.423 ' HB ' ' CZ ' ' A' ' 133' ' ' PHE . 3.1 mp -118.4 121.93 68.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 20.5 t -111.56 123.92 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.305 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.469 ' CE1' ' CG2' ' A' ' 105' ' ' THR . 9.8 m-85 -121.09 132.24 54.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.817 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 92.72 -69.96 1.65 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.275 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.2 -34.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.628 0.251 . . . . 0.0 111.311 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 79.1 p -120.77 -38.15 2.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.668 0.27 . . . . 0.0 111.642 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 28.7 m -53.04 105.09 0.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.979 0.419 . . . . 0.0 111.247 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 59.9 p -124.39 135.07 53.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 133' ' ' PHE . 2.4 p90 -142.16 156.07 45.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.913 0.387 . . . . 0.0 111.19 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.96 112.88 23.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.583 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -91.85 140.96 29.17 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 121.637 0.732 . . . . 0.0 111.035 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.468 ' HA ' ' HB3' ' A' ' 121' ' ' ASN . 10.5 mtmt -154.93 157.88 38.42 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.0 -1.454 . . . . 0.0 111.279 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.602 ' CE2' ' HB2' ' A' ' 121' ' ' ASN . 57.2 m-85 -76.28 140.87 41.73 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.187 0.517 . . . . 0.0 110.349 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -117.85 31.57 6.63 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.1 t -102.21 -31.15 10.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 8.5 p -153.22 58.94 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 83.4 p -105.66 -60.91 1.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.8 t -113.01 -67.67 0.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 2.1 m 57.3 96.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.987 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -149.99 97.97 2.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 20.1 mt -109.62 24.91 3.26 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-O 121.733 0.778 . . . . 0.0 111.386 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -118.37 143.42 46.65 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 114.548 -1.206 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -105.7 112.88 26.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.7 171.19 7.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.02 155.69 20.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -95.22 -54.6 3.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.71 171.59 11.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.976 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 11.4 p -165.71 141.6 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.9 p -147.12 132.1 18.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 11.1 p 59.74 110.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -86.15 -47.01 9.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 33.6 t 60.32 -174.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.03 -45.26 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 27.1 p -122.05 130.28 53.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.923 179.922 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.9 0.381 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 21.6 mt 65.1 74.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.161 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? 63.53 119.22 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.91 178.92 4.17 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.401 2.067 . . . . 0.0 112.33 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -100.1 160.65 14.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -81.82 87.8 6.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 22.8 t -110.43 -170.97 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.0 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.942 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.8 0.333 . . . . 0.0 111.254 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 tpt85 -85.79 117.83 24.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.018 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -99.02 -66.17 0.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.947 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -93.24 119.42 32.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -117.01 -40.25 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.951 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.6 t -82.72 133.8 35.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 60.35 159.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.418 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 3.1 mttp -87.75 -51.95 0.4 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.418 ' CD ' ' N ' ' A' ' 26' ' ' LYS . 32.9 Cg_exo -57.8 159.0 18.62 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.485 2.123 . . . . 0.0 112.262 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.6 m -114.87 164.38 14.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.821 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 m -145.8 -68.23 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.43 118.8 23.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.008 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -104.92 -113.26 0.25 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.544 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -140.26 128.94 23.03 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.825 0.345 . . . . 0.0 110.591 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.68 145.06 53.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 tp -150.81 -46.87 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.834 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -139.05 -179.11 17.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.393 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.436 ' CE1' ' HB2' ' A' ' 138' ' ' ALA . 50.1 m80 -145.04 163.06 35.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.902 0.382 . . . . 0.0 111.02 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 mp -127.13 111.47 14.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.738 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.7 t -95.89 121.77 46.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.993 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -90.09 124.86 35.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -80.65 106.64 12.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.804 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.475 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 2.7 mt -124.15 139.8 33.49 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.795 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 73.7 Cg_endo -76.44 -3.65 14.07 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.358 2.039 . . . . 0.0 112.66 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -113.78 -28.82 3.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.435 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.06 120.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.729 0.299 . . . . 0.0 110.777 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -71.51 154.65 41.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.022 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -129.06 141.16 51.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.773 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -113.13 129.46 56.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.014 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.6 t -122.64 140.9 45.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.939 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.18 137.5 33.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.914 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.3 tt -116.12 132.14 66.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -100.9 166.9 10.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.047 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -85.09 69.2 10.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.018 0.437 . . . . 0.0 110.47 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.626 ' C ' ' H ' ' A' ' 55' ' ' VAL . 18.1 ttt180 -87.08 8.38 23.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.831 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.477 ' HB2' ' O ' ' A' ' 53' ' ' ARG . 13.9 m-80 69.23 -36.79 0.35 Allowed 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 -178.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.626 ' H ' ' C ' ' A' ' 53' ' ' ARG . 78.8 t -137.47 135.35 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.263 179.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 80' ' ' PHE . 96.2 m -125.26 130.11 51.39 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.496 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.413 ' N ' ' HB2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.97 138.71 40.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.864 0.364 . . . . 0.0 111.051 -179.814 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.8 mp -124.22 119.41 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.68 -132.95 2.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.392 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.98 -21.14 7.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.644 0.259 . . . . 0.0 111.432 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.52 154.9 0.85 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.871 0.367 . . . . 0.0 111.154 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -73.97 -42.34 60.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.967 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.3 m -69.95 -17.89 63.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.212 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 21.8 m -55.73 161.82 1.99 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.957 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.413 ' HB2' ' N ' ' A' ' 57' ' ' THR . 0.9 OUTLIER -82.63 -66.63 0.87 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.026 0.441 . . . . 0.0 110.886 179.787 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.2 t -101.7 104.18 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.07 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.9 pp -92.04 116.87 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.25 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.74 164.95 15.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.4 t -104.7 65.36 0.75 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -125.8 133.85 25.31 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.05 -16.14 48.54 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.513 2.142 . . . . 0.0 112.547 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -125.02 27.35 6.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.71 0.29 . . . . 0.0 111.258 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.5 tp -76.26 124.05 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.367 . . . . 0.0 111.048 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.0 m -62.29 132.14 51.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.281 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.6 m -67.5 -43.62 80.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.719 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 77' ' ' HIS . 0.2 OUTLIER -97.49 13.79 28.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.235 179.768 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -20.09 -71.99 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.599 -1.182 . . . . 0.0 112.805 -179.351 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -155.7 164.03 39.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.15 0.5 . . . . 0.0 112.063 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -129.45 133.3 47.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.218 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.467 ' O ' ' N ' ' A' ' 56' ' ' THR . 7.1 m-85 -119.43 131.07 55.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.037 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.421 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 11.0 m-70 -94.83 116.39 28.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.922 0.392 . . . . 0.0 111.129 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.57 109.55 21.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.746 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.07 140.05 52.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.105 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -103.91 138.29 40.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.5 ttt -155.01 137.65 15.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.962 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -107.0 139.95 40.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.96 139.08 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.3 t0 69.7 -65.33 0.31 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 2.3 t30 179.34 38.18 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.401 ' CG ' ' O ' ' A' ' 89' ' ' ASN . 78.6 m-85 -157.7 158.82 36.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.806 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -99.88 127.97 46.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -112.94 150.53 31.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.748 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.425 ' HB2' ' CE1' ' A' ' 137' ' ' TYR . 8.9 m120 -114.06 120.02 39.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.043 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.0 mt -115.04 125.59 53.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.57 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.437 HD12 ' CE1' ' A' ' 135' ' ' PHE . 2.8 mp -118.62 141.06 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.23 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.94 144.22 43.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.766 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 20.9 t -112.82 123.42 68.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.165 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.1 mp -130.04 121.21 51.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.25 126.56 55.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -94.21 3.73 54.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.431 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.4 m 58.81 92.62 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.76 0.314 . . . . 0.0 111.008 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 14.1 mmt-85 -121.74 -71.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.762 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -112.4 -34.93 5.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 145.57 116.23 1.01 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.555 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.432 ' CG2' ' CE1' ' A' ' 127' ' ' PHE . 1.0 OUTLIER -131.99 130.56 41.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.341 . . . . 0.0 110.91 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -119.77 136.39 54.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.1 tp -122.1 137.19 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.451 0.643 . . . . 0.0 111.217 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 11.0 m120 59.87 29.61 19.17 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.681 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.7 13.1 74.79 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.836 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -134.15 151.97 51.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.769 0.319 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 129.88 41.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.2 tt -75.87 125.91 29.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 10.3 p -143.87 51.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.087 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -165.13 148.92 8.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.6 tpmp? -97.08 151.97 19.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.954 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 34.9 t0 62.83 58.51 1.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.08 137.79 33.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.731 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.409 ' O ' ' CG2' ' A' ' 118' ' ' ILE . 8.6 tp -98.66 118.03 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.34 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.4 tt -103.1 134.63 46.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -125.77 178.15 5.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.821 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.428 ' HB2' ' CE2' ' A' ' 137' ' ' TYR . 9.1 t30 -53.67 143.67 19.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.52 51.37 26.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.459 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.12 120.84 40.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.829 0.347 . . . . 0.0 111.057 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -91.85 125.74 36.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.745 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.427 ' HB ' ' CE1' ' A' ' 133' ' ' PHE . 2.2 mp -126.65 137.87 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.325 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 28.7 t -120.0 127.58 75.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.432 ' CE1' ' CG2' ' A' ' 105' ' ' THR . 3.3 m-85 -114.56 137.61 51.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.118 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 80.99 -67.49 3.59 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.446 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.6 -34.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.762 0.315 . . . . 0.0 111.044 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.31 -42.03 3.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.271 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 51.8 m -54.16 106.03 0.18 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.928 0.394 . . . . 0.0 111.102 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.3 m -124.2 128.67 49.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.78 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.427 ' CE1' ' HB ' ' A' ' 125' ' ' ILE . 12.2 p90 -141.98 155.86 45.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.087 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 10.1 tt -118.55 139.4 51.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.765 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.437 ' CE1' HD12 ' A' ' 95' ' ' ILE . 21.5 t80 -100.45 141.51 33.2 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 122.023 0.916 . . . . 0.0 111.769 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -154.63 159.74 41.0 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 113.807 -1.542 . . . . 0.0 110.906 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.428 ' CE2' ' HB2' ' A' ' 121' ' ' ASN . 4.4 m-85 -86.11 139.99 30.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.995 0.426 . . . . 0.0 110.634 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.436 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . . . -84.23 89.77 7.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.262 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 29.1 t -156.93 163.25 39.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 22.7 t -131.84 -65.32 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 66.7 m -130.32 139.33 50.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.8 m -129.54 31.42 4.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 10.7 m -89.52 -48.55 7.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -171.03 100.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 19.3 mt -102.54 25.05 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.329 0 CA-C-O 121.691 0.758 . . . . 0.0 111.314 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -106.68 106.56 17.14 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 114.581 -1.19 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.61 -49.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -155.75 116.87 3.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.11 -68.1 0.83 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -115.84 -62.19 1.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -126.47 -176.91 3.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 31.1 m -90.17 51.38 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 70.8 m -97.54 -176.84 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 8.6 p -154.73 -65.33 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.19 109.58 21.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 29.3 t -65.1 143.41 57.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.47 102.47 8.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.979 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.9 m -141.83 166.09 25.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 120.779 0.323 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.1 142.63 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -63.38 114.11 11.86 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.829 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -56.05 -165.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.462 2.108 . . . . 0.0 112.271 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -139.94 170.07 16.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.18 93.96 9.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.767 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.21 156.68 31.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.898 179.959 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.819 0.342 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -103.53 102.25 12.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -111.83 128.43 56.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.06 31.36 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -162.54 138.34 7.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.7 p -143.65 176.64 9.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -147.31 -47.36 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -130.43 150.83 77.34 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -57.86 157.54 23.88 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.521 2.148 . . . . 0.0 112.21 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.0 m -115.55 -58.3 2.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m -152.98 152.63 31.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -74.1 179.39 4.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.402 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 6.5 m-85 -69.8 -101.88 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.51 128.68 22.28 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-O 120.725 0.298 . . . . 0.0 110.633 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.6 t -76.47 128.37 34.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.84 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 tt -144.9 -44.73 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.192 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -126.97 173.03 18.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.648 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.429 ' CD2' ' HA ' ' A' ' 49' ' ' GLU . 50.8 m80 -145.47 163.23 35.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mt -124.76 126.31 45.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.799 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.7 t -108.9 123.57 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.099 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -89.92 120.18 30.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.752 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.5 106.94 17.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.544 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 9.1 mm -124.15 141.3 36.89 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.53 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.544 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 45.7 Cg_endo -70.97 -3.87 13.68 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.183 1.922 . . . . 0.0 112.895 -179.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -114.71 -9.3 14.45 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.589 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.23 -175.26 0.06 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.757 0.313 . . . . 0.0 110.801 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -137.56 136.22 37.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.843 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -120.96 135.69 55.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.97 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -113.09 130.98 55.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.8 t -120.55 149.76 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.429 ' HA ' ' CD2' ' A' ' 36' ' ' HIS . 1.5 pt-20 -101.77 132.37 47.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.691 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.436 ' O ' HG21 ' A' ' 50' ' ' ILE . 2.7 tt -115.34 132.08 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.122 0.486 . . . . 0.0 111.359 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.402 ' HB ' ' HB2' ' A' ' 31' ' ' TYR . 0.6 OUTLIER -99.8 168.02 10.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.988 -179.621 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -80.92 62.03 4.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.097 0.475 . . . . 0.0 110.114 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.59 ' C ' ' H ' ' A' ' 55' ' ' VAL . 9.0 ttt85 -80.16 1.47 28.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.158 -179.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.403 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 10.0 t-20 71.9 -36.3 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -178.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.59 ' H ' ' C ' ' A' ' 53' ' ' ARG . 74.8 t -137.28 139.15 44.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.781 179.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 80' ' ' PHE . 53.7 m -125.27 125.18 43.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.165 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.2 OUTLIER -103.83 120.41 40.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.94 0.4 . . . . 0.0 110.831 -179.849 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.8 mt -109.33 122.17 63.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.077 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.44 -154.55 20.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.484 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.417 ' CG ' HG22 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -93.36 -26.58 17.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.666 0.27 . . . . 0.0 110.983 -179.904 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 t -51.29 150.8 3.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.07 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -75.89 -33.49 59.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.1 m -69.79 -20.58 63.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.048 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 3.4 m -53.17 135.29 38.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.058 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.421 ' HB3' ' CG2' ' A' ' 56' ' ' THR . 8.4 t70 -58.19 -41.01 82.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.062 0.458 . . . . 0.0 110.615 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.8 t -124.86 111.9 29.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.1 mp -92.88 118.53 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.15 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.9 mp -72.17 -176.06 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 m -112.24 27.29 9.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.265 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.36 120.36 49.83 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.58 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -57.68 -16.17 23.7 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.506 2.137 . . . . 0.0 112.865 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -133.48 37.2 3.34 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.583 0.23 . . . . 0.0 111.591 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.417 HG22 ' CG ' ' A' ' 60' ' ' ARG . 3.6 tp -75.99 146.56 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.308 . . . . 0.0 110.838 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.09 130.51 46.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.234 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.4 m -68.39 -44.07 75.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.633 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 77' ' ' HIS . 49.6 m-85 -100.66 13.89 33.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.162 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.5 ' CD2' ' CD2' ' A' ' 127' ' ' PHE . 2.7 t60 -21.96 -67.48 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.584 -1.189 . . . . 0.0 112.656 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.424 ' HB1' ' CZ ' ' A' ' 127' ' ' PHE . . . -156.28 161.92 40.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.965 0.412 . . . . 0.0 111.774 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -128.67 133.99 48.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.496 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' THR . 7.6 m-85 -119.54 127.28 52.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.857 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.403 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 11.1 m170 -94.86 116.47 28.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.902 0.382 . . . . 0.0 111.364 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 22.8 tp -106.62 109.66 21.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.572 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.3 tt -122.14 140.07 52.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -100.5 121.0 40.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.74 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.2 138.57 51.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -103.38 115.9 31.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.3 p -140.0 127.17 23.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.033 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 65.64 -171.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.765 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.83 -57.4 5.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.285 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -84.87 -176.46 6.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -128.23 143.28 51.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -117.03 146.0 43.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.956 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -113.95 126.6 55.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 11.7 mt -108.39 135.79 49.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.1 mp -121.36 136.78 57.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.152 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.5 144.11 43.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.734 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.452 ' CG1' ' CZ ' ' A' ' 80' ' ' PHE . 21.8 t -110.05 129.73 64.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.255 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.485 HG21 HD11 ' A' ' 98' ' ' ILE . 24.9 mm -126.25 130.46 72.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.059 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -130.24 130.35 44.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.45 9.48 37.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.399 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 m 59.11 109.55 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.855 0.359 . . . . 0.0 111.074 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.28 -47.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.805 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -127.24 -43.62 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.177 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 145.17 110.91 0.7 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.436 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.78 123.56 41.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.34 . . . . 0.0 111.039 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -120.98 137.44 54.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.407 HD13 ' ND2' ' A' ' 108' ' ' ASN . 3.2 tp -122.93 137.19 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.451 0.643 . . . . 0.0 111.374 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.407 ' ND2' HD13 ' A' ' 107' ' ' ILE . 13.7 m120 64.35 27.46 13.7 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.794 -179.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.67 10.77 72.09 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.975 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -134.06 150.7 51.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.785 0.326 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.93 136.45 54.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.4 pp -77.37 141.72 39.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.974 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 11.1 p -128.5 -44.91 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.098 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.44 158.01 28.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -94.22 153.22 18.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.978 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.6 t70 60.1 75.32 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -84.07 139.16 32.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 8.2 tp -98.55 119.26 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.205 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.41 HD23 ' CD2' ' A' ' 135' ' ' PHE . 10.5 tt -103.02 139.48 38.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.017 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -135.05 178.07 7.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.809 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 8.2 p-10 -57.04 140.52 48.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 74.71 37.45 45.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.398 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.64 129.0 56.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.727 0.298 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.65 129.56 47.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.421 ' HB ' ' CE2' ' A' ' 133' ' ' PHE . 2.0 mp -124.09 136.28 60.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.013 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 38.0 t -115.04 128.51 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.133 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.5 ' CD2' ' CD2' ' A' ' 77' ' ' HIS . 2.8 m-85 -110.37 140.32 44.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 72.35 -64.67 1.35 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.436 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 170.26 -35.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.753 0.311 . . . . 0.0 110.951 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.3 -42.8 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.511 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 71.8 m -55.55 107.09 0.29 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.148 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.3 m -124.23 128.86 49.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.822 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.421 ' CE2' ' HB ' ' A' ' 125' ' ' ILE . 16.4 p90 -142.0 156.1 45.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.917 0.389 . . . . 0.0 111.065 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 6.0 tt -120.56 138.93 53.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.746 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.41 ' CD2' HD23 ' A' ' 119' ' ' LEU . 81.9 t80 -103.45 141.71 35.51 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 121.979 0.895 . . . . 0.0 111.849 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -154.27 147.43 24.74 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 113.848 -1.523 . . . . 0.0 110.701 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 137' ' ' TYR . 0.5 OUTLIER -78.64 139.48 38.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.919 0.39 . . . . 0.0 110.841 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -107.57 130.21 54.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.087 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 57.2 p -121.24 88.61 2.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.44 30.56 20.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 18.6 p -67.45 146.71 53.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.1 t -133.48 155.45 49.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 37.1 p -139.92 35.87 1.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.85 144.91 13.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 19.6 mm -102.5 25.34 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 CA-C-O 121.651 0.739 . . . . 0.0 111.359 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 61.54 32.81 18.66 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 114.581 -1.19 . . . . 0.0 110.832 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -154.84 94.95 1.71 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -148.39 -48.32 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -81.27 114.24 19.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.43 163.03 17.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -153.45 131.79 12.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 26.3 t -119.85 122.65 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.138 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.7 m -123.16 48.22 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.89 -65.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -152.08 129.25 11.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 1.7 p -80.91 -177.54 6.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 3.7 mmt-85 -66.53 136.53 55.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 14.3 p -129.35 -45.83 1.22 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.4 m120 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.811 0.339 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 19.4 mt -119.6 148.63 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.079 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -114.08 150.42 43.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.39 -168.11 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.597 2.198 . . . . 0.0 112.326 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -123.89 54.46 1.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.986 0.422 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 59.51 -170.78 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 55.9 m -90.97 -178.03 5.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.881 180.0 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.814 0.34 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 60.0 107.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.6 93.31 4.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -146.35 -68.68 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -70.13 -46.41 64.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.808 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.5 m 60.19 177.76 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -157.16 139.14 14.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.1 132.24 21.56 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.84 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -57.81 147.13 82.7 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.383 2.055 . . . . 0.0 112.205 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.49 149.08 25.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 m -98.6 30.24 3.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.95 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.16 119.8 24.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -67.08 -99.86 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.41 130.24 24.52 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.755 0.312 . . . . 0.0 110.488 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.89 144.97 47.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.088 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -150.1 -46.1 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.775 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.99 -175.77 22.47 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.366 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -147.15 162.41 38.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.897 0.38 . . . . 0.0 111.072 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.5 mp -126.9 124.68 40.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.638 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.56 121.96 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.073 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -89.43 113.96 25.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -77.7 106.83 9.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.0 mt -124.08 138.96 31.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.962 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.59 -25.73 26.81 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.489 2.126 . . . . 0.0 112.523 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.25 -29.74 18.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.563 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.24 -167.79 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.48 129.83 50.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.971 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.32 127.67 49.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.63 130.25 46.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.034 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 37.6 t -122.45 149.52 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -101.93 135.5 43.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.958 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.8 tt -116.13 132.06 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.167 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -101.62 168.05 9.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.994 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -92.45 66.8 4.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.148 0.499 . . . . 0.0 110.332 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.614 ' C ' ' H ' ' A' ' 55' ' ' VAL . 14.8 ttt85 -85.37 7.58 21.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.996 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.42 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 1.0 OUTLIER 71.73 -38.4 0.42 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 -178.684 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.614 ' H ' ' C ' ' A' ' 53' ' ' ARG . 77.7 t -137.35 135.2 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.255 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 80' ' ' PHE . 97.2 m -125.2 131.33 53.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.449 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.409 ' N ' ' HB2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.88 137.32 42.05 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.935 0.398 . . . . 0.0 110.875 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.447 ' CD1' ' CE1' ' A' ' 80' ' ' PHE . 26.9 mt -121.59 119.07 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.15 -140.67 6.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.295 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.5 ttt-85 -113.1 -21.21 11.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.67 0.271 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.6 152.21 0.72 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.9 0.381 . . . . 0.0 111.304 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.35 -40.34 67.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.6 t -72.1 -19.56 61.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.367 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 18.0 m -54.85 160.02 2.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.726 0.298 . . . . 0.0 111.004 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.422 ' HB2' HG23 ' A' ' 56' ' ' THR . 1.0 OUTLIER -80.7 -66.07 0.93 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.01 0.433 . . . . 0.0 110.845 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.6 t -97.6 108.44 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.181 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.7 pt -91.92 104.9 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.045 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.3 mp -72.37 -176.79 1.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.42 37.23 4.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.95 124.24 44.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.701 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -56.0 -18.62 23.2 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.475 2.117 . . . . 0.0 112.713 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -127.77 33.31 4.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.694 0.283 . . . . 0.0 111.215 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.2 tp -76.15 125.31 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 111.065 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.409 ' HB3' ' CG ' ' A' ' 77' ' ' HIS . 26.5 t -57.06 131.99 51.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.3 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.6 m -63.07 -44.02 96.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.732 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.461 ' O ' ' C ' ' A' ' 77' ' ' HIS . 7.5 m-85 -103.95 13.81 31.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.3 0.571 . . . . 0.0 111.263 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' A' ' 76' ' ' PHE . 1.8 t-160 -16.03 -68.38 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.548 -1.205 . . . . 0.0 112.909 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.55 160.24 42.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.092 0.472 . . . . 0.0 112.058 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -125.61 133.63 52.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.132 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 56' ' ' THR . 7.2 m-85 -119.43 131.03 55.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.786 0.326 . . . . 0.0 111.107 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.42 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 7.8 m-70 -94.99 116.29 28.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.905 0.383 . . . . 0.0 110.971 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.67 109.7 21.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.765 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.05 140.01 53.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.068 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -108.61 120.96 43.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.766 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -128.55 127.31 42.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -107.04 123.32 48.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.01 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.0 t -121.58 135.65 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.971 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 70.1 -61.76 0.45 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -171.4 -41.59 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.813 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -65.92 -172.87 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.768 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.28 127.83 50.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -117.04 117.4 29.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -113.81 130.97 56.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.068 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.8 mt -122.99 136.33 54.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.681 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.432 HD12 ' CE1' ' A' ' 135' ' ' PHE . 3.9 mp -118.65 134.9 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.148 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.15 140.63 48.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.739 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 18.5 t -105.16 134.92 45.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.215 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 28.1 mm -129.05 121.11 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.061 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -111.04 128.79 55.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.46 35.2 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.3 m -116.75 -178.18 3.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.82 79.81 1.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -153.83 -59.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.26 107.77 0.59 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.467 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.456 ' CG2' ' CE1' ' A' ' 127' ' ' PHE . 90.2 m -115.09 127.22 55.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 110.987 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -121.04 115.04 22.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.762 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.7 tp -116.01 137.23 50.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.468 0.651 . . . . 0.0 111.401 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 61.58 27.04 16.61 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.69 11.83 73.47 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.881 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -134.08 151.95 51.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.834 0.35 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 -71.95 136.76 46.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 tt -78.21 130.7 36.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 11.0 p -121.29 -44.99 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -93.01 143.63 26.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.84 167.51 20.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.998 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.2 t70 60.69 64.44 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -83.92 138.79 32.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.407 ' O ' ' CG2' ' A' ' 118' ' ' ILE . 8.1 tp -98.68 120.73 48.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.98 0.419 . . . . 0.0 111.278 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.0 tt -103.09 132.92 48.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.0 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -130.1 178.19 6.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.453 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 6.1 p30 -52.29 146.58 9.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 64.57 44.79 94.59 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.363 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.19 118.6 32.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 111.067 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.11 123.91 34.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.671 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.5 mp -114.87 131.35 67.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.286 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 25.9 t -119.7 132.48 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.456 ' CE1' ' CG2' ' A' ' 105' ' ' THR . 35.7 m-85 -128.79 139.26 52.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.051 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 86.84 -69.35 3.1 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.337 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 9.8 pttp 170.19 -33.41 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.728 0.299 . . . . 0.0 110.989 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.9 p -112.38 -39.17 4.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.456 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 23.9 m -54.79 104.25 0.11 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.899 0.38 . . . . 0.0 111.233 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 58.0 m -124.59 123.82 40.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.816 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -142.1 156.32 45.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.095 0.474 . . . . 0.0 111.305 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 5.7 tp -114.3 136.97 52.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.651 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.432 ' CE1' HD12 ' A' ' 95' ' ' ILE . 28.4 t80 -104.14 141.66 35.85 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.988 0.899 . . . . 0.0 111.907 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -154.3 157.57 38.86 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 113.81 -1.541 . . . . 0.0 110.709 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 121' ' ' ASN . 4.6 m-85 -84.77 139.95 31.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.015 0.436 . . . . 0.0 110.756 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -139.66 87.53 2.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.052 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.95 -55.04 3.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 77.8 p -78.51 -63.77 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.02 116.78 4.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.3 m -158.45 -58.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -142.81 154.79 44.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -97.95 -33.28 11.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.478 ' CG2' ' N ' ' A' ' 146' ' ' GLU . 0.4 OUTLIER -117.37 -151.03 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.433 -1.324 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.478 ' N ' ' CG2' ' A' ' 145' ' ' ILE . 8.5 tt0 -162.48 122.24 2.35 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -164.4 87.39 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -170.75 -57.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -108.31 108.39 19.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.984 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.75 158.74 20.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.45 -72.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 11.0 p -103.69 148.76 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.073 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.2 m -104.27 -68.78 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.37 -179.35 3.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.811 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.29 -31.65 10.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.67 176.91 4.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -121.81 102.21 8.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.99 118.34 7.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.1 t30 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.869 0.366 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 14.0 mt 64.2 136.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -86.87 148.2 45.09 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.17 -168.17 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.508 2.139 . . . . 0.0 112.324 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -142.54 151.11 41.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.3 104.07 3.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.812 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 4.8 m -70.98 122.51 20.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.2 p . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.85 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.793 0.33 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -85.31 -31.43 23.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.961 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.63 155.61 22.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.9 -46.45 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 ttt85 -73.68 -172.46 1.25 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.2 m 59.83 99.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -137.32 -45.72 0.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.025 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.508 ' CB ' ' HD3' ' A' ' 27' ' ' PRO . 1.5 mmtm -141.16 -59.95 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.424 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.508 ' HD3' ' CB ' ' A' ' 26' ' ' LYS . 35.5 Cg_exo -57.81 156.45 28.02 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.173 1.915 . . . . 0.0 112.278 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.62 163.54 27.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.954 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -77.19 -51.38 11.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -149.93 160.89 43.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -62.43 -106.76 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.713 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.28 136.16 33.01 Favored 'General case' 0 C--N 1.334 -0.067 0 CA-C-O 120.802 0.334 . . . . 0.0 110.579 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.81 144.7 47.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.094 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -147.5 -46.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.813 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.66 -173.29 19.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.361 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.424 ' CE1' ' HB1' ' A' ' 138' ' ' ALA . 55.2 m80 -147.08 162.85 37.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.023 0.439 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mt -127.01 110.53 13.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.634 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -96.37 121.84 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.327 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -90.14 115.54 27.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 mp -95.0 106.85 18.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.799 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.4 mt -124.15 139.23 32.25 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.015 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.84 89.6 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.463 2.109 . . . . 0.0 112.247 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.2 51.92 1.82 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 175.02 -176.79 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.867 0.365 . . . . 0.0 110.839 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -175.95 136.43 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -139.65 127.85 22.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -113.0 127.69 56.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.2 t -120.15 151.03 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.216 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -101.57 134.47 44.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.4 tt -116.07 132.04 66.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.306 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.22 165.18 12.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.981 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -77.61 64.64 2.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.079 0.466 . . . . 0.0 110.298 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.592 ' C ' ' H ' ' A' ' 55' ' ' VAL . 11.7 ttt-85 -81.89 2.54 30.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.097 -179.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.417 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 4.0 m120 71.37 -38.0 0.41 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.592 ' H ' ' C ' ' A' ' 53' ' ' ARG . 74.9 t -137.27 137.22 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.775 179.265 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 80' ' ' PHE . 86.9 m -125.23 130.05 51.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.146 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.83 140.73 37.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.932 0.396 . . . . 0.0 111.322 -179.618 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.453 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 4.5 mp -132.38 130.56 60.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.3 -121.18 0.97 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.14 -1.028 . . . . 0.0 113.372 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.415 ' HB2' ' CG2' ' A' ' 73' ' ' ILE . 1.4 ttt-85 -119.77 -43.9 2.55 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.736 0.303 . . . . 0.0 111.367 -179.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 t -41.88 150.29 0.12 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.549 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.99 -30.73 58.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.934 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.9 m -69.91 -20.68 63.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 34.6 m -57.92 158.39 6.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.789 0.328 . . . . 0.0 110.862 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' THR . 0.8 OUTLIER -73.28 -57.84 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 111.195 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' A' ' 58' ' ' ILE . 25.4 t -124.32 133.05 70.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.841 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 16.6 pt -99.66 128.21 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.597 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.7 -79.47 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.187 -179.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 9.1 t -102.35 -104.15 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.51 ' CB ' ' CD ' ' A' ' 71' ' ' PRO . 0.0 OUTLIER 167.72 -68.44 0.0 OUTLIER Pre-proline 0 CA--C 1.531 0.222 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 179.441 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 70' ' ' GLU . 43.4 Cg_endo -67.62 -40.2 10.61 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.42 2.08 . . . . 0.0 113.81 -178.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -118.98 34.3 5.28 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.415 ' CG2' ' HB2' ' A' ' 60' ' ' ARG . 4.7 tp -110.99 126.21 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.955 0.407 . . . . 0.0 111.184 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 m -59.06 132.35 53.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.155 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.93 -31.51 72.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 77' ' ' HIS . 7.8 m-85 -111.99 13.81 20.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.318 0.58 . . . . 0.0 111.285 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 76' ' ' PHE . 1.1 t60 -18.23 -70.77 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.451 -1.249 . . . . 0.0 113.224 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -155.26 164.12 39.22 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.112 0.482 . . . . 0.0 112.07 -179.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -131.83 137.6 48.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.384 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' THR . 44.6 m-85 -119.37 129.03 54.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.852 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.417 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 7.3 m-70 -94.98 116.05 28.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.857 0.36 . . . . 0.0 111.068 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.7 tp -106.76 109.73 21.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.755 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.2 tt -121.41 140.11 52.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.138 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -127.91 120.97 28.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.82 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -134.46 142.03 46.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.81 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -99.68 115.96 30.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.0 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.0 m -113.23 119.26 60.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 t70 77.16 -54.22 0.55 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.061 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -175.55 -39.53 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.825 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.409 ' CD1' ' HA ' ' A' ' 143' ' ' THR . 95.2 m-85 -79.98 158.29 26.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -101.18 131.92 46.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -111.39 128.31 55.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -113.58 129.14 56.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.0 mt -131.22 137.93 49.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.403 ' CD1' ' CE1' ' A' ' 135' ' ' PHE . 4.0 mp -120.39 139.46 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.071 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.95 134.57 55.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.429 ' HB ' ' HB3' ' A' ' 117' ' ' TYR . 20.7 t -99.95 122.73 52.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.24 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 9.2 mt -130.05 120.92 50.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.797 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -109.47 129.31 55.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.011 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.1 -9.29 59.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.328 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.7 m 66.92 98.63 0.05 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.806 0.336 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.19 -55.51 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -110.29 -38.96 5.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 124.27 107.87 1.77 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.512 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.9 m -107.06 126.28 52.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.36 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -112.18 126.59 55.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.9 tp -114.94 137.38 48.61 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-O 121.482 0.658 . . . . 0.0 111.298 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 62.77 27.54 16.11 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.58 11.67 72.83 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.945 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -134.06 151.95 51.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.787 0.327 . . . . 0.0 110.844 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.26 130.07 40.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.853 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.0 tp -100.05 142.06 32.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 14.5 p -128.38 30.96 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.01 176.77 4.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -119.03 -40.79 2.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.11 69.48 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.952 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.429 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 10.7 t80 -84.17 139.34 32.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.79 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 8.8 tp -98.43 121.62 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.187 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.5 tt -102.96 138.64 39.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.002 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -122.82 171.13 9.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.43 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 5.9 p-10 -58.12 138.26 56.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 77.51 49.56 7.2 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.495 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.27 127.94 47.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.757 0.313 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 13.5 mtt-85 -89.26 122.6 32.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.803 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.8 mp -123.12 129.6 74.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.8 t -111.65 134.06 55.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.039 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.419 ' CD2' ' CD2' ' A' ' 77' ' ' HIS . 5.2 m-85 -116.37 137.25 52.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.011 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.68 -64.9 2.55 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.463 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 170.44 -35.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.34 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 18.2 p -106.81 -38.09 6.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.305 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 22.7 m -57.82 105.85 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.906 0.384 . . . . 0.0 111.06 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 72.4 p -124.47 120.8 33.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.192 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 133' ' ' PHE . 1.8 p90 -142.03 152.64 43.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.778 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 5.5 tt -114.48 139.96 49.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.005 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.403 ' CE1' ' CD1' ' A' ' 95' ' ' ILE . 21.8 t80 -106.87 141.71 37.66 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 121.883 0.849 . . . . 0.0 111.539 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -154.52 155.6 35.13 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 114.047 -1.433 . . . . 0.0 110.954 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.43 ' CE2' ' HB3' ' A' ' 121' ' ' ASN . 1.2 m-85 -79.11 139.9 37.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.923 0.392 . . . . 0.0 110.578 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.424 ' HB1' ' CE1' ' A' ' 36' ' ' HIS . . . -89.44 80.48 6.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.002 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.5 p -160.0 -178.52 7.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.838 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -176.7 128.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.32 34.26 22.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.2 m -105.32 -42.73 5.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.409 ' HA ' ' CD1' ' A' ' 90' ' ' PHE . 41.7 p -121.29 159.92 25.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.06 87.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.472 ' CG2' ' H ' ' A' ' 146' ' ' GLU . 2.4 mt -110.64 -143.3 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.436 -1.134 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.472 ' H ' ' CG2' ' A' ' 145' ' ' ILE . 6.2 mt-10 -159.36 76.98 0.7 Allowed 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -147.66 100.06 3.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.27 86.07 3.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.58 78.61 9.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -127.84 -67.5 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 10.8 mttp 61.5 30.52 18.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.814 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 26.8 t -112.34 -43.05 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.048 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.7 t -122.59 50.46 1.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 53.5 p -108.23 -41.76 4.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -172.71 160.14 4.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 37.6 m -93.99 122.94 37.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.02 32.97 3.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.38 -48.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 38.6 p90 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.911 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 t30 . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 120.832 0.348 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 4.2 mt -71.02 89.17 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.14 145.47 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.109 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.03 -167.63 0.49 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.618 2.212 . . . . 0.0 112.163 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -114.49 155.97 25.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.944 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.9 169.02 18.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -86.35 164.79 16.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.811 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 43.5 p . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.859 -179.927 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.805 0.336 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.2 mtt85 -150.5 -179.24 7.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.49 -51.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -104.54 166.77 10.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.7 mtt85 -139.47 177.67 7.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.2 t 60.38 110.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -107.63 97.32 7.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.971 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.22 93.93 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.991 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -68.9 150.82 73.74 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.456 2.104 . . . . 0.0 112.261 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 55.4 p -165.11 -167.2 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m 63.28 103.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.948 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -69.8 175.27 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -106.4 -112.62 0.27 Allowed 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.24 128.9 23.0 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.836 0.35 . . . . 0.0 110.64 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.41 145.03 49.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.008 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.14 -46.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.475 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -139.03 166.73 25.35 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.084 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.416 ' CE1' ' CB ' ' A' ' 138' ' ' ALA . 28.3 m80 -134.27 160.27 38.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.895 0.379 . . . . 0.0 111.097 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.5 mt -124.72 115.03 20.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.782 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.2 t -96.01 121.89 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.143 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.14 116.69 28.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.776 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mp -99.01 106.95 19.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.54 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 3.8 mp -124.19 141.28 36.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.831 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.54 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 56.7 Cg_endo -73.26 87.79 1.03 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.169 1.913 . . . . 0.0 111.984 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.29 19.9 4.93 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.46 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 ttpp 179.96 166.43 1.24 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.812 0.339 . . . . 0.0 110.697 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.05 145.32 25.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.953 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -137.54 139.97 40.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -113.06 125.85 54.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.7 t -122.73 149.03 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.175 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -107.96 142.08 38.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 23.9 mm -116.1 131.49 68.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.376 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.47 168.23 9.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.3 p30 -91.24 66.9 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.094 0.473 . . . . 0.0 110.429 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.613 ' C ' ' H ' ' A' ' 55' ' ' VAL . 20.1 ttt180 -88.07 10.05 20.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.896 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 0.5 OUTLIER 71.47 -39.34 0.45 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -178.584 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.613 ' H ' ' C ' ' A' ' 53' ' ' ARG . 94.5 t -137.56 137.26 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.254 178.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 80' ' ' PHE . 60.6 m -125.31 129.18 49.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.333 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.417 ' HB ' ' HA ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -103.94 137.93 41.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.96 0.41 . . . . 0.0 111.065 -179.769 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.44 ' CD1' ' CE1' ' A' ' 80' ' ' PHE . 8.2 mt -128.56 118.3 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.29 -141.19 5.61 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.544 -0.836 . . . . 0.0 113.047 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.416 ' HD2' ' O ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -101.25 -30.79 11.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.776 0.322 . . . . 0.0 111.038 -179.631 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.34 157.85 0.12 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.411 -179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.449 ' HB2' ' P ' ' B' ' 5' ' ' TPO . 11.2 ttm180 -85.45 -35.21 21.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.711 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.07 -21.46 63.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.417 ' HA ' ' HB ' ' A' ' 57' ' ' THR . 67.0 m -52.55 155.94 2.01 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.425 ' CG ' ' HA ' ' A' ' 56' ' ' THR . 1.4 m-20 -73.06 -59.02 2.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.39 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.3 t -110.97 131.91 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.141 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.1 pp -97.35 104.92 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.854 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.417 ' CD2' HD13 ' A' ' 73' ' ' ILE . 2.2 tp -73.74 -152.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.118 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.557 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 16.3 t -35.91 -88.95 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 117.463 0.12 . . . . 0.0 111.1 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.557 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.5 OUTLIER 143.37 -67.17 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.661 0 C-N-CA 123.162 0.585 . . . . 0.0 111.129 179.048 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 70' ' ' GLU . 40.9 Cg_endo -67.28 -13.86 40.91 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.509 2.139 . . . . 0.0 113.415 -179.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -139.71 26.03 2.33 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.756 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.417 HD13 ' CD2' ' A' ' 68' ' ' LEU . 6.3 tp -106.67 144.66 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.009 0.433 . . . . 0.0 111.423 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 63.3 m -87.46 130.87 34.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.234 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.0 m -55.66 -34.89 65.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.139 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -112.12 14.16 20.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.19 0.519 . . . . 0.0 111.582 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -28.4 -68.74 0.06 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.865 -1.061 . . . . 0.0 112.759 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -149.9 164.08 36.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.158 0.504 . . . . 0.0 112.115 -179.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.9 137.43 41.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.436 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' THR . 7.0 m-85 -119.45 131.23 55.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.012 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.402 ' CD2' HD13 ' A' ' 98' ' ' ILE . 9.7 m-70 -94.86 116.82 29.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.87 0.367 . . . . 0.0 111.16 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 0.1 OUTLIER -106.29 109.41 21.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.795 179.744 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.32 140.11 53.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -99.65 131.44 45.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.03 118.74 37.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -84.28 122.75 29.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.076 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.0 t -140.03 139.38 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.947 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -44.73 -66.33 0.41 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.519 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -49.9 -79.93 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.28 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -139.07 148.06 42.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.74 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -82.8 128.04 34.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.002 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 -117.05 139.44 50.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -114.02 131.65 56.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.8 mp -105.95 141.93 36.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.67 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.429 HG13 ' CE1' ' A' ' 135' ' ' PHE . 12.0 mm -116.73 138.65 46.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.219 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.09 144.13 44.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.567 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.403 HG11 ' CZ ' ' A' ' 80' ' ' PHE . 14.5 t -115.52 135.02 56.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.268 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.402 HD13 ' CD2' ' A' ' 81' ' ' HIS . 27.0 mt -124.15 137.27 57.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -107.89 114.93 29.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.021 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -143.28 51.25 1.38 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.799 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.65 172.83 8.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.996 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -110.53 -30.96 7.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.749 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -65.65 -74.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.216 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 170.86 142.21 3.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.769 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.433 HG21 ' CD1' ' A' ' 127' ' ' PHE . 82.9 m -131.99 122.85 26.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.732 0.301 . . . . 0.0 110.652 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -121.07 121.23 37.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.006 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.1 tp -117.67 137.25 52.2 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 CA-C-O 121.502 0.668 . . . . 0.0 111.231 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 60.28 31.0 20.3 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.738 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.61 13.1 74.46 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.823 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -134.11 152.01 51.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 110.795 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 -70.42 142.78 51.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.5 tt -77.46 121.91 24.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 30.7 m -138.64 30.88 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.072 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.05 149.72 33.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.42 141.85 28.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 25.4 t70 62.63 70.73 0.55 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -84.08 139.1 32.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.79 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.408 ' O ' ' CG2' ' A' ' 118' ' ' ILE . 8.6 tp -98.69 118.14 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.042 0.449 . . . . 0.0 111.313 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.5 tt -103.09 144.19 31.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.962 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -136.13 178.04 7.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.72 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.427 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 8.4 p-10 -58.93 140.51 55.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 74.97 42.51 29.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -121.66 118.53 29.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.361 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.31 119.41 30.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.779 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.448 ' CG2' ' CE1' ' A' ' 133' ' ' PHE . 3.6 tt -118.05 137.53 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.234 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 25.3 t -116.56 132.33 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.931 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.433 ' CD1' HG21 ' A' ' 105' ' ' THR . 18.9 m-85 -122.22 134.59 54.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 83.65 -68.07 3.61 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.371 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 171.2 -33.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.618 0.247 . . . . 0.0 110.969 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 95.8 p -110.42 -41.23 4.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.372 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 38.3 m -56.37 102.02 0.07 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.106 0.479 . . . . 0.0 111.288 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.7 t -124.87 119.89 30.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.448 ' CE1' ' CG2' ' A' ' 125' ' ' ILE . 27.5 p90 -142.05 156.15 45.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.873 0.368 . . . . 0.0 111.203 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.5 tp -113.35 140.01 48.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.808 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.429 ' CE1' HG13 ' A' ' 95' ' ' ILE . 26.0 t80 -105.14 141.47 36.64 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.947 0.88 . . . . 0.0 111.816 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -154.69 155.96 35.55 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 113.869 -1.514 . . . . 0.0 110.893 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 121' ' ' ASN . 5.5 m-85 -86.01 139.56 31.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.743 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.416 ' CB ' ' CE1' ' A' ' 36' ' ' HIS . . . -113.47 132.52 55.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 41.9 p -142.51 -48.17 0.34 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.97 40.8 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 17.7 m 61.05 175.51 0.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.943 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 22.2 p -105.05 -43.27 5.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.58 -179.04 1.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.76 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -135.4 84.21 2.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.971 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.475 ' CG2' ' H ' ' A' ' 146' ' ' GLU . 0.8 OUTLIER -111.21 -143.33 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.437 -1.108 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.475 ' H ' ' CG2' ' A' ' 145' ' ' ILE . 8.9 mm-40 -114.14 -175.61 2.72 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 61.69 177.45 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -134.6 94.41 3.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -128.38 165.19 21.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -124.3 36.26 4.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.68 95.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.84 105.92 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.03 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 27.1 t -85.39 100.03 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 14.4 p -152.15 167.24 29.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -150.39 -47.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 1.4 m -122.55 163.85 19.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 10.1 tpt85 -115.07 31.58 6.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.4 m -163.19 31.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 35.4 t80 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.941 179.935 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.794 0.331 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 pt -93.16 -179.04 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' TPO . . . . . 0.449 ' P ' ' HB2' ' A' ' 62' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -65.44 155.38 85.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.2 -171.68 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.603 2.202 . . . . 0.0 112.238 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -128.68 145.77 51.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.794 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -69.13 146.91 52.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.88 162.93 28.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.93 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.903 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.864 0.364 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -99.91 126.42 46.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.82 -40.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -76.15 168.66 19.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -109.01 -25.73 10.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.5 m 65.63 43.77 3.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.826 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m120 61.06 -177.29 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -159.26 104.44 1.53 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.86 159.1 18.6 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.464 2.109 . . . . 0.0 112.186 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m 63.19 104.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.0 t -107.18 -23.39 12.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.205 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 63.66 90.16 0.08 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.918 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.41 ' N ' HG22 ' A' ' 51' ' ' THR . 8.2 m-85 -59.48 -102.8 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.919 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.42 128.92 22.74 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.72 0.295 . . . . 0.0 110.627 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.2 132.2 53.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.072 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.62 -47.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.624 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -140.37 -172.14 12.75 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.175 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -145.82 164.38 32.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.956 0.408 . . . . 0.0 111.051 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 mp -127.24 127.49 44.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.758 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.8 t -110.51 121.98 64.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -88.21 113.95 24.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.836 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mp -93.29 106.79 18.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.535 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 3.6 mp -124.18 141.01 36.15 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.535 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 46.5 Cg_endo -71.74 77.36 1.84 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.122 1.881 . . . . 0.0 111.803 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.54 31.07 1.09 Allowed Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.247 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 175.29 -170.25 0.05 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.808 0.337 . . . . 0.0 110.716 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -178.43 151.17 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -146.43 130.22 17.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.12 126.41 55.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.976 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 42.9 t -125.11 148.53 29.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.161 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -94.24 137.89 32.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.759 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.426 ' O ' HG22 ' A' ' 50' ' ' ILE . 13.0 tt -116.14 132.13 66.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.052 0.453 . . . . 0.0 111.442 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -100.89 168.13 9.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.93 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -77.03 63.13 2.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.023 0.44 . . . . 0.0 110.29 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.581 ' C ' ' H ' ' A' ' 55' ' ' VAL . 4.4 ttt85 -81.55 0.88 36.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.051 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.466 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 0.9 OUTLIER 71.72 -36.46 0.36 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -178.761 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.581 ' H ' ' C ' ' A' ' 53' ' ' ARG . 73.8 t -137.45 138.78 44.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.746 179.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 80' ' ' PHE . 0.7 OUTLIER -125.31 128.32 48.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.5 179.828 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.88 137.45 41.85 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.822 0.344 . . . . 0.0 111.126 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.432 HD12 ' CD2' ' A' ' 80' ' ' PHE . 4.6 mp -131.66 124.43 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.181 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.16 -135.14 3.26 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.416 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -108.54 -26.35 10.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.826 0.346 . . . . 0.0 111.026 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.24 139.15 43.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -70.19 -30.0 67.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.8 m -69.97 -25.73 63.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 90.4 m -55.78 162.69 1.66 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 57' ' ' THR . 0.6 OUTLIER -71.06 -57.06 4.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.967 0.413 . . . . 0.0 110.847 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.14 116.31 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.973 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 10.5 pt -93.77 128.08 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.178 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 mt -90.68 164.71 14.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.751 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.3 m -103.25 31.37 4.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.59 133.89 30.28 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.547 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.24 -13.72 41.12 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.417 2.078 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -134.74 38.3 3.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 111.091 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.427 HD12 ' CE1' ' A' ' 77' ' ' HIS . 8.3 tp -81.62 121.07 34.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.983 0.42 . . . . 0.0 111.205 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.0 t -56.33 134.41 53.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.365 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.0 m -61.8 -44.03 97.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.797 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.458 ' O ' ' C ' ' A' ' 77' ' ' HIS . 11.9 m-85 -102.8 13.83 33.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.208 0.528 . . . . 0.0 111.385 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -18.67 -70.15 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.603 -1.18 . . . . 0.0 112.916 -179.329 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -145.32 162.82 36.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.13 0.49 . . . . 0.0 111.843 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -134.48 133.97 40.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.446 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.432 ' CD2' HD12 ' A' ' 58' ' ' ILE . 54.7 m-85 -119.37 128.0 53.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.849 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.466 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 12.8 m-70 -94.95 116.48 28.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.812 0.339 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -106.4 109.44 21.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.797 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.46 140.15 53.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.072 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -103.36 120.88 41.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.1 mtt -131.44 127.68 37.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -107.07 136.9 46.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.56 139.03 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.028 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 71.14 -60.62 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.083 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -171.82 -41.32 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.834 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -74.8 -177.12 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.651 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -129.7 128.0 41.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.034 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -114.76 143.48 45.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -114.04 120.77 41.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.06 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.5 mt -106.29 136.0 46.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.652 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.1 mp -123.28 141.08 44.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.887 0.375 . . . . 0.0 111.259 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -117.68 142.81 46.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.775 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.4 ' HB ' ' HB3' ' A' ' 117' ' ' TYR . 11.5 t -110.13 133.41 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.406 HD11 ' CD2' ' A' ' 81' ' ' HIS . 5.0 mt -128.14 126.94 67.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.016 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -84.95 118.84 24.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -144.71 37.78 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.9 179.87 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -109.96 -31.14 7.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.967 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -92.32 -48.77 6.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.09 146.42 4.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.593 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 67.6 m -132.02 133.15 44.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.888 0.375 . . . . 0.0 110.805 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -109.41 130.69 55.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.2 tp -119.58 137.34 53.78 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 CA-C-O 121.447 0.641 . . . . 0.0 111.349 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 61.13 28.81 18.44 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.8 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.65 12.71 74.24 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.743 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -134.12 152.02 51.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.803 0.335 . . . . 0.0 110.805 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -65.22 142.96 58.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.52 130.76 40.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 28.8 m -117.39 -39.96 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.049 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -101.23 154.33 18.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.49 -29.58 22.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -104.21 70.36 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.042 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.4 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 4.7 t80 -84.04 139.09 32.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.755 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 8.6 tp -98.6 118.65 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-O 121.005 0.431 . . . . 0.0 111.382 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.4 tt -103.01 139.46 38.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -126.64 178.07 6.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.859 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.428 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 6.8 p-10 -58.0 137.66 56.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.947 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 76.14 39.81 31.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -104.8 137.26 42.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.349 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -106.23 118.89 37.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.418 HG22 ' CZ ' ' A' ' 127' ' ' PHE . 1.5 mp -114.98 135.36 55.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 39.6 t -121.07 123.9 71.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.268 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.418 ' CZ ' HG22 ' A' ' 125' ' ' ILE . 5.5 m-85 -109.76 147.84 32.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.037 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.02 -64.66 0.71 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.52 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? 171.99 -42.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.814 0.34 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 59.5 p -105.92 -33.49 7.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 22.8 m -58.2 108.53 0.62 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 63.9 p -124.02 141.3 52.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -141.98 156.04 45.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 7.7 tt -126.1 115.07 19.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.737 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -92.08 141.78 28.23 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.946 0.879 . . . . 0.0 111.788 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.17 154.76 34.1 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 113.91 -1.495 . . . . 0.0 110.741 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.506 ' CD1' ' N ' ' A' ' 137' ' ' TYR . 0.5 OUTLIER -86.0 139.61 31.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.697 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -91.55 -30.23 16.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.081 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 72.6 m -66.26 -31.32 72.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.12 118.7 36.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.3 m -129.21 -54.94 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 5.9 m -82.86 -174.81 5.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 9.0 t -169.1 -45.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -177.96 -36.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.154 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.417 HD11 HG21 ' A' ' 145' ' ' ILE . 17.0 mm -98.54 25.27 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.28 0 CA-C-O 121.622 0.725 . . . . 0.0 111.556 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.48 109.01 7.62 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.925 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -88.47 75.13 8.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -175.09 133.85 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -147.63 146.17 29.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -163.58 124.26 2.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.73 96.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 21.6 t -91.89 -62.57 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 4.7 p -124.79 134.09 52.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.2 t -105.23 -43.43 5.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -137.79 -176.17 4.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 10.7 m -86.36 177.65 7.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.18 84.66 1.88 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 29.0 t -168.01 173.74 7.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.0 m120 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.84 0.352 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -164.14 128.06 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.097 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.55 155.71 47.8 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -68.76 -175.85 1.04 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.561 2.174 . . . . 0.0 112.247 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -101.16 162.79 12.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -82.76 129.7 35.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 19.9 m -78.66 169.4 18.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 21.8 p . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.85 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.2 tptp . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.787 0.327 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -104.67 158.56 16.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -101.71 115.15 29.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -107.53 172.67 6.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -114.4 92.5 3.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.785 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.8 p -149.88 -54.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -127.1 138.52 53.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.94 146.49 31.44 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.77 144.07 52.82 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.507 2.138 . . . . 0.0 112.272 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -166.14 -43.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.055 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.1 p -150.45 96.29 2.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -128.22 90.55 3.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.665 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.41 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 74.2 m-85 -115.09 -123.28 0.29 Allowed 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.632 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.425 ' N ' HG21 ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.33 129.77 24.02 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.713 0.292 . . . . 0.0 110.268 179.775 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.46 142.68 48.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.958 0.408 . . . . 0.0 111.333 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.71 -47.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.476 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -128.64 155.33 20.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.132 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.415 ' CE1' ' HB1' ' A' ' 138' ' ' ALA . 18.5 m80 -120.54 161.98 20.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.947 0.403 . . . . 0.0 111.163 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.1 mt -127.04 124.12 38.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.625 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.6 t -101.49 121.71 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.085 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.429 ' HA ' ' CD2' ' A' ' 133' ' ' PHE . 0.0 OUTLIER -90.31 128.55 36.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.632 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 mt -107.92 106.63 16.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.519 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 37.9 mm -124.46 141.81 38.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.519 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 60.5 Cg_endo -75.99 72.39 5.26 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.223 1.948 . . . . 0.0 111.978 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 161.76 -26.78 0.26 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.413 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -178.68 122.26 0.09 Allowed 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -79.61 -174.03 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.02 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.18 141.01 3.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.817 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.04 122.96 49.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.4 t -117.96 150.96 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -105.18 131.97 51.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.6 mm -106.37 127.11 61.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.1 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.425 HG21 ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -98.72 167.17 10.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.097 -179.855 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.41 62.45 6.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.518 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.593 ' C ' ' H ' ' A' ' 55' ' ' VAL . 9.3 mtt180 -85.18 5.89 28.13 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.913 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.432 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 2.3 t-20 71.59 -36.98 0.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -178.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.593 ' H ' ' C ' ' A' ' 53' ' ' ARG . 67.5 t -137.48 135.66 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.85 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 80' ' ' PHE . 88.4 m -125.22 130.19 51.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.963 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.9 137.71 41.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.923 0.392 . . . . 0.0 111.148 -179.679 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.8 mp -125.86 125.59 68.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.52 -132.04 2.47 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.431 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.85 -26.28 6.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.666 0.269 . . . . 0.0 111.267 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.85 145.17 2.09 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.947 0.403 . . . . 0.0 111.238 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -26.34 62.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.158 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.3 p -81.26 -26.89 35.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.231 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.1 m -53.26 160.61 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.074 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 57' ' ' THR . 4.3 m-20 -72.62 -58.34 3.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.935 0.397 . . . . 0.0 110.836 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -104.89 132.98 50.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.077 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.2 pt -108.73 106.18 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.188 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 mp -65.44 -177.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.15 39.18 4.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.199 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -111.91 132.03 22.17 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.749 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.08 -14.29 42.91 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.453 2.102 . . . . 0.0 112.634 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -127.24 33.43 4.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 110.995 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.7 tp -82.38 140.17 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.4 m -67.84 131.49 45.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.099 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 82.6 m -63.11 -44.03 96.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.469 ' O ' ' C ' ' A' ' 77' ' ' HIS . 5.5 m-85 -101.46 13.92 33.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.282 0.563 . . . . 0.0 111.368 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.469 ' C ' ' O ' ' A' ' 76' ' ' PHE . 2.7 t60 -15.81 -67.99 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.631 -1.168 . . . . 0.0 112.894 -179.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -152.85 164.04 38.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.091 0.472 . . . . 0.0 111.831 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -132.71 136.87 46.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.285 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 56' ' ' THR . 6.1 m-85 -119.31 130.99 55.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.022 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.432 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 10.0 m-70 -96.23 116.32 28.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.888 0.375 . . . . 0.0 111.226 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.48 109.42 21.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.714 179.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.3 tp -122.18 140.09 52.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.165 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -102.01 134.87 44.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.807 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.4 ttt -128.64 138.64 52.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.032 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -107.09 128.42 54.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -140.0 126.79 23.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.094 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.8 t0 73.58 -58.87 0.58 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.072 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -168.8 -42.58 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.832 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -79.21 179.88 7.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.676 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -130.59 128.0 40.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.075 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -109.79 138.5 46.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.638 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -114.05 127.27 55.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.198 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -109.58 141.64 41.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.512 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.455 ' CD1' ' CE1' ' A' ' 135' ' ' PHE . 4.4 mp -113.19 141.02 30.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.287 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.86 144.08 44.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.71 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 16.4 t -109.71 125.88 66.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.233 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 34.1 mt -130.11 144.39 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.012 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -117.34 138.99 51.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.962 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.3 pttt -161.19 53.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -152.76 -176.44 5.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.35 -30.22 13.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.23 -36.72 73.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.253 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 87.05 150.88 19.19 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.373 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.4 m -131.93 125.84 32.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 110.82 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -110.93 117.2 32.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.2 tp -111.58 137.16 45.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.444 0.64 . . . . 0.0 111.228 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.5 m120 58.53 31.69 21.3 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.787 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.61 13.04 74.42 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.825 -0.702 . . . . 0.0 113.028 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -128.3 147.74 50.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.777 0.322 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -74.92 143.03 43.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.989 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.9 mt -74.61 135.42 42.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 12.3 m -158.11 -46.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -20.09 59.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.22 152.45 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.792 0.33 . . . . 0.0 110.832 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.7 t70 60.66 51.64 4.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.77 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.63 139.18 45.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 8.0 tp -98.5 120.48 47.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.2 tt -103.01 130.24 50.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.096 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.73 178.1 4.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.623 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.446 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 3.3 p-10 -57.03 145.05 31.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 68.19 36.5 85.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.397 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.54 135.35 49.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.767 0.317 . . . . 0.0 110.807 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -107.08 128.14 54.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.413 HG22 ' CE1' ' A' ' 127' ' ' PHE . 2.1 mp -118.86 134.43 62.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.056 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 29.7 t -110.49 124.37 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.17 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.427 ' HB3' ' CE1' ' A' ' 77' ' ' HIS . 48.7 m-85 -109.3 114.37 28.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 96.83 -71.08 0.78 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.593 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.05 -36.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.701 0.286 . . . . 0.0 111.057 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.01 -36.67 5.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.58 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 8.6 m -62.6 108.82 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.888 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 40.0 t -121.58 137.76 54.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.606 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.47 ' CD1' ' N ' ' A' ' 133' ' ' PHE . 1.5 m-85 -135.64 156.0 49.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.975 0.416 . . . . 0.0 111.241 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.3 tt -121.31 140.05 52.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.641 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.455 ' CE1' ' CD1' ' A' ' 95' ' ' ILE . 34.3 t80 -116.49 141.5 48.09 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 122.016 0.912 . . . . 0.0 111.925 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -154.57 148.41 25.55 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 113.761 -1.563 . . . . 0.0 110.831 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.446 ' CE2' ' HB3' ' A' ' 121' ' ' ASN . 7.7 m-85 -76.46 139.8 40.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.022 0.439 . . . . 0.0 110.817 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.415 ' HB1' ' CE1' ' A' ' 36' ' ' HIS . . . -134.14 30.37 3.62 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.973 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.0 p -96.08 154.24 17.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 18.6 m 61.29 152.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 70.1 m 59.06 30.76 20.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.2 m -152.33 96.66 2.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 33.4 p -126.61 33.7 4.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -133.63 104.8 6.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 3.1 mp -102.55 25.09 1.36 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 CA-C-O 121.644 0.735 . . . . 0.0 111.271 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -151.05 159.25 44.65 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.41 31.1 3.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.829 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.94 117.02 33.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.68 151.86 23.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -161.8 139.55 8.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -142.36 93.84 2.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.816 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.4 m -147.78 90.17 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.2 p -111.19 -35.26 5.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.6 89.65 3.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.794 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.84 141.69 28.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.24 178.15 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -110.51 162.27 14.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 52.6 p -113.61 34.11 4.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.979 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.917 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.722 0.296 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 19.7 mt -103.27 139.05 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.079 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -64.51 166.01 12.79 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.57 -167.85 0.32 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.578 2.185 . . . . 0.0 112.305 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -145.43 171.29 14.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -79.17 169.13 18.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 50.3 m -93.62 158.6 15.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.5 p . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.916 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.744 0.307 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.14 172.11 7.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.992 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -164.94 -47.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -98.71 31.39 2.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.2 mtt-85 -137.58 179.67 6.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.93 28.73 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.0 t30 59.16 109.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -65.5 131.25 94.83 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.78 158.93 18.84 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.443 2.096 . . . . 0.0 112.261 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 t -146.18 31.11 1.02 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -170.93 85.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.7 179.89 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.957 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -101.11 -117.21 0.17 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.563 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.415 ' N ' HG21 ' A' ' 51' ' ' THR . 1.0 OUTLIER -140.26 141.15 35.85 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.772 0.32 . . . . 0.0 110.512 179.587 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 54.1 t -60.09 145.12 47.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.407 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -146.93 -46.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.494 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -157.65 174.69 35.06 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.14 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.412 ' CD2' ' O ' ' A' ' 48' ' ' VAL . 27.3 m80 -139.35 165.28 27.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.989 0.424 . . . . 0.0 111.139 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mt -127.34 110.63 13.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.566 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.02 121.4 46.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 111.137 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -90.47 129.75 36.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.839 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 mp -98.07 106.36 18.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.91 0.386 . . . . 0.0 110.625 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.514 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 6.2 mt -124.65 140.37 35.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.66 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.514 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 55.8 Cg_endo -73.25 73.95 3.16 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.073 1.849 . . . . 0.0 111.947 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 159.69 -24.19 0.3 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.492 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -177.0 154.32 1.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.78 0.324 . . . . 0.0 110.813 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -109.85 157.06 19.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -133.31 135.98 45.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.782 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -113.11 135.07 54.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.087 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.412 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 25.9 t -118.94 149.62 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -100.84 132.49 46.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.033 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 33.2 mm -116.09 115.11 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.415 HG21 ' N ' ' A' ' 32' ' ' THR . 0.5 OUTLIER -102.57 168.09 9.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.5 179.731 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -76.96 62.67 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.983 0.421 . . . . 0.0 110.44 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.579 ' C ' ' H ' ' A' ' 55' ' ' VAL . 7.3 ttt85 -84.0 1.66 42.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.877 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.437 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 1.4 m-20 71.31 -38.19 0.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.579 ' H ' ' C ' ' A' ' 53' ' ' ARG . 66.6 t -137.49 134.44 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.18 179.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 80' ' ' PHE . 48.3 m -125.46 119.96 29.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.905 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.401 ' HB ' ' HA ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -103.84 132.76 49.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.956 0.408 . . . . 0.0 111.14 -179.524 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.419 HD13 ' CD2' ' A' ' 80' ' ' PHE . 5.2 mp -115.6 119.75 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.6 -126.51 1.27 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.559 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.403 ' HB2' HG22 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -124.46 -28.96 3.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.633 0.254 . . . . 0.0 111.398 -179.779 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.9 137.9 6.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.915 0.388 . . . . 0.0 111.363 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -30.08 71.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 76.7 p -74.99 -22.9 58.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.233 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.401 ' HA ' ' HB ' ' A' ' 57' ' ' THR . 98.1 m -54.43 159.54 2.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.778 0.323 . . . . 0.0 111.089 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -79.99 -49.95 11.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.961 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.0 t -125.04 106.81 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.435 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.9 pt -108.91 129.01 64.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.734 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.444 ' O ' ' CB ' ' A' ' 69' ' ' SER . 3.3 pp -175.53 -163.41 0.12 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.243 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 68' ' ' LEU . 7.4 t 85.59 -68.52 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.087 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 176.24 167.91 0.41 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.07 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -63.93 -13.75 39.15 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.842 2.361 . . . . 0.0 112.637 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -98.67 24.82 7.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.784 0.326 . . . . 0.0 110.829 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.404 ' CD1' ' CB ' ' A' ' 69' ' ' SER . 2.2 tp -92.66 139.5 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.408 ' HB2' ' CG ' ' A' ' 77' ' ' HIS . 0.6 OUTLIER -53.36 131.18 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.306 -179.669 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.6 -44.03 79.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.618 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.462 ' O ' ' C ' ' A' ' 77' ' ' HIS . 64.2 m-85 -102.84 13.75 33.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.286 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.462 ' C ' ' O ' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -17.17 -70.88 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.556 -1.202 . . . . 0.0 112.705 -179.579 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.434 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . . . -152.01 164.02 38.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.98 0.419 . . . . 0.0 111.741 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -132.84 133.12 42.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.624 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 56' ' ' THR . 28.9 m-85 -119.44 122.76 42.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.615 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.437 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 6.9 m-70 -94.83 116.38 28.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.937 0.398 . . . . 0.0 111.365 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.7 tp -106.61 109.65 21.63 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.644 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.38 140.18 52.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -108.29 126.23 52.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.723 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.19 135.38 43.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.975 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -107.03 135.95 47.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.7 t -140.04 122.47 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.5 t0 74.03 -58.87 0.57 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.079 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -173.94 -40.83 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.777 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -92.8 108.29 19.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.715 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -82.95 140.22 32.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.009 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -114.42 154.27 28.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.819 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -108.52 120.09 41.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.81 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 mp -108.08 134.47 50.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.766 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.9 mp -119.33 137.97 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.225 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.93 144.09 43.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.799 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.4 t -105.68 133.95 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.291 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.414 HD11 ' CD2' ' A' ' 81' ' ' HIS . 36.0 mt -130.04 120.95 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.02 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.6 127.95 55.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.945 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -158.64 55.86 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -143.49 177.69 8.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.68 -24.42 10.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.54 -28.8 22.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.443 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 106.26 129.92 6.44 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.515 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 88.5 m -132.06 124.72 29.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.853 0.359 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -120.96 114.94 22.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.9 tp -117.27 137.38 51.38 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-O 121.458 0.646 . . . . 0.0 111.439 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 61.81 26.89 16.37 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.64 12.91 74.41 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.893 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -133.98 152.08 51.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.792 0.33 . . . . 0.0 110.784 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.45 133.32 42.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.5 tt -75.08 124.33 26.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 11.1 p -121.33 -44.76 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.29 148.8 22.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -87.48 166.52 14.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.991 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 25.8 t0 66.43 59.27 0.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.029 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.03 139.05 32.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.695 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.416 ' O ' ' CG2' ' A' ' 118' ' ' ILE . 8.4 tp -98.57 114.59 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-O 121.09 0.472 . . . . 0.0 111.312 -179.653 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 10.0 tt -103.12 136.48 42.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.13 178.14 7.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 22.0 p-10 -54.51 148.09 12.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.084 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 65.49 39.21 95.52 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.408 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -108.14 125.58 51.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 79.8 mtt-85 -88.68 117.42 27.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.8 mt -114.83 134.91 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 131' ' ' CYS . 34.3 t -124.0 133.05 70.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.372 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 78' ' ' ALA . 10.1 m-85 -122.83 135.62 54.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.822 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 84.49 -69.11 3.39 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.301 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 168.95 -33.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.747 0.308 . . . . 0.0 111.092 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.49 -31.76 8.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.431 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 126' ' ' VAL . 11.0 m -57.86 107.64 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.03 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 37.6 m -124.2 116.53 22.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -142.16 156.52 45.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.983 0.421 . . . . 0.0 111.225 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 6.5 tt -116.96 139.28 50.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.702 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -101.42 141.58 34.08 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.982 0.896 . . . . 0.0 111.902 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.34 146.42 23.66 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 113.873 -1.512 . . . . 0.0 110.844 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 121' ' ' ASN . 0.8 OUTLIER -76.56 139.59 40.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.377 . . . . 0.0 110.743 179.715 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -137.01 164.36 28.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.118 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.05 -45.39 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 23.3 t -105.08 -174.01 2.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 65.9 m -99.6 28.14 4.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 58.6 m 57.37 31.85 20.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.007 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 3.0 t -160.13 119.97 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -123.71 -64.55 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.485 ' CG2' ' H ' ' A' ' 146' ' ' GLU . 0.8 OUTLIER -111.21 -143.14 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.437 -1.116 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.485 ' H ' ' CG2' ' A' ' 145' ' ' ILE . 0.8 OUTLIER 61.02 113.48 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.939 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.09 -178.3 3.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -79.33 90.72 4.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -111.68 -175.06 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -88.49 83.98 6.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -95.67 93.34 7.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 21.5 t -136.39 121.98 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 20.5 m -82.32 106.47 14.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.11 119.44 24.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -129.8 152.82 48.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 79.8 p -70.93 163.76 26.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -155.77 30.6 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 60.0 p -73.14 74.73 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.919 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 m120 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.849 0.357 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 3.3 mt 63.12 157.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -114.35 153.83 46.47 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.64 -168.21 0.3 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.686 2.258 . . . . 0.0 112.293 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -132.26 87.08 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 60.33 -177.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 3.5 p -159.65 124.03 3.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.871 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.85 0.357 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.46 30.08 7.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -136.23 85.55 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.53 113.35 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -157.52 150.12 22.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 59.6 p -157.7 113.66 2.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -172.76 77.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -130.65 90.93 39.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -57.77 142.08 95.95 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.614 2.209 . . . . 0.0 112.271 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.1 p -143.88 45.56 1.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -60.18 171.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.88 160.26 22.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.4 ' HB2' HG22 ' A' ' 51' ' ' THR . 31.1 m-85 -92.95 -110.68 0.1 Allowed 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.31 129.45 23.63 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.786 0.327 . . . . 0.0 110.504 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -74.39 114.97 13.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.272 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -124.6 -46.44 1.88 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.302 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -123.91 169.77 16.07 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.887 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.409 ' ND1' ' CB ' ' A' ' 138' ' ' ALA . 17.8 m80 -131.08 166.06 21.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.141 0.496 . . . . 0.0 111.374 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.66 116.41 20.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.527 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.6 t -95.94 121.8 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 111.206 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -90.13 116.05 27.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.76 106.83 18.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.806 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.52 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 35.6 mt -124.13 140.84 35.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.98 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.52 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 60.3 Cg_endo -75.07 89.25 1.18 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.24 1.96 . . . . 0.0 111.872 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.23 21.26 5.95 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.262 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.9 tttp 175.21 163.03 0.26 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.736 0.303 . . . . 0.0 110.57 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -145.98 150.0 35.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -143.33 137.06 28.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.99 123.09 49.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 19.7 t -111.6 139.9 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.223 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -82.0 134.22 35.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 28.0 mm -112.03 130.88 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.333 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.4 HG22 ' HB2' ' A' ' 31' ' ' TYR . 0.6 OUTLIER -108.96 167.96 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.605 179.785 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -67.27 -98.09 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.502 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.606 ' C ' ' H ' ' A' ' 55' ' ' VAL . 10.2 ttt85 73.73 -1.58 3.02 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.9 m120 70.28 -33.0 0.25 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.738 0.304 . . . . 0.0 110.185 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.606 ' H ' ' C ' ' A' ' 53' ' ' ARG . 67.6 t -135.95 145.18 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 80' ' ' PHE . 31.5 m -125.42 132.73 52.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.238 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.404 ' HB ' ' HA ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -107.38 129.76 54.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.858 0.361 . . . . 0.0 110.708 179.822 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.9 mt -123.79 133.96 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.287 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 162.49 -119.08 0.86 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.542 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.36 -33.07 2.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.717 0.294 . . . . 0.0 111.28 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.78 133.46 17.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.266 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -63.73 -31.01 72.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.1 p -69.91 -23.99 63.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.114 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.404 ' HA ' ' HB ' ' A' ' 57' ' ' THR . 90.6 m -57.64 155.95 9.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.411 ' HB3' HG21 ' A' ' 56' ' ' THR . 8.2 t0 -66.85 -51.04 60.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.96 0.41 . . . . 0.0 110.853 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.66 111.51 32.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.092 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.7 mp -94.44 127.8 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.2 mp -83.2 -176.71 6.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.9 m -123.26 28.62 7.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.354 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.421 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 2.4 tp10 -102.62 132.73 21.0 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.591 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.04 -13.72 41.13 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.643 2.229 . . . . 0.0 112.914 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -123.62 38.62 4.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.718 0.294 . . . . 0.0 111.23 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.421 ' HB ' ' HB3' ' A' ' 70' ' ' GLU . 5.6 tp -91.18 134.24 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.172 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.1 t -67.51 131.81 46.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.987 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 61.4 m -59.52 -41.43 89.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.813 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.477 ' O ' ' C ' ' A' ' 77' ' ' HIS . 0.6 OUTLIER -104.01 13.76 31.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.182 0.515 . . . . 0.0 111.408 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.477 ' C ' ' O ' ' A' ' 76' ' ' PHE . 2.8 t60 -15.17 -67.8 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.655 -1.157 . . . . 0.0 112.891 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.86 164.02 39.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 111.506 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 56' ' ' THR . 3.7 pm0 -132.91 134.37 44.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.909 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 56' ' ' THR . 5.6 m-85 -119.29 131.2 55.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.482 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.411 ' CE1' HG21 ' A' ' 55' ' ' VAL . 9.6 m-70 -94.68 116.12 28.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.968 0.413 . . . . 0.0 111.425 -179.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.86 109.89 21.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.701 179.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 mt -121.47 140.08 52.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.09 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -109.29 127.85 54.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.784 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.6 ttm -120.77 143.09 49.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -101.26 117.75 35.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.3 t -140.08 131.12 31.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.25 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.19 49.16 11.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 55.6 26.46 9.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.093 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -132.29 -175.74 3.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.743 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -130.72 127.89 39.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.082 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.17 128.01 55.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.722 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -109.92 120.01 41.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.038 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.1 tp -123.69 135.26 53.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.537 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.452 ' CD1' ' CE1' ' A' ' 135' ' ' PHE . 3.9 mp -113.82 141.06 31.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 0.0 111.487 -179.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.403 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -114.49 144.15 43.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.51 179.781 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.441 ' CG2' ' CE2' ' A' ' 80' ' ' PHE . 11.8 t -115.36 122.94 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 111.32 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.7 mp -130.05 143.35 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.984 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -117.05 139.01 51.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.51 21.31 16.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.3 m 57.28 73.9 0.44 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.823 0.344 . . . . 0.0 111.007 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -162.1 122.38 2.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 67.88 10.69 7.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.799 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 53.01 99.93 0.01 OUTLIER Glycine 0 C--N 1.333 0.368 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.864 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 76.6 m -103.97 122.93 46.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.313 . . . . 0.0 110.668 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -110.05 137.28 48.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.971 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.1 tp -123.12 137.29 57.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.454 0.645 . . . . 0.0 111.241 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 63.21 29.67 15.97 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.764 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.66 10.75 72.04 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.861 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -134.06 152.04 51.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.839 0.352 . . . . 0.0 110.839 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 41.2 mtm-85 -60.99 139.24 58.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 tt -89.86 121.56 32.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.963 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 13.7 p -117.0 -38.51 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.106 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -59.53 170.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.82 -32.05 8.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -122.03 80.11 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.077 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.404 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 2.9 t80 -84.07 139.31 32.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.714 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 8.2 tp -98.5 119.39 46.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.065 0.459 . . . . 0.0 111.429 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.3 tp -103.08 135.19 45.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -133.04 178.14 7.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.469 ' HB2' ' CE2' ' A' ' 137' ' ' TYR . 1.4 t30 -56.59 137.14 54.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.034 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 74.71 45.37 22.49 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.429 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -116.36 127.05 54.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 111.022 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 20.3 mtt-85 -87.73 122.67 31.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.416 ' CG2' ' CZ ' ' A' ' 127' ' ' PHE . 3.2 mp -119.49 121.94 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.4 t -108.08 123.95 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.064 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.428 ' HB3' ' CE1' ' A' ' 77' ' ' HIS . 97.1 m-85 -114.08 122.77 47.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.793 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 92.23 -69.78 1.79 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.391 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt 173.62 -34.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.739 0.304 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 93.3 p -111.58 -36.78 5.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.283 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 8.9 m -64.46 108.06 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 111.054 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.5 t -124.11 121.0 33.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -123.4 156.04 36.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.98 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 4.1 tp -117.28 140.02 50.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.452 ' CE1' ' CD1' ' A' ' 95' ' ' ILE . 21.2 t80 -106.32 141.6 37.38 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-O 121.838 0.827 . . . . 0.0 111.667 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.48 157.32 38.22 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 113.979 -1.464 . . . . 0.0 111.192 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 121' ' ' ASN . 4.3 m-85 -86.09 140.02 30.61 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.96 0.409 . . . . 0.0 110.627 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.409 ' CB ' ' ND1' ' A' ' 36' ' ' HIS . . . -120.04 73.03 0.96 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.068 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.69 158.39 10.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 35.8 p -148.25 89.08 1.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.955 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.1 t -101.07 -66.5 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 49.7 m -162.98 106.39 1.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 1.1 p -151.02 120.26 6.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 66.82 26.31 9.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.026 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.432 HD12 HG23 ' A' ' 145' ' ' ILE . 22.4 mt -123.94 24.98 3.55 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 CA-C-O 121.707 0.765 . . . . 0.0 111.218 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -112.28 145.84 39.26 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 114.607 -1.179 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -102.21 139.67 37.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.86 95.24 9.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -86.79 124.96 33.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 60.4 175.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.26 -68.68 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 10.9 p -179.0 125.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.3 m -118.23 99.29 6.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 17.9 m -129.75 97.1 4.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -140.09 110.58 6.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.26 -43.16 14.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -118.17 144.0 46.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.1 p -77.17 -176.89 4.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 6.3 t80 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.9 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.82 0.343 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 8.3 tp -132.79 141.32 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -55.51 148.71 32.64 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.03 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.51 -168.1 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.586 2.191 . . . . 0.0 112.352 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.04 169.09 9.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -85.03 160.65 19.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 5.9 p -123.78 137.5 54.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 26.4 m . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.144 -0.931 . . . . 0.0 110.871 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.852 0.358 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.8 mtt180 -102.54 -47.18 4.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.789 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 61.42 76.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -95.33 -61.87 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -167.44 34.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.29 118.4 28.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -167.37 61.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.513 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 13.4 tptt -69.73 -51.76 15.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.293 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 55.9 Cg_endo -69.99 158.95 54.97 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.263 1.975 . . . . 0.0 112.301 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 p -139.62 105.87 5.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.6 p -116.07 32.71 5.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -138.28 107.44 6.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -85.8 -111.5 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.692 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.23 128.72 22.77 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.742 0.306 . . . . 0.0 110.382 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -64.95 114.94 4.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.04 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.99 -40.21 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.782 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -140.86 170.02 24.68 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.427 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.421 ' CE1' ' HB1' ' A' ' 138' ' ' ALA . 31.2 m80 -131.84 164.33 26.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.86 0.362 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -123.78 134.77 53.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.662 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 133' ' ' PHE . 29.1 t -111.33 121.81 64.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -89.51 127.49 35.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.014 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 mp -93.42 106.54 18.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.907 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.417 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 39.4 mt -124.31 139.48 32.96 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.417 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 88.1 Cg_exo -47.31 92.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.419 2.079 . . . . 0.0 112.176 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.47 -111.69 3.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.075 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -57.34 143.04 41.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.757 0.313 . . . . 0.0 110.843 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -108.18 165.52 11.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -133.88 139.15 46.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -113.04 133.24 55.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.5 t -123.76 151.04 28.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.167 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -105.03 124.52 49.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.793 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.7 tt -116.12 132.17 66.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.013 0.435 . . . . 0.0 111.519 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.8 167.99 10.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.421 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.92 -87.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.282 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.564 ' C ' ' H ' ' A' ' 55' ' ' VAL . 12.0 ttt-85 72.88 -2.09 2.81 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 179.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.42 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 0.9 OUTLIER 71.23 -38.43 0.42 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.11 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.564 ' H ' ' C ' ' A' ' 53' ' ' ARG . 70.7 t -137.15 141.76 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.074 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 80' ' ' PHE . 83.2 m -125.3 128.37 48.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.087 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.04 141.87 35.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.985 0.421 . . . . 0.0 111.274 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.407 HG21 HD11 ' A' ' 58' ' ' ILE . 6.1 mm -117.58 126.07 74.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.088 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 156.94 -160.32 30.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.692 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.87 -13.12 21.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.533 0.206 . . . . 0.0 111.193 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.84 149.98 2.37 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.839 0.352 . . . . 0.0 111.13 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -71.31 -31.35 67.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.786 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.33 -18.1 43.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 3.3 m -54.07 155.22 3.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.77 0.319 . . . . 0.0 111.136 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.96 -57.93 3.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.729 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 t -110.58 127.57 67.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.156 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.5 pt -95.12 105.01 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.011 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.01 -177.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.996 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 p -123.37 30.24 6.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.03 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.63 123.38 38.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.814 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -55.98 -18.99 24.29 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.498 2.132 . . . . 0.0 112.78 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -126.16 39.57 3.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.771 0.319 . . . . 0.0 111.187 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.418 HD13 ' CE1' ' A' ' 77' ' ' HIS . 3.9 tp -77.55 146.63 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.258 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.42 ' HB3' ' CG ' ' A' ' 77' ' ' HIS . 32.9 t -75.23 130.93 39.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.7 m -61.45 -43.88 98.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 77' ' ' HIS . 98.3 m-85 -99.83 14.05 31.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.277 0.56 . . . . 0.0 111.575 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -20.25 -56.61 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.94 -179.288 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -152.68 163.95 38.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.102 0.477 . . . . 0.0 111.909 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -141.64 122.06 14.06 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.51 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 56' ' ' THR . 74.4 m-85 -119.32 131.21 55.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.141 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -94.73 116.23 28.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.754 0.311 . . . . 0.0 110.517 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.42 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 0.9 OUTLIER -106.59 109.54 21.48 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.137 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.11 140.05 53.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -106.33 135.63 47.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.75 120.15 9.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -83.94 133.62 34.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.2 t -140.01 124.63 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.019 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 74.48 -57.74 0.6 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.099 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.86 -41.78 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.813 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -83.38 155.41 23.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.712 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -85.71 127.92 34.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.997 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.72 115.13 29.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.668 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -113.97 125.25 53.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.957 0.408 . . . . 0.0 111.152 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.16 142.61 44.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.467 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.4 mp -124.66 141.23 45.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.847 0.356 . . . . 0.0 111.393 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -114.01 144.03 43.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.491 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 117' ' ' TYR . 43.9 t -109.47 122.48 64.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.011 0.434 . . . . 0.0 111.518 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.9 mp -130.26 120.88 50.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.469 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -111.83 132.01 54.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.136 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.36 60.01 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.909 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.73 -175.5 2.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -112.19 -34.54 5.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -61.18 -71.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.255 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 161.03 127.29 0.88 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.499 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 61.0 m -131.98 125.96 32.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.816 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -120.98 129.86 53.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.3 tp -118.92 137.27 53.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 121.441 0.639 . . . . 0.0 111.259 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 61.21 27.57 17.29 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.81 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.7 9.8 70.5 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.843 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -134.07 152.0 51.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -70.4 142.64 52.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.94 137.15 45.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 12.0 p -111.99 -31.6 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.055 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -122.26 174.69 6.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.773 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.91 32.48 5.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -148.05 56.23 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.053 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.496 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 2.0 t80 -84.06 139.61 32.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 8.1 tp -97.99 121.39 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.063 0.459 . . . . 0.0 111.352 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.7 tt -102.97 135.83 43.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.082 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.54 177.0 7.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.707 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.428 ' HB2' ' CE2' ' A' ' 137' ' ' TYR . 33.3 t-20 -54.59 136.61 44.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 76.11 47.89 10.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -114.72 128.11 56.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.819 0.342 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -103.99 131.3 51.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.407 HG21 ' CE2' ' A' ' 127' ' ' PHE . 13.3 tt -131.06 138.05 54.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 34.6 t -114.53 123.91 70.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.215 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.419 ' HB3' ' CE1' ' A' ' 77' ' ' HIS . 61.0 m-85 -106.77 141.83 37.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.836 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.87 -64.21 1.21 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.483 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 16.1 pttp 175.8 -49.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.74 0.305 . . . . 0.0 111.235 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 84.9 p -100.32 -35.38 9.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.442 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 30.6 m -57.08 108.02 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 111.061 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.8 m -124.02 134.64 53.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.776 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.402 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 20.4 m-85 -140.39 156.1 46.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.975 0.417 . . . . 0.0 111.141 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.6 tt -126.36 140.1 52.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.794 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -106.35 141.88 36.94 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 122.018 0.914 . . . . 0.0 111.854 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -154.15 134.73 13.54 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 113.914 -1.494 . . . . 0.0 110.675 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.508 ' CD1' ' N ' ' A' ' 137' ' ' TYR . 0.5 OUTLIER -68.31 139.59 55.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.964 0.411 . . . . 0.0 110.75 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.421 ' HB1' ' CE1' ' A' ' 36' ' ' HIS . . . -90.63 97.91 11.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.062 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 34.9 t -151.21 -46.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.13 130.98 17.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 83.4 p -146.38 -48.45 0.2 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.4 m -75.32 -176.3 3.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 5.7 m 60.38 104.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.53 45.44 1.01 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.9 mp -144.7 118.36 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.216 0 CA-C-O 121.633 0.73 . . . . 0.0 109.589 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -94.18 -70.8 0.69 Allowed 'General case' 0 C--N 1.296 -1.754 0 CA-C-N 114.492 -1.231 . . . . 0.0 110.952 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -79.63 160.32 26.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.816 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.71 108.5 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.22 128.33 39.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.61 145.99 41.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -87.89 149.29 24.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 28.7 m -130.5 111.93 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 91.7 p -143.32 -51.68 0.35 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.35 60.31 1.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -157.44 171.99 19.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.846 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 12.3 t 60.82 99.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -62.32 -179.94 0.27 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.29 102.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.854 179.941 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.832 0.349 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 10.2 pt -130.65 159.44 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.088 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.26 138.93 86.96 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.53 95.43 1.0 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.476 2.118 . . . . 0.0 112.333 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.31 -172.86 3.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.07 151.11 20.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 6.0 p -101.34 164.4 11.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.8 mttm . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.784 0.326 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -134.33 -61.29 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.72 -43.26 2.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -152.9 -176.4 5.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.46 -48.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.1 m -75.33 -63.38 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.831 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -61.89 169.08 2.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.55 107.98 22.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.793 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.25 141.04 55.42 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.385 2.057 . . . . 0.0 112.229 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.0 t -99.11 107.93 20.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.7 p -98.35 29.27 3.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -149.1 128.14 12.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.43 ' N ' HG21 ' A' ' 51' ' ' THR . 3.2 m-85 -58.0 -97.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.422 ' N ' HG21 ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.38 128.86 22.73 Favored 'General case' 0 C--O 1.231 0.13 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.592 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.44 119.16 8.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.892 0.377 . . . . 0.0 111.08 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.44 -38.97 3.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.661 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -155.15 -169.3 19.52 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.296 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -146.38 162.1 38.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.971 0.415 . . . . 0.0 110.758 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 mt -127.23 107.87 10.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.748 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.3 t -98.83 121.89 49.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -89.75 120.83 31.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 mp -86.62 106.78 17.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.52 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 2.8 mp -124.12 140.18 34.27 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.831 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.52 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 58.8 Cg_endo -74.5 89.16 1.11 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.151 1.9 . . . . 0.0 112.123 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.81 1.89 6.83 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.737 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.3 tttp 177.93 167.98 0.73 Allowed 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.788 0.327 . . . . 0.0 110.741 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -138.45 158.38 44.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.828 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.92 122.66 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.072 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -113.0 125.24 54.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.6 t -124.04 139.88 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.21 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -86.03 130.7 34.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.712 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.9 tt -116.12 132.06 66.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.042 0.449 . . . . 0.0 111.519 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.43 HG21 ' N ' ' A' ' 31' ' ' TYR . 0.5 OUTLIER -102.1 168.14 9.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.416 179.781 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.09 -91.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.591 ' C ' ' H ' ' A' ' 55' ' ' VAL . 10.6 ttt180 72.8 -2.9 2.54 Favored 'General case' 0 N--CA 1.462 0.156 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.7 m120 70.4 -33.2 0.26 Allowed 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.591 ' H ' ' C ' ' A' ' 53' ' ' ARG . 64.8 t -136.17 138.59 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-O 121.041 0.448 . . . . 0.0 110.997 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 80' ' ' PHE . 53.3 m -125.33 124.46 41.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.181 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.402 ' HB ' ' HA ' ' A' ' 64' ' ' CYS . 0.1 OUTLIER -103.82 125.21 50.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 110.793 -179.866 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.453 ' CG2' ' CE2' ' A' ' 127' ' ' PHE . 3.4 mp -107.84 125.02 64.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.18 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.63 -142.62 7.74 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.48 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.409 ' HB2' ' CG2' ' A' ' 73' ' ' ILE . 3.3 ttt85 -112.07 -23.74 10.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.717 0.294 . . . . 0.0 111.146 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.6 t -47.31 142.53 3.94 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.196 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.91 -22.43 66.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.7 m -86.22 -17.71 34.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.456 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.402 ' HA ' ' HB ' ' A' ' 57' ' ' THR . 2.1 m -53.98 134.87 43.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.695 0.283 . . . . 0.0 111.117 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.417 ' HB3' ' CG2' ' A' ' 56' ' ' THR . 8.0 t70 -61.51 -44.8 96.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.904 0.383 . . . . 0.0 110.627 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.7 t -124.79 113.6 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.007 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.5 pt -96.01 130.04 45.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.221 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.13 -177.2 5.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.81 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.2 m -120.64 59.26 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.21 121.31 22.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.782 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.46 -21.86 25.42 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.456 2.104 . . . . 0.0 112.611 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -123.01 35.02 4.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.069 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.409 ' CG2' ' HB2' ' A' ' 60' ' ' ARG . 2.4 tp -76.72 132.14 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.254 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.3 m -62.47 131.66 49.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.285 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.9 m -67.74 -43.93 78.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.905 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.462 ' O ' ' C ' ' A' ' 77' ' ' HIS . 3.5 m-85 -96.42 13.8 26.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.221 0.534 . . . . 0.0 111.334 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.462 ' C ' ' O ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -17.25 -73.71 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.572 -1.195 . . . . 0.0 112.952 -179.358 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -159.79 164.06 34.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.009 0.433 . . . . 0.0 111.917 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -126.6 131.4 51.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.554 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.468 ' O ' ' N ' ' A' ' 56' ' ' THR . 5.0 m-85 -119.32 131.19 55.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.742 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -94.77 116.26 28.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.874 0.369 . . . . 0.0 111.257 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -106.79 109.53 21.46 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.765 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.22 139.53 53.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.18 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -129.08 128.86 44.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.766 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.28 132.43 20.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.982 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -107.07 138.29 43.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.764 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.4 p -140.04 137.79 38.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.208 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 67.93 -67.73 0.18 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.031 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 178.75 39.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.793 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -152.28 131.13 12.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.765 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -82.93 127.98 34.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.2 ttm-85 -115.79 110.94 19.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.625 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -112.77 124.98 53.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.6 mp -131.98 137.24 47.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.712 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.4 mp -118.85 137.7 51.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.272 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -114.58 144.11 43.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.711 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.468 ' CG1' ' CZ ' ' A' ' 80' ' ' PHE . 21.7 t -107.32 135.08 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.451 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.6 mm -127.59 120.89 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.832 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -106.79 138.98 41.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.0 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -171.45 45.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -120.04 -176.31 3.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.97 -30.11 8.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.98 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -58.21 -75.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.224 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.58 128.69 2.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.474 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.0 m -127.6 123.09 34.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 0.0 110.799 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 111' ' ' ARG . 8.0 m-85 -109.25 130.67 55.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.8 tp -123.08 137.27 57.08 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-O 121.484 0.659 . . . . 0.0 111.367 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 60.22 35.5 20.96 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.791 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.75 13.14 74.95 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.83 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -133.82 151.63 51.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.862 0.363 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.417 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -69.16 142.92 54.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mt -70.93 120.3 16.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 11.4 p -122.81 -43.83 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -69.32 175.05 4.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.49 -29.26 8.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.047 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -118.84 76.27 1.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.951 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -84.03 139.14 32.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.405 ' O ' ' CG2' ' A' ' 118' ' ' ILE . 8.5 tp -98.41 116.43 41.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.1 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.466 HD23 ' CD2' ' A' ' 135' ' ' PHE . 3.8 tt -103.03 131.63 49.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.042 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.96 178.05 6.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.782 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 4.4 p-10 -61.37 141.26 57.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.95 51.49 23.69 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.515 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -121.84 127.17 50.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.811 0.338 . . . . 0.0 110.998 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -81.01 128.6 33.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.733 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.411 ' HB ' ' CE1' ' A' ' 133' ' ' PHE . 2.9 mp -127.24 138.01 56.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.2 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 38.0 t -123.35 133.94 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.079 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.453 ' CE2' ' CG2' ' A' ' 58' ' ' ILE . 5.2 m-85 -123.39 138.32 54.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.014 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 78.9 -65.82 3.47 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.483 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.9 pttm 172.42 -35.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.72 0.295 . . . . 0.0 111.036 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.19 -39.14 4.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.55 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 32.0 m -55.96 106.93 0.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.891 0.377 . . . . 0.0 111.197 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.4 m -124.3 128.09 48.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.85 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.411 ' CE1' ' HB ' ' A' ' 125' ' ' ILE . 16.2 p90 -141.98 156.05 45.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.917 0.389 . . . . 0.0 111.169 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 4.3 tp -113.42 140.05 48.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.466 ' CD2' HD23 ' A' ' 119' ' ' LEU . 65.3 t80 -102.13 141.7 34.55 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.972 0.891 . . . . 0.0 111.82 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -154.35 151.75 29.42 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 113.874 -1.512 . . . . 0.0 110.802 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.439 ' CD1' ' N ' ' A' ' 137' ' ' TYR . 0.8 OUTLIER -82.74 139.81 33.4 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.009 0.433 . . . . 0.0 110.877 179.803 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -107.06 129.33 54.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.5 m -147.24 130.29 16.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.22 123.64 47.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 15.1 t -117.8 141.37 48.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.9 m 60.72 157.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 4.3 m -71.16 118.58 14.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.68 -173.03 2.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.959 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.6 mt -103.58 24.94 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.344 0 CA-C-O 121.738 0.78 . . . . 0.0 111.42 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -86.34 179.99 6.78 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 114.581 -1.191 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -63.36 133.61 54.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -89.61 -31.58 17.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.4 t0 61.75 114.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.6 164.24 29.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 5.9 pttt -168.32 169.7 10.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 21.5 t 60.67 87.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.4 m -119.89 92.62 3.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 38.1 p -153.18 135.02 14.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -74.86 -177.84 3.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 39.0 t -116.16 146.83 41.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 60.58 31.63 20.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 29.7 t -141.63 153.9 45.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 2.4 t80 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.864 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.852 0.358 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -127.99 74.66 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.35 148.99 66.4 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.19 -173.78 1.01 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.524 2.149 . . . . 0.0 112.314 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -130.19 135.49 48.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -64.28 87.83 0.05 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.92 91.55 4.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.1 p . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.906 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.467 ' N ' HG21 ' A' ' 51' ' ' THR . 0.5 OUTLIER . . . . . 0 CA--C 1.533 0.301 0 CA-C-O 120.352 0.12 . . . . 0.0 111.049 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.558 ' N ' HG22 ' A' ' 51' ' ' THR . 0.7 OUTLIER -140.32 129.82 24.1 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.747 0.308 . . . . 0.0 110.598 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.0 t -59.67 145.03 46.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.029 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.469 HD11 ' CG ' ' A' ' 93' ' ' ASN . 0.7 OUTLIER -159.14 -58.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -134.25 171.5 22.17 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.788 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.637 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 42.8 m80 -140.6 164.87 29.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.905 0.383 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 1.137 HD11 HD11 ' A' ' 50' ' ' ILE . 2.1 mt -125.78 123.01 37.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.619 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -105.69 121.85 58.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.189 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -89.97 117.27 28.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.789 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -85.35 106.61 16.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.647 HG22 ' HD2' ' A' ' 42' ' ' PRO . 1.7 mt -124.18 141.15 36.53 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.612 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.647 ' HD2' HG22 ' A' ' 41' ' ' ILE . 60.8 Cg_endo -74.55 -2.29 12.22 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.233 1.956 . . . . 0.0 112.743 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -127.74 2.34 6.95 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.676 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.96 -164.53 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.752 0.31 . . . . 0.0 110.55 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -153.73 156.17 37.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.785 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -137.23 130.38 30.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -113.2 127.66 56.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.742 HG11 HG22 ' A' ' 66' ' ' VAL . 22.0 t -114.32 150.9 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.016 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -102.32 131.13 49.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.02 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.137 HD11 HD11 ' A' ' 37' ' ' LEU . 49.0 mm -110.79 123.45 66.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.558 HG22 ' N ' ' A' ' 32' ' ' THR . 0.3 OUTLIER -104.05 168.38 9.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.242 -179.768 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.545 ' HA ' HD12 ' A' ' 82' ' ' LEU . 35.5 m-80 -80.46 60.68 3.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.354 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.565 ' C ' ' H ' ' A' ' 55' ' ' VAL . 4.9 ttt180 -86.41 -0.38 55.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.843 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.429 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 1.5 t30 72.07 -35.16 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -178.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.565 ' H ' ' C ' ' A' ' 53' ' ' ARG . 67.5 t -137.14 134.05 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.555 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.8 HG23 ' CB ' ' A' ' 65' ' ' ASP . 59.6 m -125.21 131.31 53.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.148 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.422 ' N ' ' HB2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.83 138.65 40.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.925 0.393 . . . . 0.0 111.287 -179.578 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.475 HD12 ' N ' ' A' ' 58' ' ' ILE . 4.4 mp -129.42 127.03 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.055 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.11 -141.21 6.66 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.549 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.529 ' HG3' HG22 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -101.7 -29.24 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.832 0.348 . . . . 0.0 111.038 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.69 ' HB2' HG23 ' A' ' 75' ' ' THR . 0.3 OUTLIER -54.26 123.43 12.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 -179.835 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.404 ' HA ' HG21 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -59.7 -27.58 66.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.9 m -69.89 -28.72 65.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.776 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.1 m -55.61 167.71 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.698 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.8 ' CB ' HG23 ' A' ' 56' ' ' THR . 0.5 OUTLIER -70.97 -58.0 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.006 0.432 . . . . 0.0 110.692 179.807 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.786 HG21 ' CD1' ' A' ' 37' ' ' LEU . 25.4 t -112.31 120.54 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.078 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.404 HG21 ' HA ' ' A' ' 62' ' ' ARG . 2.1 pt -102.28 104.95 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.049 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.576 HD12 HD11 ' A' ' 73' ' ' ILE . 87.1 mt -67.65 -177.69 0.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.3 m -118.81 41.2 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.17 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.401 ' CB ' ' HB ' ' A' ' 73' ' ' ILE . 0.6 OUTLIER -104.77 134.02 19.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.604 179.809 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.12 -13.95 41.6 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.488 2.125 . . . . 0.0 112.731 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -133.03 33.55 3.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.672 0.273 . . . . 0.0 111.19 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.576 HD11 HD12 ' A' ' 68' ' ' LEU . 5.2 tp -77.8 124.35 36.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.997 0.427 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.6 m -55.69 133.3 50.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.372 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.69 HG23 ' HB2' ' A' ' 61' ' ' SER . 84.1 m -62.16 -43.72 98.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.716 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.469 ' O ' ' C ' ' A' ' 77' ' ' HIS . 4.5 m-85 -101.6 13.82 33.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.399 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.469 ' C ' ' O ' ' A' ' 76' ' ' PHE . 12.4 t-80 -17.02 -65.02 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.681 -1.145 . . . . 0.0 112.702 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.811 ' HB3' ' CE2' ' A' ' 127' ' ' PHE . . . -155.98 163.98 39.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.138 0.494 . . . . 0.0 111.881 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -126.65 139.34 53.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.264 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.49 ' CE1' HG13 ' A' ' 97' ' ' VAL . 2.4 m-85 -119.46 130.34 55.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.725 0.297 . . . . 0.0 111.025 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.463 ' HB2' ' HB3' ' A' ' 96' ' ' ASN . 11.5 m170 -95.08 116.99 29.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.872 0.368 . . . . 0.0 111.137 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.747 HD22 ' CD1' ' A' ' 95' ' ' ILE . 0.4 OUTLIER -105.39 109.43 21.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.422 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.1 tt -122.24 140.11 52.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.274 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -128.87 120.96 27.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.692 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.5 ttt -129.78 146.79 51.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -107.11 124.76 50.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.7 p -138.01 134.37 44.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 74.61 -58.38 0.58 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -174.74 -40.25 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.776 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -85.9 -176.41 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.738 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -118.47 127.99 54.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -109.03 118.15 36.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.695 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.469 ' CG ' HD11 ' A' ' 34' ' ' LEU . 3.5 m-80 -107.93 143.24 36.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.197 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.65 HD23 HD11 ' A' ' 118' ' ' ILE . 1.6 mp -129.87 144.37 51.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.559 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.747 ' CD1' HD22 ' A' ' 82' ' ' LEU . 10.6 mm -121.01 137.54 54.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.241 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.463 ' HB3' ' HB2' ' A' ' 81' ' ' HIS . 25.3 t30 -120.87 134.8 55.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.711 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.49 HG13 ' CE1' ' A' ' 80' ' ' PHE . 13.4 t -102.2 131.94 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.17 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 31.6 mt -129.67 120.99 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.991 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.5 ' OD2' HD22 ' A' ' 112' ' ' LEU . 97.3 m-20 -109.04 124.45 50.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -16.58 63.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.13 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m 68.47 99.63 0.06 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -168.97 -63.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -85.52 -69.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.254 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 154.29 109.18 0.34 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.464 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 52.3 m -121.8 126.77 49.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.765 0.317 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -118.5 130.09 55.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.001 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 124' ' ' ARG . 3.2 tp -122.16 137.37 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.478 0.656 . . . . 0.0 111.219 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.8 m120 62.25 29.36 17.38 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.79 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.76 13.09 74.98 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.844 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -133.58 152.12 51.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.829 0.347 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -71.07 139.61 50.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' A' ' 117' ' ' TYR . 4.2 tp -87.57 135.85 33.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.446 HG13 ' N ' ' A' ' 114' ' ' LYS . 11.7 p -121.59 -42.55 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.446 ' N ' HG13 ' A' ' 113' ' ' VAL . 2.0 mtpt -76.36 162.8 27.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -106.71 30.38 6.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -160.52 63.36 0.32 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.633 ' HB2' HD11 ' A' ' 112' ' ' LEU . 13.3 t80 -84.11 137.8 33.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.712 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.65 HD11 HD23 ' A' ' 94' ' ' LEU . 8.4 tp -98.66 118.05 44.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-O 120.962 0.41 . . . . 0.0 111.446 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.712 HD21 ' CD2' ' A' ' 135' ' ' PHE . 0.8 OUTLIER -103.17 137.58 41.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.966 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.41 178.06 6.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.722 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.451 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 0.3 OUTLIER -56.11 141.02 42.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.183 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.91 51.37 24.46 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.449 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.57 ' C ' HD12 ' A' ' 134' ' ' LEU . 1.2 m-20 -125.44 121.67 34.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 111.055 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.612 ' HG2' HD13 ' A' ' 134' ' ' LEU . 7.7 mtt85 -81.35 132.46 35.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.719 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.516 HD11 HD11 ' A' ' 119' ' ' LEU . 1.5 mp -127.6 138.05 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.419 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.609 HG22 ' OG ' ' A' ' 132' ' ' SER . 22.0 t -123.88 123.95 68.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.887 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.811 ' CE2' ' HB3' ' A' ' 78' ' ' ALA . 3.1 m-85 -111.91 122.97 49.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.12 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 92.71 -70.19 1.63 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.558 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 175.57 -36.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.768 0.318 . . . . 0.0 111.091 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 84.1 p -108.34 -42.61 4.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.345 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 21.7 m -56.35 107.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.36 . . . . 0.0 111.064 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.609 ' OG ' HG22 ' A' ' 126' ' ' VAL . 0.4 OUTLIER -124.19 128.23 48.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.811 179.821 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.412 ' CE2' ' HB ' ' A' ' 125' ' ' ILE . 13.3 p90 -142.14 155.16 45.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.066 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.612 HD13 ' HG2' ' A' ' 124' ' ' ARG . 11.0 tp -112.08 140.01 47.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.714 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.712 ' CD2' HD21 ' A' ' 119' ' ' LEU . 84.4 t80 -105.29 141.42 36.85 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.872 0.844 . . . . 0.0 111.995 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -154.48 140.73 18.57 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 113.818 -1.537 . . . . 0.0 110.67 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.451 ' CE2' ' HB3' ' A' ' 121' ' ' ASN . 12.8 m-85 -71.89 140.06 49.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.066 0.46 . . . . 0.0 110.615 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.637 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . . . . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.433 ' HB2' ' CG2' ' A' ' 51' ' ' THR . 28.2 m-85 . . . . . 0 CA--C 1.535 0.386 0 N-CA-C 110.582 -0.155 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.24 129.82 24.22 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-O 120.76 0.314 . . . . 0.0 110.47 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.99 140.84 56.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.015 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tp -138.04 -45.78 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.803 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.764 ' O ' HG22 ' A' ' 50' ' ' ILE . . . -159.78 -174.8 30.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.478 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.417 ' CD2' ' HA ' ' A' ' 49' ' ' GLU . 43.1 m80 -143.15 159.84 41.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.957 0.408 . . . . 0.0 110.996 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.588 ' CD1' HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -127.28 108.3 10.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.55 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.532 HG22 ' HG3' ' A' ' 47' ' ' LYS . 24.5 t -99.81 121.82 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.323 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.474 ' OD1' HD11 ' A' ' 68' ' ' LEU . 32.6 m-80 -90.15 131.67 35.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.751 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.471 ' O ' HD13 ' A' ' 41' ' ' ILE . 1.2 mp -97.99 106.89 19.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.471 HD13 ' O ' ' A' ' 40' ' ' LEU . 27.7 mm -123.43 134.54 25.29 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.986 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -51.21 -25.57 17.76 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.52 2.147 . . . . 0.0 112.669 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.467 ' H ' HG22 ' A' ' 41' ' ' ILE . . . -87.04 -27.2 29.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.611 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.3 tttm 176.32 -168.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.798 0.332 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -131.45 164.89 24.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.729 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.93 118.04 6.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.532 ' HG3' HG22 ' A' ' 38' ' ' VAL . 14.6 ttmm -107.94 124.57 50.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.7 t -120.49 137.59 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.417 ' HA ' ' CD2' ' A' ' 36' ' ' HIS . 4.1 tm-20 -82.04 137.67 35.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.705 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.764 HG22 ' O ' ' A' ' 35' ' ' GLY . 2.3 tt -116.0 132.13 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.075 0.464 . . . . 0.0 111.351 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.433 ' CG2' ' HB2' ' A' ' 31' ' ' TYR . 0.5 OUTLIER -106.96 168.07 9.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.853 -179.77 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -74.28 64.78 1.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.516 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.538 ' C ' ' H ' ' A' ' 55' ' ' VAL . 13.8 ttt180 -80.42 -0.18 36.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.946 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.414 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 54.7 t30 71.81 -35.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -178.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.538 ' H ' ' C ' ' A' ' 53' ' ' ARG . 61.5 t -137.25 137.15 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.546 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.489 HG23 ' CG ' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -125.25 120.3 30.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.98 179.576 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.407 ' C ' HD12 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -103.6 128.58 50.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.987 0.422 . . . . 0.0 111.243 -179.303 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.784 HG21 ' CE2' ' A' ' 127' ' ' PHE . 3.3 mp -115.52 126.1 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.432 ' HA2' HG13 ' A' ' 73' ' ' ILE . . . 165.74 -133.13 2.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.405 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.434 ' HB2' ' CG2' ' A' ' 73' ' ' ILE . 0.1 OUTLIER -117.43 -28.19 6.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.699 0.285 . . . . 0.0 111.203 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.692 ' HB2' HG23 ' A' ' 75' ' ' THR . 0.1 OUTLIER -46.56 125.49 7.09 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.17 -179.742 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -55.38 -27.45 47.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.822 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 m -76.88 -23.41 52.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.201 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 69.4 m -54.13 160.23 1.63 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.723 0.297 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.509 ' OD1' HG23 ' A' ' 66' ' ' VAL . 7.7 t0 -74.72 -56.34 4.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.12 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.588 HG11 ' CD1' ' A' ' 37' ' ' LEU . 19.6 t -125.08 133.18 70.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.689 -179.59 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.8 pt -98.83 131.01 46.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.502 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.474 HD11 ' OD1' ' A' ' 39' ' ' ASN . 0.3 OUTLIER -128.25 133.94 48.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 111.507 -179.519 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.62 ' O ' ' HB2' ' A' ' 70' ' ' GLU . 0.6 OUTLIER 67.52 -69.45 0.14 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.636 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.62 ' HB2' ' O ' ' A' ' 69' ' ' SER . 0.0 OUTLIER 98.73 -64.63 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.718 0 O-C-N 124.258 0.974 . . . . 0.0 112.15 179.415 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.603 ' HD3' ' HB3' ' A' ' 70' ' ' GLU . 35.8 Cg_exo -59.84 -40.06 66.57 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.057 1.838 . . . . 0.0 113.428 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -116.47 32.66 6.0 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.434 ' CG2' ' HB2' ' A' ' 60' ' ' ARG . 4.4 tp -108.97 131.43 59.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.954 0.407 . . . . 0.0 111.382 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' A' ' 77' ' ' HIS . 66.3 m -78.27 134.09 37.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.182 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.692 HG23 ' HB2' ' A' ' 61' ' ' SER . 88.3 m -57.48 -32.77 67.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.781 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 77' ' ' HIS . 1.7 m-85 -112.11 14.05 20.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.417 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.463 ' CD2' ' CD1' ' A' ' 127' ' ' PHE . 12.3 t60 -27.15 -70.99 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.794 -1.094 . . . . 0.0 112.731 -179.075 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -147.79 164.07 34.77 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -135.75 130.54 34.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.984 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.901 ' CZ ' HG13 ' A' ' 97' ' ' VAL . 6.5 m-85 -119.3 131.18 55.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.143 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.414 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 13.9 m-70 -94.85 116.58 28.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.096 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.36 109.77 21.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 15.6 mt -122.12 140.03 53.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.961 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.37 135.6 54.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.819 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -151.99 144.51 24.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.977 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -101.03 128.72 46.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.423 HG12 ' HB2' ' A' ' 92' ' ' ARG . 12.1 p -139.7 135.13 39.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 t0 60.13 40.96 17.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.3 t30 60.2 31.26 20.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -142.23 158.2 44.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -86.52 127.94 34.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.423 ' HB2' HG12 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -114.97 117.66 31.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -110.33 124.19 51.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.996 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.401 ' CD1' ' HG3' ' A' ' 92' ' ' ARG . 1.3 mp -129.71 125.74 36.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.759 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.502 HD13 HD23 ' A' ' 119' ' ' LEU . 4.2 mp -112.96 137.19 46.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.226 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -114.01 125.5 54.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.645 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.901 HG13 ' CZ ' ' A' ' 80' ' ' PHE . 21.3 t -95.96 135.02 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.41 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.4 mm -121.01 143.66 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.823 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -105.47 116.76 32.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.011 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -143.69 31.15 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.793 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.422 ' OG ' ' CG ' ' A' ' 77' ' ' HIS . 16.8 m -102.96 161.08 14.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.037 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.85 -29.78 7.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.729 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -74.22 -63.83 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.277 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 167.57 134.58 1.73 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.634 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.404 HG23 ' HD1' ' A' ' 127' ' ' PHE . 90.0 m -132.12 122.96 26.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.614 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -118.56 124.7 48.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.041 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.829 HG21 HD12 ' A' ' 112' ' ' LEU . 3.0 tp -123.1 137.24 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.526 0.679 . . . . 0.0 111.321 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.8 m120 59.27 27.83 16.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.789 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.63 9.27 69.17 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.814 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -134.07 152.06 51.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.805 0.336 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.37 133.89 47.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.829 HD12 HG21 ' A' ' 107' ' ' ILE . 0.9 OUTLIER -77.12 141.47 40.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.761 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 15.9 m -154.74 153.55 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.301 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 70.77 6.76 5.97 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.616 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? 46.47 -169.79 0.01 OUTLIER 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.949 0.404 . . . . 0.0 111.344 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.1 t70 52.91 48.03 23.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.284 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.411 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 39.6 t80 -84.1 138.51 33.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.78 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.534 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.4 tp -98.63 119.24 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.339 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.619 HD11 HD11 ' A' ' 125' ' ' ILE . 5.0 tt -103.24 144.71 30.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -132.68 178.05 7.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.754 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 11.6 p-10 -61.01 147.97 41.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 66.83 43.01 92.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -112.92 136.36 52.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.32 . . . . 0.0 110.94 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.443 ' O ' HD12 ' A' ' 107' ' ' ILE . 0.0 OUTLIER -93.84 119.85 33.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.619 HD11 HD11 ' A' ' 119' ' ' LEU . 2.3 mt -115.04 132.09 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.062 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 29.5 t -124.02 133.97 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.305 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.784 ' CE2' HG21 ' A' ' 58' ' ' ILE . 7.1 m-85 -118.16 142.66 47.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.53 -64.77 0.81 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.527 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 171.74 -37.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.795 0.331 . . . . 0.0 110.983 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 68.9 p -104.08 -43.15 5.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.331 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 79.6 m -53.17 104.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.851 0.358 . . . . 0.0 111.265 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.2 m -124.5 132.33 53.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.918 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.449 ' CZ ' ' CG2' ' A' ' 125' ' ' ILE . 2.6 p90 -142.04 156.23 45.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.218 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 5.9 tp -114.98 134.0 55.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.704 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.588 ' HE1' HG21 ' A' ' 50' ' ' ILE . 93.0 t80 -108.99 141.55 40.93 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 121.991 0.9 . . . . 0.0 111.757 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp -154.57 148.86 26.05 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-N 113.822 -1.535 . . . . 0.0 110.806 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.478 ' N ' ' CD1' ' A' ' 137' ' ' TYR . 1.0 OUTLIER -74.42 139.77 44.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.991 0.425 . . . . 0.0 110.717 179.715 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.173 -179.922 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.25 0 CA-C-O 121.44 0.638 . . . . 0.0 110.74 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.3 131.5 42.74 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.636 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.8 t -59.99 120.62 10.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.004 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.53 HD22 ' OD1' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -116.43 -39.79 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.73 179.851 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.93 154.0 20.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.379 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.647 ' CD2' ' HB2' ' A' ' 138' ' ' ALA . 24.1 m-70 -118.92 161.68 19.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 111.034 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 1.093 HD12 HD11 ' A' ' 50' ' ' ILE . 17.7 mt -126.64 119.17 26.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.777 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.95 121.95 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.065 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -90.11 133.99 34.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.5 mt -117.48 107.02 13.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.401 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 2.8 mp -123.16 138.92 30.63 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.074 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.401 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 54.3 Cg_exo -52.11 90.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.512 2.141 . . . . 0.0 112.312 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.49 40.63 4.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 tttt 179.46 176.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 110.935 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -169.43 144.72 3.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -147.72 136.54 21.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -106.85 125.02 50.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.615 HG11 HG13 ' A' ' 66' ' ' VAL . 22.0 t -116.97 118.78 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.056 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.0 138.71 44.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.956 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.093 HD11 HD12 ' A' ' 37' ' ' LEU . 31.1 mm -113.93 125.23 71.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.567 ' O ' HD23 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -104.61 167.8 9.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.797 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -76.3 63.52 1.94 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.093 0.473 . . . . 0.0 110.659 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.541 ' C ' ' H ' ' A' ' 55' ' ' VAL . 15.7 ttt180 -83.87 2.25 39.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.605 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 71.66 -36.87 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -179.015 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.541 ' H ' ' C ' ' A' ' 53' ' ' ARG . 67.0 t -137.33 138.33 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.095 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.666 HG23 ' HB3' ' A' ' 65' ' ' ASP . 37.9 m -125.36 121.67 34.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.923 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.73 123.68 47.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.046 0.45 . . . . 0.0 111.031 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.3 mt -111.86 116.72 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.095 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.29 -149.88 11.07 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.419 ' HB2' ' CG2' ' A' ' 73' ' ' ILE . 0.8 OUTLIER -94.91 -25.73 16.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.655 0.264 . . . . 0.0 111.251 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.14 150.21 0.85 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.88 0.371 . . . . 0.0 111.368 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -39.14 61.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.749 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.07 -14.7 62.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.326 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 15.1 m -52.98 137.06 33.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.751 0.31 . . . . 0.0 111.122 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.666 ' HB3' HG23 ' A' ' 56' ' ' THR . 8.5 t70 -61.2 -42.98 99.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.731 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.615 HG13 HG11 ' A' ' 48' ' ' VAL . 21.6 t -124.16 125.89 71.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.031 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.3 pt -100.65 127.17 54.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.895 HD21 ' CZ ' ' A' ' 133' ' ' PHE . 0.5 OUTLIER -81.04 -165.79 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.1 p -136.32 23.45 3.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.495 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.444 ' HG2' HD13 ' A' ' 73' ' ' ILE . 10.9 pt-20 -116.44 132.55 23.27 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-O 120.54 0.209 . . . . 0.0 110.838 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 24.5 Cg_exo -63.35 -13.52 36.52 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.669 2.246 . . . . 0.0 113.155 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -106.44 29.53 6.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.67 0.271 . . . . 0.0 111.208 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.444 HD13 ' HG2' ' A' ' 70' ' ' GLU . 5.4 tp -89.26 126.36 42.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.938 0.399 . . . . 0.0 111.227 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 77' ' ' HIS . 0.9 OUTLIER -69.92 134.06 47.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.233 -179.581 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 m -60.01 -31.5 69.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.838 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 77' ' ' HIS . 2.2 m-85 -112.05 14.03 20.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.259 0.552 . . . . 0.0 111.467 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 127' ' ' PHE . 5.1 t-80 -24.37 -68.87 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.676 -1.147 . . . . 0.0 112.619 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -150.37 158.28 43.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.098 0.475 . . . . 0.0 111.984 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.526 ' O ' HD12 ' A' ' 98' ' ' ILE . 3.1 mt-10 -130.27 133.38 46.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.272 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.913 ' CE2' HG22 ' A' ' 97' ' ' VAL . 9.6 m-85 -119.31 131.06 55.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.132 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -95.57 116.36 28.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.918 0.389 . . . . 0.0 111.035 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.896 HD22 HG22 ' A' ' 50' ' ' ILE . 11.7 tp -106.51 109.74 21.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.1 mt -122.11 140.02 53.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.956 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -119.94 127.11 52.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.763 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.19 149.5 34.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.813 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -105.23 115.99 31.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.1 m -114.13 132.48 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 t70 74.87 -58.58 0.57 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.053 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -174.55 -39.74 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.88 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -86.52 157.2 19.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.786 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -86.89 129.54 34.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.067 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.37 126.15 53.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.732 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.53 ' OD1' HD22 ' A' ' 34' ' ' LEU . 3.7 m120 -110.95 124.51 52.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.161 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.6 mp -118.33 145.25 45.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.512 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.449 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.7 mp -127.26 141.04 47.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.854 0.359 . . . . 0.0 111.25 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -114.95 144.09 44.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.607 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.913 HG22 ' CE2' ' A' ' 80' ' ' PHE . 21.2 t -114.29 127.71 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.295 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 79' ' ' GLU . 3.5 mt -122.56 122.54 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.748 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.822 ' OD2' HD21 ' A' ' 112' ' ' LEU . 6.3 m-20 -107.62 128.23 54.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.226 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.12 34.82 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.759 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.25 -168.84 2.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.959 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -109.96 -35.54 6.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -81.87 -54.22 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 137.47 150.07 5.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.688 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.555 HG21 ' CE1' ' A' ' 127' ' ' PHE . 90.3 m -132.09 139.03 48.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.727 0.298 . . . . 0.0 110.687 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -119.39 138.74 52.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.012 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.821 HG22 HD22 ' A' ' 112' ' ' LEU . 3.0 tp -122.93 137.39 56.57 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 CA-C-O 121.576 0.703 . . . . 0.0 111.224 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.8 m120 60.85 30.65 19.78 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.63 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.74 12.1 73.97 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.841 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -134.04 146.35 50.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.845 0.355 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.98 131.11 40.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.822 HD21 ' OD2' ' A' ' 99' ' ' ASP . 0.9 OUTLIER -100.15 143.76 29.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 17.7 m -112.27 -32.3 2.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -68.01 169.66 9.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.818 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.93 -30.13 7.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -99.97 66.46 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.949 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.404 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 24.9 t80 -84.1 139.25 32.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.708 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.632 HD13 ' C ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -98.66 119.81 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 -179.669 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.541 ' N ' HD13 ' A' ' 118' ' ' ILE . 8.2 tt -103.0 142.49 34.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.855 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.458 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.7 OUTLIER -132.61 178.1 7.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.804 179.834 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.444 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 8.1 p30 -58.07 143.71 42.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.99 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 68.22 49.14 48.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.433 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.6 121.42 37.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.804 0.335 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 28.1 mtm180 -96.27 122.36 39.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.629 HD13 ' HZ ' ' A' ' 80' ' ' PHE . 6.0 tt -120.86 137.88 53.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 22.7 t -114.81 124.97 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.295 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.578 ' HB3' ' CE1' ' A' ' 77' ' ' HIS . 96.9 m-85 -111.46 149.83 30.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.823 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.49 -64.43 0.81 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.528 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.6 -38.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.724 0.297 . . . . 0.0 111.065 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.0 p -113.49 -36.35 4.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.286 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' CYS . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 133' ' ' PHE . 99.6 m -54.88 107.58 0.31 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.172 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 38.2 t -124.1 131.93 53.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.895 ' CZ ' HD21 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -132.49 156.01 47.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.987 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.7 tt -125.74 118.6 25.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.509 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.444 ' HD2' HD21 ' A' ' 119' ' ' LEU . 70.7 t80 -94.45 141.68 28.31 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 122.035 0.921 . . . . 0.0 112.099 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -154.31 149.53 27.01 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 113.821 -1.536 . . . . 0.0 110.672 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.509 ' N ' ' CD1' ' A' ' 137' ' ' TYR . 0.4 OUTLIER -83.81 139.37 32.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.371 . . . . 0.0 110.798 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.647 ' HB2' ' CD2' ' A' ' 36' ' ' HIS . . . . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.427 ' CE2' ' HG3' ' A' ' 53' ' ' ARG . 28.2 m-85 . . . . . 0 CA--C 1.534 0.331 0 CA-C-O 120.295 0.093 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.2 128.54 22.59 Favored 'General case' 0 C--O 1.23 0.06 0 CA-C-O 120.693 0.283 . . . . 0.0 110.615 179.705 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.6 t -69.74 145.01 52.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.247 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.622 HD11 ' ND2' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -154.31 -57.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 179.826 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.44 163.21 29.51 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.818 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.426 ' CD2' ' HB3' ' A' ' 49' ' ' GLU . 9.4 m80 -130.94 155.46 46.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.84 0.352 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.941 HD21 HD11 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -127.05 132.77 50.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.54 179.667 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.1 t -103.61 129.26 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.395 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -90.0 113.92 25.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.73 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.6 mt -84.39 106.87 16.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.528 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 12.0 mt -124.28 140.35 34.82 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.806 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.528 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 57.8 Cg_endo -73.9 86.3 1.26 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.157 1.905 . . . . 0.0 112.029 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.74 -11.21 3.42 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.502 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -179.21 166.09 1.5 Allowed 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 120.76 0.314 . . . . 0.0 110.805 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.55 154.13 50.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.991 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.86 129.13 31.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -113.11 120.91 42.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.9 t -119.37 140.32 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.426 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 19.0 pm0 -90.93 134.58 34.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.15 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.941 HD11 HD21 ' A' ' 37' ' ' LEU . 31.0 mm -101.68 117.94 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.815 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -97.08 168.28 10.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.186 -179.722 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.67 ' ND2' HD12 ' A' ' 82' ' ' LEU . 10.1 m120 -86.23 68.0 10.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.394 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.566 ' C ' ' H ' ' A' ' 55' ' ' VAL . 24.2 ttt-85 -90.98 4.27 52.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.888 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.441 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 1.2 t-20 71.66 -35.92 0.34 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.566 ' H ' ' C ' ' A' ' 53' ' ' ARG . 88.8 t -137.28 139.06 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.39 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.528 HG22 ' CB ' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -125.2 130.93 53.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.375 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.69 133.62 48.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.958 0.408 . . . . 0.0 110.872 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.445 HD12 ' CE1' ' A' ' 80' ' ' PHE . 27.1 mt -125.98 121.58 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.296 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.64 -137.32 4.15 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.156 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.622 ' HG3' HG22 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -111.34 -19.62 12.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.61 0.243 . . . . 0.0 111.117 179.815 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.68 ' HB2' HG23 ' A' ' 75' ' ' THR . 0.1 OUTLIER -53.45 151.12 5.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.858 0.361 . . . . 0.0 111.042 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -75.61 -38.34 59.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.95 -19.98 63.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.228 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 40.1 m -53.91 157.24 2.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.528 ' CB ' HG22 ' A' ' 56' ' ' THR . 0.7 OUTLIER -74.42 -59.96 2.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.968 0.414 . . . . 0.0 110.894 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.09 129.65 67.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.079 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.4 pt -101.49 106.53 19.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.184 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.717 ' CD1' HD11 ' A' ' 73' ' ' ILE . 61.4 mt -65.58 178.95 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.8 p -112.72 67.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.03 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.402 ' HB2' HD13 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -139.99 128.15 13.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.602 179.856 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.57 -16.73 54.97 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.43 2.087 . . . . 0.0 112.413 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -126.6 33.0 5.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.688 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.717 HD11 ' CD1' ' A' ' 68' ' ' LEU . 2.9 tp -74.35 125.97 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.116 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 m -55.72 133.22 50.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.173 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.68 HG23 ' HB2' ' A' ' 61' ' ' SER . 89.1 m -62.14 -38.86 90.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.454 ' O ' ' C ' ' A' ' 77' ' ' HIS . 5.5 m-85 -105.76 14.08 28.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.45 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.499 ' CD2' ' CD1' ' A' ' 127' ' ' PHE . 1.8 t60 -19.24 -68.98 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.585 -1.189 . . . . 0.0 112.888 -179.235 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . . . -150.96 164.1 37.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.975 0.417 . . . . 0.0 111.947 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 56' ' ' THR . 8.0 pt-20 -131.12 138.41 49.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.771 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.71 ' CZ ' HG13 ' A' ' 97' ' ' VAL . 10.0 m-85 -119.43 131.33 55.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.953 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.441 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 12.4 m-70 -94.73 116.73 29.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.839 0.352 . . . . 0.0 111.218 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.67 HD12 ' ND2' ' A' ' 52' ' ' ASN . 0.4 OUTLIER -106.08 109.36 21.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.691 179.636 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.46 140.06 53.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -113.94 129.36 56.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -136.53 147.96 47.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.103 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -103.17 119.65 39.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 m -127.81 115.62 40.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.338 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 55.94 78.45 0.2 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 66.39 -71.57 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.989 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -70.03 177.03 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.713 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.03 127.94 27.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.2 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -102.47 143.96 31.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.625 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.622 ' ND2' HD11 ' A' ' 34' ' ' LEU . 7.9 m-80 -109.82 130.74 55.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.14 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.35 137.89 51.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.624 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.415 ' HB ' ' HB3' ' A' ' 119' ' ' LEU . 3.9 mp -121.01 140.39 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 111.28 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.97 144.08 43.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.929 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.71 HG13 ' CZ ' ' A' ' 80' ' ' PHE . 11.9 t -117.03 123.02 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.036 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 98' ' ' ILE . 3.8 mp -127.28 123.93 62.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.061 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.67 ' HB2' HD22 ' A' ' 112' ' ' LEU . 0.2 OUTLIER -114.03 130.74 56.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -149.62 42.92 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 m -123.8 -177.65 3.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -117.49 41.49 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.82 -34.3 5.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.311 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.77 125.29 5.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.445 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.467 ' HG1' ' HD1' ' A' ' 127' ' ' PHE . 56.2 m -132.06 126.1 33.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 111.022 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -121.08 115.01 22.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.797 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.624 ' HB ' HG23 ' A' ' 125' ' ' ILE . 0.0 OUTLIER -120.53 137.03 55.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.301 0.572 . . . . 0.0 111.257 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.541 ' HB2' HD13 ' A' ' 107' ' ' ILE . 4.7 m-20 64.16 29.58 13.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.804 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.65 11.98 73.49 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.903 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -134.0 141.17 47.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.815 0.341 . . . . 0.0 110.979 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -70.22 135.47 49.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.67 HD22 ' HB2' ' A' ' 99' ' ' ASP . 8.8 tt -83.95 122.61 28.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 17.1 m -115.46 -40.82 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.76 -178.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.789 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.56 -33.42 5.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.035 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.53 72.62 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.075 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -83.98 138.78 32.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.727 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.53 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.2 tp -98.66 118.04 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.984 0.421 . . . . 0.0 111.495 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.852 HD23 ' N ' ' A' ' 120' ' ' LYS . 3.6 tt -103.17 140.22 37.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.97 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.852 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -134.3 176.23 8.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.854 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.425 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 6.4 p-10 -58.8 141.51 52.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.978 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.418 ' HA2' HD21 ' A' ' 134' ' ' LEU . . . 74.11 53.03 7.25 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.502 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.494 ' HB2' HD21 ' A' ' 119' ' ' LEU . 90.0 m-20 -131.47 134.26 45.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.807 0.337 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -103.46 124.2 48.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.669 HD11 HD11 ' A' ' 119' ' ' LEU . 3.4 mp -120.87 126.34 75.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.089 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.4 t -109.47 133.85 53.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 78' ' ' ALA . 5.4 m-85 -119.72 130.62 55.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.077 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 85.78 -68.02 3.46 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.424 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 169.96 -33.44 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.742 0.306 . . . . 0.0 110.985 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 5.4 p -106.43 -42.72 4.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.396 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' CYS . . . . . 0.52 ' HB3' HD22 ' A' ' 68' ' ' LEU . 44.9 m -57.71 104.79 0.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.985 0.422 . . . . 0.0 111.202 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 29.0 t -124.5 125.86 44.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.918 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.432 ' CE1' ' HB ' ' A' ' 125' ' ' ILE . 25.3 p90 -142.09 156.06 45.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.928 0.394 . . . . 0.0 111.206 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.472 HD23 ' N ' ' A' ' 135' ' ' PHE . 5.6 tt -122.2 124.84 44.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.639 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.472 ' N ' HD23 ' A' ' 134' ' ' LEU . 86.8 t80 -92.02 141.41 28.64 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 122.04 0.924 . . . . 0.0 111.831 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.58 153.44 31.41 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 113.774 -1.557 . . . . 0.0 110.665 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.455 ' N ' ' CD1' ' A' ' 137' ' ' TYR . 1.1 m-30 -78.39 139.84 38.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.065 0.46 . . . . 0.0 110.632 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.167 -179.738 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.425 ' HB2' ' CG2' ' A' ' 51' ' ' THR . 40.9 m-85 . . . . . 0 CA--C 1.534 0.341 0 N-CA-C 110.602 -0.148 . . . . 0.0 110.602 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -140.24 129.88 24.31 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.788 0.328 . . . . 0.0 110.248 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.03 134.96 57.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.925 0.393 . . . . 0.0 111.199 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.024 HD13 HD12 ' A' ' 82' ' ' LEU . 7.3 tt -132.93 -48.07 0.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.758 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.448 ' O ' HG22 ' A' ' 50' ' ' ILE . . . -159.15 -173.38 27.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.516 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.63 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 40.9 m80 -142.79 160.34 40.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.838 0.351 . . . . 0.0 110.881 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.691 HD11 ' HB ' ' A' ' 50' ' ' ILE . 1.0 OUTLIER -127.2 119.72 27.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.763 179.788 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.2 t -104.39 121.78 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.172 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -90.27 133.01 35.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.804 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.2 mp -106.18 106.67 17.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.833 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.433 HD12 ' O ' ' A' ' 44' ' ' LYS . 1.4 mp -124.32 139.02 31.97 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.403 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 77.9 Cg_exo -50.49 -25.15 13.68 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.363 2.042 . . . . 0.0 112.507 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.45 -40.43 7.83 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.644 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.433 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -179.72 163.94 1.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.852 0.358 . . . . 0.0 110.947 179.836 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -94.41 174.06 7.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.08 129.65 8.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -107.22 124.94 50.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.6 t -116.86 137.53 50.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -88.27 122.27 31.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.691 ' HB ' HD11 ' A' ' 37' ' ' LEU . 3.7 tt -113.23 124.51 69.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.994 0.426 . . . . 0.0 111.182 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.425 ' CG2' ' HB2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -97.43 168.23 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.127 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.436 ' ND2' ' H ' ' A' ' 52' ' ' ASN . 0.1 OUTLIER -80.61 68.21 6.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.115 0.484 . . . . 0.0 110.469 179.422 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.572 ' C ' ' H ' ' A' ' 55' ' ' VAL . 19.6 ttt-85 -81.87 5.51 18.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.038 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.478 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 25.1 m-80 69.67 -35.96 0.33 Allowed 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -178.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.572 ' H ' ' C ' ' A' ' 53' ' ' ARG . 61.1 t -137.5 132.68 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.477 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.766 HG23 ' CB ' ' A' ' 65' ' ' ASP . 53.4 m -125.07 127.32 46.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.262 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -104.14 119.68 39.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.025 0.44 . . . . 0.0 111.188 -179.62 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.476 ' CG2' HD23 ' A' ' 68' ' ' LEU . 19.2 mt -107.84 122.29 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.026 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.84 -139.92 5.43 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.456 -0.878 . . . . 0.0 113.014 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.437 ' HB2' ' CG2' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -106.99 -32.84 7.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.321 . . . . 0.0 111.176 -179.586 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.616 ' HB2' HG23 ' A' ' 75' ' ' THR . 2.0 t -45.68 153.11 0.28 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.327 -179.568 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -75.3 -34.14 61.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.88 -19.25 62.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.2 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.406 ' HA ' ' CB ' ' A' ' 57' ' ' THR . 6.1 m -53.78 141.02 28.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.006 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.766 ' CB ' HG23 ' A' ' 56' ' ' THR . 3.3 m-20 -65.26 -53.81 38.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.138 0.494 . . . . 0.0 110.429 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.0 t -109.49 133.09 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.727 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.491 HD13 ' H ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -105.59 106.55 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.201 -179.861 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.778 HD21 ' CE2' ' A' ' 133' ' ' PHE . 0.2 OUTLIER -76.75 -152.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.031 179.615 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 1.2 m -39.62 -93.95 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 117.548 0.158 . . . . 0.0 111.285 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' A' ' 69' ' ' SER . 2.1 mm-40 155.99 -67.66 0.0 OUTLIER Pre-proline 0 N--CA 1.469 0.499 0 CA-C-O 120.644 0.259 . . . . 0.0 111.662 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 70' ' ' GLU . 39.8 Cg_endo -67.14 -16.24 48.4 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.555 2.17 . . . . 0.0 113.585 -178.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -137.05 34.99 2.57 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.677 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 73' ' ' ILE . 4.9 tp -117.75 126.01 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-O 120.995 0.426 . . . . 0.0 111.237 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.428 ' HB2' ' CG ' ' A' ' 77' ' ' HIS . 34.7 m -62.25 133.73 55.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.061 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.616 HG23 ' HB2' ' A' ' 61' ' ' SER . 91.4 m -54.73 -44.05 73.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.465 ' O ' ' C ' ' A' ' 77' ' ' HIS . 16.2 p90 -110.45 13.68 22.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.231 0.538 . . . . 0.0 111.54 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.465 ' C ' ' O ' ' A' ' 76' ' ' PHE . 1.6 t-160 -13.16 -65.58 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.571 -1.195 . . . . 0.0 113.063 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -154.19 160.11 41.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.12 0.486 . . . . 0.0 112.039 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -122.19 134.86 54.71 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.015 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.702 ' CE1' HG13 ' A' ' 97' ' ' VAL . 3.2 m-85 -119.52 131.1 55.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.74 0.305 . . . . 0.0 111.24 -179.416 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.478 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 11.2 m170 -97.16 116.84 30.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 0.0 111.013 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.024 HD12 HD13 ' A' ' 34' ' ' LEU . 2.3 mm? -106.1 109.68 21.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.835 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.512 HD23 ' N ' ' A' ' 84' ' ' GLN . 1.0 OUTLIER -122.1 139.44 53.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.984 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.512 ' N ' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -103.41 128.09 50.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.808 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -112.66 128.8 56.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -85.32 116.0 23.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.022 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.401 HG21 ' HE ' ' A' ' 92' ' ' ARG . 19.8 t -136.61 139.05 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.023 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -53.12 157.28 1.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.09 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 69.05 -67.58 0.21 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -136.8 154.79 50.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -82.98 157.43 22.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.834 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.401 ' HE ' HG21 ' A' ' 87' ' ' VAL . 5.4 mtm180 -115.9 125.8 53.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.609 ' HB3' HD21 ' A' ' 34' ' ' LEU . 16.1 m-80 -113.55 128.4 56.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.1 mp -123.0 128.37 50.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.435 HD13 HD23 ' A' ' 119' ' ' LEU . 4.0 mp -118.34 141.05 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.417 ' HB3' ' HB2' ' A' ' 81' ' ' HIS . 26.9 t30 -113.84 144.09 43.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.789 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.702 HG13 ' CE1' ' A' ' 80' ' ' PHE . 12.7 t -113.25 122.08 66.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.188 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.4 ' CD1' ' NE2' ' A' ' 81' ' ' HIS . 32.9 mt -126.68 121.01 57.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -111.79 133.83 53.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.05 37.21 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.6 m -128.85 176.73 7.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.01 30.7 7.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.47 -28.12 15.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.18 111.28 3.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.446 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.456 ' CG2' ' CE1' ' A' ' 127' ' ' PHE . 85.2 m -118.73 125.6 50.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.405 ' CE2' ' HG3' ' A' ' 111' ' ' ARG . 38.8 m-85 -121.04 114.98 22.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.8 HG22 HD22 ' A' ' 112' ' ' LEU . 2.8 tp -111.54 137.36 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.441 0.638 . . . . 0.0 111.239 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.0 m120 62.54 26.33 15.65 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.834 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.66 9.64 70.02 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.801 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -134.23 151.53 51.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.884 0.373 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.405 ' HG3' ' CE2' ' A' ' 106' ' ' PHE . 0.9 OUTLIER -69.95 132.54 46.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.76 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.8 HD22 HG22 ' A' ' 107' ' ' ILE . 1.6 pt? -99.97 141.05 33.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.025 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 12.6 p -118.95 -39.54 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -59.89 130.74 48.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.788 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -72.66 -16.86 61.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -120.67 68.68 0.87 Allowed 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -78.88 139.12 38.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.626 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.553 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.3 tp -98.41 116.44 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-O 121.015 0.436 . . . . 0.0 111.345 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.435 HD23 HD13 ' A' ' 95' ' ' ILE . 6.8 tt -103.19 143.77 32.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.073 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.1 mtmm -135.62 178.13 7.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.72 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.423 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 7.8 p-10 -55.64 137.82 48.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.099 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 77.23 43.01 17.52 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.624 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -114.95 130.47 56.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.601 ' HD2' HD12 ' A' ' 134' ' ' LEU . 0.3 OUTLIER -104.45 114.9 29.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.787 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.5 ' HB ' HD13 ' A' ' 107' ' ' ILE . 2.9 tt -116.64 137.77 49.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.619 HG22 ' HB2' ' A' ' 132' ' ' SER . 21.2 t -116.57 127.61 74.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.196 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.456 ' CE1' ' CG2' ' A' ' 105' ' ' THR . 40.6 m-85 -119.29 130.65 55.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.763 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.485 ' O ' ' HB2' ' A' ' 129' ' ' LYS . . . 86.78 -7.45 79.81 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.741 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 128' ' ' GLY . 4.6 mtpp 74.71 32.16 0.89 Allowed 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.075 0.464 . . . . 0.0 110.358 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 53.2 p -161.49 -43.46 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.94 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' CYS . . . . . 0.415 ' HB3' HD12 ' A' ' 68' ' ' LEU . 6.8 m -88.01 110.97 21.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.841 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.619 ' HB2' HG22 ' A' ' 126' ' ' VAL . 33.4 t -124.17 138.44 54.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.181 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.778 ' CE2' HD21 ' A' ' 68' ' ' LEU . 15.5 p90 -142.09 156.16 45.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.601 HD12 ' HD2' ' A' ' 124' ' ' ARG . 8.9 tt -107.88 139.98 41.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.058 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -110.74 141.63 43.79 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.925 0.869 . . . . 0.0 111.596 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -154.56 160.75 41.69 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 113.899 -1.5 . . . . 0.0 110.955 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.423 ' CE2' ' HB3' ' A' ' 121' ' ' ASN . 3.4 m-85 -85.57 139.84 31.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.971 0.415 . . . . 0.0 110.749 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.63 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . . . . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.191 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.443 ' HB2' HG21 ' A' ' 51' ' ' THR . 88.5 m-85 . . . . . 0 CA--C 1.535 0.376 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.24 129.26 27.08 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-O 120.887 0.375 . . . . 0.0 110.37 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.98 145.08 47.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.071 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.626 HD11 ' HG2' ' A' ' 84' ' ' GLN . 0.6 OUTLIER -149.28 -45.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.834 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.718 ' C ' HG22 ' A' ' 50' ' ' ILE . . . -143.86 179.53 21.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.499 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.434 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 47.0 m80 -146.69 157.88 43.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.859 0.361 . . . . 0.0 110.637 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mt -121.63 115.92 23.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.043 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.95 121.74 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.004 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -90.0 116.73 28.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.468 ' O ' HD13 ' A' ' 41' ' ' ILE . 5.3 mp -70.61 106.69 3.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.811 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.468 HD13 ' O ' ' A' ' 40' ' ' LEU . 30.8 mm -124.11 138.74 31.25 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.967 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.422 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 89.9 Cg_exo -44.33 -29.26 2.93 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.513 2.142 . . . . 0.0 112.603 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.34 -122.62 3.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.302 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.18 138.52 38.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.854 0.359 . . . . 0.0 111.053 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -89.81 150.01 22.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.64 108.26 17.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -105.77 126.75 52.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.1 t -119.76 151.08 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.163 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -101.37 133.05 46.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.718 HG22 ' C ' ' A' ' 35' ' ' GLY . 1.7 tt -114.53 132.17 64.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.443 HG21 ' HB2' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -105.7 168.39 9.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.225 -179.565 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.567 ' HB3' HD12 ' A' ' 34' ' ' LEU . 6.7 p30 -83.67 68.53 9.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.289 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.565 ' C ' ' H ' ' A' ' 55' ' ' VAL . 18.1 ttt180 -88.49 4.77 45.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.062 -179.287 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.424 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 1.2 t-20 71.56 -37.49 0.39 Allowed 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -178.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.565 ' H ' ' C ' ' A' ' 53' ' ' ARG . 68.7 t -137.3 137.83 45.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.581 179.277 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.762 HG23 ' HB3' ' A' ' 65' ' ' ASP . 31.7 m -125.43 129.72 50.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.952 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.69 132.81 49.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.858 0.361 . . . . 0.0 110.571 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.674 HD11 ' CD2' ' A' ' 80' ' ' PHE . 40.2 mt -116.69 128.37 74.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.698 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 161.62 -135.31 3.87 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.127 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.469 ' HG3' ' HG2' ' A' ' 70' ' ' GLU . 5.2 ttp85 -115.46 -27.28 7.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.65 0.262 . . . . 0.0 110.999 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.649 ' HB2' HG23 ' A' ' 75' ' ' THR . 0.1 OUTLIER -46.37 122.26 3.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.868 0.366 . . . . 0.0 110.925 -179.831 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -55.02 -27.0 40.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.088 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -75.5 -22.97 56.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.067 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.2 m -54.99 163.1 1.09 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.762 ' HB3' HG23 ' A' ' 56' ' ' THR . 9.7 t70 -82.23 -49.44 10.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.022 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 58' ' ' ILE . 21.6 t -124.96 133.11 70.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.379 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -101.18 122.3 53.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.727 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.709 HD21 ' CE1' ' A' ' 133' ' ' PHE . 7.6 mt -82.74 -94.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.78 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.0 t -91.8 -108.39 0.1 Allowed 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.614 ' CB ' ' HD3' ' A' ' 71' ' ' PRO . 1.2 mt-10 168.26 -65.41 0.0 OUTLIER Pre-proline 0 CA--C 1.531 0.224 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 179.097 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.614 ' HD3' ' CB ' ' A' ' 70' ' ' GLU . 35.3 Cg_exo -60.35 -40.0 62.19 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 121.865 1.71 . . . . 0.0 113.075 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -125.5 28.9 6.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.456 ' CG2' ' HB2' ' A' ' 60' ' ' ARG . 7.0 tp -98.25 120.05 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.01 0.433 . . . . 0.0 111.124 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.4 m -59.14 133.49 56.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.215 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.649 HG23 ' HB2' ' A' ' 61' ' ' SER . 93.5 m -63.67 -37.09 86.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.681 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.453 ' O ' ' C ' ' A' ' 77' ' ' HIS . 5.5 m-85 -106.22 13.86 28.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.247 0.546 . . . . 0.0 111.329 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.453 ' C ' ' O ' ' A' ' 76' ' ' PHE . 2.7 t-160 -19.93 -70.03 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.616 -1.175 . . . . 0.0 112.92 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.68 164.1 38.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.966 0.413 . . . . 0.0 111.946 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 56' ' ' THR . 10.1 mt-10 -126.47 134.8 50.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.684 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.674 ' CD2' HD11 ' A' ' 58' ' ' ILE . 14.4 m-85 -119.45 125.26 48.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.628 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.424 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 8.3 m80 -94.86 116.26 28.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.919 0.39 . . . . 0.0 111.385 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.405 HD21 HD13 ' A' ' 34' ' ' LEU . 1.7 tt -106.67 109.43 21.34 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.711 179.391 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.572 HD23 ' H ' ' A' ' 84' ' ' GLN . 0.8 OUTLIER -122.27 140.18 52.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.055 -179.844 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.626 ' HG2' HD11 ' A' ' 34' ' ' LEU . 11.6 mt-30 -99.7 124.98 45.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.2 120.62 15.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -107.13 124.22 49.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.035 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.5 m -124.1 139.09 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.066 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 t0 74.51 -59.21 0.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.057 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -174.8 -43.92 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -79.61 138.04 37.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.633 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -82.95 127.68 33.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.076 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -117.19 138.68 51.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.752 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.447 ' C ' HD12 ' A' ' 94' ' ' LEU . 21.1 m-80 -114.05 131.41 56.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.942 0.401 . . . . 0.0 111.104 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.551 ' N ' HD12 ' A' ' 94' ' ' LEU . 5.2 mp -117.5 138.03 52.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.633 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 95' ' ' ILE . 4.2 mp -117.24 141.33 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.905 0.383 . . . . 0.0 111.328 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.76 132.74 55.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.821 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.673 HG13 ' CE1' ' A' ' 80' ' ' PHE . 3.3 t -95.87 128.27 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.249 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 22.3 mt -130.12 120.94 50.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.887 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -115.95 133.23 56.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.002 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.36 33.51 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.1 m -118.42 170.68 8.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.96 31.95 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.51 -40.64 7.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.217 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 112.96 109.23 2.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.459 HG21 ' CE1' ' A' ' 127' ' ' PHE . 58.6 m -112.98 125.63 54.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.752 0.311 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -120.22 123.49 43.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.451 HG22 HD11 ' A' ' 112' ' ' LEU . 3.2 tp -122.43 137.23 56.67 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 CA-C-O 121.557 0.694 . . . . 0.0 111.339 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.8 m120 59.84 28.38 17.85 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.846 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.63 11.76 73.17 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.839 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -134.12 136.86 44.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.717 0.294 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.96 142.4 57.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.515 ' H ' HD12 ' A' ' 112' ' ' LEU . 4.7 mp -76.95 142.25 40.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 11.3 m -136.53 31.67 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.03 178.83 7.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -108.37 -44.52 4.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.18 74.34 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.768 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.401 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -84.12 139.27 32.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.526 ' O ' HG23 ' A' ' 118' ' ' ILE . 7.7 tp -98.56 119.17 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.558 HD21 ' HD2' ' A' ' 135' ' ' PHE . 8.7 tt -103.13 136.17 43.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.153 0.502 . . . . 0.0 111.642 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt -119.28 126.53 51.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.588 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.659 ' HB3' ' HA ' ' A' ' 136' ' ' LYS . 1.1 m120 -50.87 148.05 4.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.239 0.543 . . . . 0.0 111.635 -179.042 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 135' ' ' PHE . . . 93.2 40.92 4.7 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.748 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.607 ' C ' HD22 ' A' ' 134' ' ' LEU . 21.1 m-20 -142.48 162.46 35.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.878 0.37 . . . . 0.0 110.939 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.454 ' HG2' HD23 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -95.08 123.06 38.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 -179.843 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.3 mt -114.85 121.92 67.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.961 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 38.6 t -109.47 124.0 65.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.036 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.459 ' CE1' HG21 ' A' ' 105' ' ' THR . 11.1 m-85 -122.19 146.38 47.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.758 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 80.58 -65.95 3.79 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.326 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 170.38 -33.85 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.789 0.328 . . . . 0.0 111.043 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 93.5 p -119.65 -34.94 3.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.493 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' CYS . . . . . 0.676 ' HB3' HD22 ' A' ' 68' ' ' LEU . 33.3 m -54.37 104.78 0.12 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.994 0.426 . . . . 0.0 111.312 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 68.1 m -124.5 127.32 47.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.868 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.709 ' CE1' HD21 ' A' ' 68' ' ' LEU . 5.0 p90 -142.22 155.58 45.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.197 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.607 HD22 ' C ' ' A' ' 123' ' ' ASP . 0.3 OUTLIER -109.14 119.57 39.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.529 179.428 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.558 ' HD2' HD21 ' A' ' 119' ' ' LEU . 22.9 t80 -91.62 141.44 28.71 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 121.485 0.659 . . . . 0.0 110.376 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.659 ' HA ' ' HB3' ' A' ' 121' ' ' ASN . 0.3 OUTLIER -155.09 153.2 30.52 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.543 -179.317 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 121' ' ' ASN . 86.4 m-85 -70.98 141.0 51.04 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.139 0.495 . . . . 0.0 110.146 178.643 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 34' ' ' LEU . . . . . . . . 0 C--N 1.318 -0.803 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.233 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.414 ' HB2' ' CG2' ' A' ' 51' ' ' THR . 5.2 m-85 . . . . . 0 CA--C 1.535 0.394 0 N-CA-C 110.758 -0.09 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.23 128.87 22.98 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.773 0.321 . . . . 0.0 110.81 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.41 114.97 6.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.821 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.544 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -118.46 -39.77 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.048 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.533 ' O ' HG22 ' A' ' 50' ' ' ILE . . . -153.52 176.13 31.64 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.55 -0.834 . . . . 0.0 112.729 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.506 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 27.0 m80 -138.54 158.0 45.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.614 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.48 HD23 ' HB2' ' A' ' 135' ' ' PHE . 3.5 mt -119.98 119.52 33.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.9 121.83 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -90.1 130.09 36.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mt -99.01 106.82 19.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.79 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.0 mp -124.07 132.61 24.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.056 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -57.24 85.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.299 2.0 . . . . 0.0 112.275 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.75 -28.69 1.45 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.553 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.37 149.87 0.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.8 0.333 . . . . 0.0 110.933 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.87 165.05 11.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.62 122.64 14.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.02 131.54 40.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.7 t -119.91 141.25 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.9 123.25 39.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.821 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.533 HG22 ' O ' ' A' ' 35' ' ' GLY . 12.2 tt -116.07 132.06 66.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.215 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.414 ' CG2' ' HB2' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -98.03 168.19 10.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.783 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.401 ' HA ' ' CD2' ' A' ' 82' ' ' LEU . 17.9 m120 -59.5 -91.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.484 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.539 ' C ' ' H ' ' A' ' 55' ' ' VAL . 10.0 ttt-85 73.86 -4.29 2.3 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 179.219 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.67 ' OD1' HD12 ' A' ' 83' ' ' LEU . 2.5 t-20 71.31 -36.02 0.35 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.539 ' H ' ' C ' ' A' ' 53' ' ' ARG . 60.1 t -135.55 142.64 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.723 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.712 HG23 ' CB ' ' A' ' 65' ' ' ASP . 89.5 m -125.07 129.49 50.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.71 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.2 OUTLIER -103.96 140.1 38.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.951 0.405 . . . . 0.0 110.802 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 34.5 mt -130.18 124.75 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.112 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.98 -140.12 5.79 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.793 ' CG ' HG22 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -110.25 -20.43 12.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.673 0.273 . . . . 0.0 111.082 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.694 ' HB2' HG23 ' A' ' 75' ' ' THR . 1.4 t -55.23 154.09 6.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.862 0.363 . . . . 0.0 110.985 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -36.2 61.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.98 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 m -70.01 -21.8 63.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.26 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 4.0 m -52.68 151.9 4.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.072 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.712 ' CB ' HG23 ' A' ' 56' ' ' THR . 0.9 OUTLIER -68.97 -55.97 9.27 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.025 0.44 . . . . 0.0 110.754 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.436 HG21 ' CD1' ' A' ' 37' ' ' LEU . 26.0 t -119.56 127.46 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.067 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.1 pp -92.08 104.86 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.95 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.678 HD22 ' SG ' ' A' ' 131' ' ' CYS . 13.4 mt -56.7 166.6 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.016 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.5 m -94.0 51.13 1.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.58 ' HB2' HD13 ' A' ' 73' ' ' ILE . 1.0 OUTLIER -130.92 126.2 21.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.607 179.693 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.05 -13.87 41.43 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.458 2.106 . . . . 0.0 112.725 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -138.44 45.41 2.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.879 0.371 . . . . 0.0 111.08 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.793 HG22 ' CG ' ' A' ' 60' ' ' ARG . 0.6 OUTLIER -83.46 147.78 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.86 132.13 53.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.004 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.694 HG23 ' HB2' ' A' ' 61' ' ' SER . 93.5 m -63.53 -40.45 97.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.809 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.457 ' O ' ' C ' ' A' ' 77' ' ' HIS . 6.7 m-85 -102.01 14.05 33.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.37 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.457 ' C ' ' O ' ' A' ' 76' ' ' PHE . 4.6 t60 -19.34 -69.41 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.745 -1.116 . . . . 0.0 112.792 -179.378 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -145.31 162.59 36.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.031 0.444 . . . . 0.0 111.816 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.41 122.43 17.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.418 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.829 ' CZ ' HG13 ' A' ' 97' ' ' VAL . 6.1 m-85 -119.27 131.2 55.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.618 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 55' ' ' VAL . 2.1 m80 -94.69 116.26 28.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.929 0.395 . . . . 0.0 111.424 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.822 HD13 HD11 ' A' ' 95' ' ' ILE . 10.3 tp -106.62 109.56 21.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.238 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.67 HD12 ' OD1' ' A' ' 54' ' ' ASN . 0.6 OUTLIER -122.35 140.09 53.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 -179.833 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -98.02 120.93 39.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.69 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.44 121.67 44.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -98.09 115.99 29.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.802 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.8 p -140.08 128.11 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.004 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.96 -165.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.761 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -49.04 -62.3 1.6 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.315 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -82.7 -174.14 5.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -131.86 141.77 49.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.0 140.29 49.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.603 ' C ' HD22 ' A' ' 94' ' ' LEU . 4.2 m-80 -114.0 149.45 35.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.608 HD12 HD11 ' A' ' 118' ' ' ILE . 4.4 mm? -128.27 136.93 51.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.708 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.822 HD11 HD13 ' A' ' 82' ' ' LEU . 17.2 mm -118.75 141.2 39.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.225 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -115.01 144.14 44.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.829 HG13 ' CZ ' ' A' ' 80' ' ' PHE . 25.9 t -111.76 130.47 65.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.388 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 12.7 mt -130.1 120.83 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.64 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.453 ' OD2' HD23 ' A' ' 112' ' ' LEU . 0.9 OUTLIER -94.09 139.05 31.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.976 -179.764 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -176.1 39.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.36 179.77 6.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 40.5 mtp85 -120.08 28.82 7.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.818 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -149.83 -62.0 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.173 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 166.17 135.73 1.9 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.635 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.543 HG23 ' CD1' ' A' ' 127' ' ' PHE . 90.1 m -125.4 122.88 38.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.749 0.309 . . . . 0.0 110.714 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.428 ' CE2' ' HD3' ' A' ' 111' ' ' ARG . 18.3 m-85 -121.09 117.11 26.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.001 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.718 HG22 HD21 ' A' ' 112' ' ' LEU . 2.8 tp -122.96 137.23 57.14 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 CA-C-O 121.498 0.666 . . . . 0.0 111.25 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.0 m120 60.33 25.76 15.26 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.67 13.1 74.68 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.86 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -131.75 141.14 49.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.428 ' HD3' ' CE2' ' A' ' 106' ' ' PHE . 1.6 tpt85 -75.15 143.01 43.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.718 HD21 HG22 ' A' ' 107' ' ' ILE . 3.3 mm? -70.5 130.12 41.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.77 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 6.7 m -141.03 31.26 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -172.23 155.58 3.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -97.24 168.41 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.6 t0 59.97 55.29 3.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.817 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -84.0 139.35 32.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.608 HD11 HD12 ' A' ' 94' ' ' LEU . 8.5 tp -98.34 117.21 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-O 121.045 0.45 . . . . 0.0 110.96 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.845 HD23 ' N ' ' A' ' 120' ' ' LYS . 2.3 tt -103.11 137.28 41.49 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.251 0.548 . . . . 0.0 111.565 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.845 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.8 OUTLIER -117.85 126.98 53.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.406 178.721 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.562 ' HB2' ' CE2' ' A' ' 137' ' ' TYR . 2.0 m-80 -53.87 131.5 40.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.618 -179.04 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 112.82 41.18 1.02 Allowed Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.314 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -139.85 168.61 19.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.8 0.334 . . . . 0.0 110.974 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.515 ' HE ' HD12 ' A' ' 134' ' ' LEU . 0.3 OUTLIER -97.89 124.61 42.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.52 HG12 HD13 ' A' ' 107' ' ' ILE . 4.1 mt -114.78 122.93 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.974 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 35.0 t -118.42 129.41 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.543 ' CD1' HG23 ' A' ' 105' ' ' THR . 58.7 m-85 -120.06 128.11 53.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.813 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 83.56 -67.54 3.71 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.285 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 168.27 -31.78 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.825 0.345 . . . . 0.0 111.106 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 18.3 p -98.75 -54.68 2.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.54 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' CYS . . . . . 0.678 ' SG ' HD22 ' A' ' 68' ' ' LEU . 78.9 m -53.26 102.36 0.05 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.076 0.465 . . . . 0.0 111.641 -179.34 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.5 m -124.94 114.03 18.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.922 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -142.11 155.54 45.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.859 0.361 . . . . 0.0 111.286 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.515 HD12 ' HE ' ' A' ' 124' ' ' ARG . 2.0 tt -112.27 125.57 54.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.732 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.48 ' HB2' HD23 ' A' ' 37' ' ' LEU . 14.6 t80 -96.01 140.64 30.46 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 121.797 0.808 . . . . 0.0 111.027 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.507 ' HA ' ' HB3' ' A' ' 121' ' ' ASN . 8.4 tttt -155.22 155.98 34.83 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 114.026 -1.443 . . . . 0.0 111.424 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 121' ' ' ASN . 38.5 m-85 -69.15 141.21 54.65 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.188 0.518 . . . . 0.0 110.491 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.506 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . . . . . . . . 0 C--N 1.316 -0.88 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.197 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 . . . . . 0 CA--C 1.537 0.445 0 CA-C-O 120.202 0.049 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.517 ' N ' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.43 138.5 34.77 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-O 120.835 0.35 . . . . 0.0 110.56 179.697 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.2 t -59.86 145.02 47.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.422 HD11 ' HG3' ' A' ' 84' ' ' GLN . 0.4 OUTLIER -148.6 -46.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.615 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.593 ' O ' ' HB ' ' A' ' 50' ' ' ILE . . . -164.13 135.08 3.6 Favored Glycine 0 C--O 1.227 -0.294 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.872 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.428 ' CG ' ' HA ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -108.81 159.46 16.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.114 0.483 . . . . 0.0 111.187 -179.481 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.559 HD12 ' HB ' ' A' ' 48' ' ' VAL . 0.2 OUTLIER -127.54 125.13 39.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.433 179.498 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.3 t -101.62 127.96 54.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.333 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -87.86 134.54 33.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.749 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 40' ' ' LEU . 3.9 mm? -90.22 106.45 18.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.83 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.549 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 2.1 mp -124.6 141.17 37.15 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.687 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.549 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 56.8 Cg_endo -73.24 -39.29 2.2 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.107 1.871 . . . . 0.0 112.316 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.57 -32.61 67.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.39 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.0 ptpp? 173.5 118.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.786 0.327 . . . . 0.0 110.809 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.471 ' HA ' HD12 ' A' ' 41' ' ' ILE . 4.3 mp0 -56.71 169.92 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -150.24 132.47 15.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.806 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.97 130.44 56.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.018 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.559 ' HB ' HD12 ' A' ' 37' ' ' LEU . 25.0 t -118.56 151.08 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.428 ' HA ' ' CG ' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -104.8 127.7 52.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.67 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.772 HG21 HD13 ' A' ' 82' ' ' LEU . 13.6 mm -111.3 125.9 68.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.136 0.493 . . . . 0.0 111.1 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.517 HG22 ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -96.94 168.1 10.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.583 179.872 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 2.8 p-10 -80.27 59.6 3.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.147 0.499 . . . . 0.0 110.223 179.181 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.566 ' C ' ' H ' ' A' ' 55' ' ' VAL . 10.1 ttt-85 -80.97 0.15 36.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.813 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.439 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 0.4 OUTLIER 71.88 -34.46 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -178.727 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.566 ' H ' ' C ' ' A' ' 53' ' ' ARG . 71.3 t -137.41 135.17 46.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.762 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.698 HG23 ' HB3' ' A' ' 65' ' ' ASP . 51.6 m -125.28 130.38 51.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.021 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.411 ' H ' ' CB ' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -103.74 120.22 40.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.983 0.42 . . . . 0.0 110.804 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.959 HG22 HD11 ' A' ' 68' ' ' LEU . 4.3 mp -107.92 128.43 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.029 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.75 -143.44 8.2 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.427 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.74 ' CG ' HG22 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -112.21 -17.83 12.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.607 0.241 . . . . 0.0 111.264 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.613 ' HB2' HG23 ' A' ' 75' ' ' THR . 0.4 OUTLIER -54.92 159.97 2.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.82 0.343 . . . . 0.0 111.041 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.56 -38.32 29.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -70.0 -21.56 63.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.254 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 21.7 m -53.64 141.28 26.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.094 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.698 ' HB3' HG23 ' A' ' 56' ' ' THR . 62.4 t0 -64.19 -47.93 77.86 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.903 0.382 . . . . 0.0 110.752 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.411 HG23 ' CG2' ' A' ' 56' ' ' THR . 21.5 t -117.83 133.09 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.243 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.7 pt -106.55 122.45 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.959 HD11 HG22 ' A' ' 58' ' ' ILE . 4.1 mp -70.08 -177.13 1.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.71 34.6 4.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.156 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.12 129.6 25.21 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.682 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.07 -13.98 41.8 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.474 2.116 . . . . 0.0 112.69 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -130.84 41.33 3.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.713 0.292 . . . . 0.0 111.14 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.743 ' CD1' HD22 ' A' ' 68' ' ' LEU . 2.4 tp -85.01 148.02 5.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.7 t -58.7 131.1 49.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.98 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.613 HG23 ' HB2' ' A' ' 61' ' ' SER . 74.3 m -64.91 -44.06 90.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.764 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.469 ' O ' ' C ' ' A' ' 77' ' ' HIS . 19.8 m-85 -100.6 13.76 33.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.273 0.558 . . . . 0.0 111.294 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.469 ' C ' ' O ' ' A' ' 76' ' ' PHE . 2.6 t-160 -14.69 -68.29 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.513 -1.221 . . . . 0.0 112.858 -179.51 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.85 ' HB3' ' CE2' ' A' ' 127' ' ' PHE . . . -162.39 164.02 27.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.969 0.414 . . . . 0.0 111.659 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.418 ' HG3' HD13 ' A' ' 98' ' ' ILE . 17.8 pt-20 -120.66 142.49 49.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.52 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.886 ' CE1' HG13 ' A' ' 97' ' ' VAL . 1.0 OUTLIER -119.53 126.23 50.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.871 -179.756 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.439 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 6.9 m-70 -94.84 116.13 28.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.893 0.378 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.772 HD13 HG21 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -106.74 109.91 21.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.788 179.654 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.3 mt -117.67 137.07 52.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.422 ' HG3' HD11 ' A' ' 34' ' ' LEU . 4.0 tt0 -108.86 125.43 51.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -134.52 125.57 27.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -94.26 115.94 28.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.8 m -122.68 122.85 67.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.03 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 61.21 -173.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.728 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -47.65 -29.28 2.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.221 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -97.93 -173.38 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -131.16 142.14 50.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.616 ' NH1' HD21 ' A' ' 94' ' ' LEU . 48.6 ttp85 -117.04 127.5 54.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.763 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.793 ' C ' HD22 ' A' ' 94' ' ' LEU . 3.4 m-80 -111.03 138.98 46.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.038 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.793 HD22 ' C ' ' A' ' 93' ' ' ASN . 3.9 mm? -132.05 138.96 48.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.633 HD13 HD23 ' A' ' 119' ' ' LEU . 2.5 mp -124.9 141.14 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.784 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -113.78 131.49 56.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.986 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.886 HG13 ' CE1' ' A' ' 80' ' ' PHE . 21.6 t -105.56 130.23 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.156 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.544 ' N ' HD12 ' A' ' 98' ' ' ILE . 3.5 mp -128.37 124.92 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.083 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -87.75 121.73 30.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.46 -23.04 53.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.039 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m 67.44 84.83 0.15 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.16 -48.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.797 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -118.22 -39.43 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.079 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 135.0 119.75 1.97 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 26.5 m -126.27 123.62 38.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.438 ' CE2' ' HB3' ' A' ' 111' ' ' ARG . 6.1 m-85 -120.94 137.21 54.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.596 HD12 ' H ' ' A' ' 108' ' ' ASN . 2.8 tp -123.01 137.19 57.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.466 0.651 . . . . 0.0 111.293 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.596 ' H ' HD12 ' A' ' 107' ' ' ILE . 13.8 m120 64.92 28.09 12.69 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.715 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.62 8.9 68.37 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.94 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -134.11 148.07 50.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.831 0.348 . . . . 0.0 110.959 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.438 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 5.5 ptm180 -66.76 130.69 43.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.8 pp -87.16 137.91 31.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.448 HG13 ' N ' ' A' ' 114' ' ' LYS . 12.2 p -121.8 -42.85 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.448 ' N ' HG13 ' A' ' 113' ' ' VAL . 27.1 mtmm -67.23 155.99 37.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -92.59 154.33 18.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.4 t0 60.02 73.19 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.818 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -83.23 137.73 33.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.541 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.0 tp -98.74 118.31 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.294 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.666 HD13 ' HE2' ' A' ' 80' ' ' PHE . 5.4 tt -103.18 135.62 44.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -122.73 171.03 9.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.425 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 4.8 p-10 -59.53 148.05 34.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.993 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 65.99 38.67 94.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.527 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -112.19 141.88 45.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.817 0.342 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.521 ' O ' HD12 ' A' ' 107' ' ' ILE . 8.3 ttm-85 -95.29 127.95 41.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.965 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.561 HD11 HD11 ' A' ' 119' ' ' LEU . 3.3 mp -124.91 138.05 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.1 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.7 t -122.89 123.9 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.85 ' CE2' ' HB3' ' A' ' 78' ' ' ALA . 3.3 m-85 -115.7 112.02 21.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 106.22 -74.04 0.22 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.508 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -178.54 -37.96 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.704 0.287 . . . . 0.0 111.084 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.0 p -115.0 -36.0 4.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.358 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 15.0 m -60.14 107.4 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.93 0.395 . . . . 0.0 111.071 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.7 p -124.19 138.48 54.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.698 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.431 ' N ' ' CD1' ' A' ' 133' ' ' PHE . 2.3 p90 -142.14 156.09 45.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.956 0.408 . . . . 0.0 111.324 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 8.8 tt -117.09 127.37 54.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.579 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.41 ' CZ ' ' HA3' ' A' ' 35' ' ' GLY . 59.1 t80 -99.25 141.59 31.83 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 122.015 0.912 . . . . 0.0 112.025 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt -154.54 146.73 23.76 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 113.732 -1.576 . . . . 0.0 110.677 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.489 ' HE1' HD11 ' A' ' 95' ' ' ILE . 3.7 m-85 -72.59 139.82 47.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.93 0.395 . . . . 0.0 110.908 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.055 -179.95 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 . . . . . 0 CA--C 1.536 0.421 0 N-CA-C 110.632 -0.136 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.464 ' N ' HG22 ' A' ' 51' ' ' THR . 0.1 OUTLIER -140.14 138.82 35.54 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.957 0.408 . . . . 0.0 110.638 179.687 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.0 t -71.9 133.26 45.31 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.021 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.469 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -131.17 -43.05 1.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.914 179.8 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.48 ' C ' HG22 ' A' ' 50' ' ' ILE . . . -154.35 -178.46 28.76 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.511 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.435 ' CD2' ' HB3' ' A' ' 49' ' ' GLU . 22.1 m80 -144.5 154.73 43.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.933 0.396 . . . . 0.0 110.853 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.2 119.42 33.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.723 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.677 HG22 ' HG3' ' A' ' 47' ' ' LYS . 29.9 t -98.58 122.43 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.084 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -88.18 117.67 27.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.817 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.1 mt -84.81 106.77 16.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.777 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.552 HG23 ' HD2' ' A' ' 42' ' ' PRO . 4.2 mt -124.11 141.04 36.13 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.552 ' HD2' HG23 ' A' ' 41' ' ' ILE . 50.5 Cg_endo -72.28 81.07 1.52 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.12 1.88 . . . . 0.0 112.074 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.44 -19.08 1.32 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.39 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.94 169.88 1.94 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.738 0.304 . . . . 0.0 110.58 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -132.79 154.39 50.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 111.197 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -135.92 124.13 23.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.677 ' HG3' HG22 ' A' ' 38' ' ' VAL . 9.0 ttpt -112.97 125.37 54.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.8 t -120.59 137.08 55.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.435 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 0.3 OUTLIER -80.81 141.96 34.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.501 HD11 HG21 ' A' ' 56' ' ' THR . 0.7 OUTLIER -112.61 127.15 69.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.22 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.763 ' O ' HD23 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -96.84 168.13 10.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.924 -179.811 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -92.39 72.37 5.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.385 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.573 ' C ' ' H ' ' A' ' 55' ' ' VAL . 0.5 OUTLIER -99.37 13.59 32.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.681 -179.711 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.491 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 5.8 m-20 68.56 -30.38 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.134 -0.226 . . . . 0.0 110.546 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.573 ' H ' ' C ' ' A' ' 53' ' ' ARG . 58.1 t -137.44 135.13 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-O 121.026 0.441 . . . . 0.0 111.808 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.784 HG23 ' CB ' ' A' ' 65' ' ' ASP . 53.4 m -125.54 130.79 52.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.9 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -105.65 141.34 37.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.087 0.47 . . . . 0.0 111.53 -179.394 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.473 HD13 ' CD1' ' A' ' 80' ' ' PHE . 4.6 mp -132.27 126.2 55.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.011 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.14 -130.08 2.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.977 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.442 ' HB2' ' CG2' ' A' ' 73' ' ' ILE . 0.1 OUTLIER -112.06 -32.34 6.6 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.727 0.299 . . . . 0.0 111.147 -179.647 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.62 ' HB2' HG23 ' A' ' 75' ' ' THR . 0.3 OUTLIER -42.33 147.17 0.27 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.561 -179.489 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.6 ttm-85 -72.93 -32.52 65.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.9 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.91 -16.09 58.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.358 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 11.3 m -53.11 151.05 5.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.74 0.305 . . . . 0.0 111.098 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.784 ' CB ' HG23 ' A' ' 56' ' ' THR . 2.3 m-20 -68.94 -55.87 9.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.003 0.43 . . . . 0.0 110.781 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -124.37 126.26 71.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.351 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.0 pt -98.49 122.55 50.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.925 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.588 HD12 HD11 ' A' ' 73' ' ' ILE . 40.1 mt -84.35 -120.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 2.2 m -56.99 -97.26 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 69' ' ' SER . 6.5 mm-40 154.71 -66.95 0.0 OUTLIER Pre-proline 0 N--CA 1.468 0.438 0 C-N-CA 122.426 0.29 . . . . 0.0 111.077 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 70' ' ' GLU . 41.7 Cg_endo -67.51 -18.93 49.2 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.436 2.091 . . . . 0.0 113.41 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -135.88 25.23 3.35 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.588 HD11 HD12 ' A' ' 68' ' ' LEU . 5.4 tp -104.94 124.74 59.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.077 0.465 . . . . 0.0 111.501 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.418 ' O ' ' HB2' ' A' ' 77' ' ' HIS . 4.8 m -65.99 137.2 56.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.209 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.62 HG23 ' HB2' ' A' ' 61' ' ' SER . 91.1 m -66.43 -39.39 88.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.843 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.421 ' O ' ' C ' ' A' ' 77' ' ' HIS . 6.1 m-85 -97.19 13.89 27.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.191 0.519 . . . . 0.0 111.69 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.447 ' CE1' ' HB3' ' A' ' 127' ' ' PHE . 1.7 t-160 -26.47 -69.01 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.826 -1.079 . . . . 0.0 112.585 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.498 ' HB2' ' CE1' ' A' ' 127' ' ' PHE . . . -155.96 159.39 39.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.191 0.52 . . . . 0.0 112.161 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.41 133.05 50.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.937 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.631 ' CE2' HG22 ' A' ' 97' ' ' VAL . 7.6 m-85 -119.36 128.41 54.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.808 0.337 . . . . 0.0 111.064 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.491 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 50.2 m80 -95.03 116.65 28.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.763 HD23 ' O ' ' A' ' 51' ' ' THR . 27.8 tp -106.12 109.59 21.58 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.943 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.409 HD22 ' C ' ' A' ' 82' ' ' LEU . 3.9 mm? -122.26 140.02 53.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.009 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.39 120.97 39.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.787 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.03 150.51 44.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -107.11 116.53 32.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.558 HG21 ' HD3' ' A' ' 92' ' ' ARG . 6.3 m -113.35 120.61 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.028 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.84 -61.53 0.47 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -166.47 -42.53 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.809 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -68.18 -171.06 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.686 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -126.88 127.89 45.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.999 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.558 ' HD3' HG21 ' A' ' 87' ' ' VAL . 2.5 ttp180 -112.21 121.65 45.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.804 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.502 ' C ' HD12 ' A' ' 94' ' ' LEU . 4.6 m-80 -108.58 130.28 55.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.088 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.502 HD12 ' C ' ' A' ' 93' ' ' ASN . 7.2 mp -132.1 136.67 47.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.571 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.569 ' HB ' HD22 ' A' ' 119' ' ' LEU . 4.2 mp -117.77 140.83 39.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.885 0.374 . . . . 0.0 111.372 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -114.66 124.52 52.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.638 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.631 HG22 ' CE2' ' A' ' 80' ' ' PHE . 13.9 t -96.6 135.28 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.929 0.395 . . . . 0.0 111.606 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.469 HD11 ' CE1' ' A' ' 81' ' ' HIS . 11.9 mt -121.82 120.76 62.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.605 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.64 117.72 35.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.05 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -147.58 53.74 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.819 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -139.5 173.77 11.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.62 -23.64 9.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.41 -34.43 48.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.72 0.295 . . . . 0.0 111.493 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 113.82 126.18 4.34 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.556 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.469 ' CG2' ' CE1' ' A' ' 127' ' ' PHE . 66.5 m -132.08 123.16 26.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.777 0.322 . . . . 0.0 110.836 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.426 ' CE2' ' HB3' ' A' ' 111' ' ' ARG . 61.7 m-85 -121.16 124.15 44.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.726 HG21 HD12 ' A' ' 112' ' ' LEU . 0.7 OUTLIER -122.99 137.07 57.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.441 0.638 . . . . 0.0 111.211 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.456 ' N ' HG13 ' A' ' 107' ' ' ILE . 51.4 m-20 60.04 28.42 17.96 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.669 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.67 13.05 74.63 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.9 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -131.57 137.64 48.53 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.866 0.365 . . . . 0.0 110.542 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.426 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -65.28 132.42 49.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.726 HD12 HG21 ' A' ' 107' ' ' ILE . 2.3 tt -89.11 133.88 34.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.981 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.416 HG23 ' N ' ' A' ' 114' ' ' LYS . 5.7 m -138.24 -46.77 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.416 ' N ' HG23 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -59.62 158.8 9.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.985 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.75 158.08 15.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 38.4 t70 59.67 64.06 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -84.07 138.4 33.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.075 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.485 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.3 tp -98.66 121.78 49.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.569 HD22 ' HB ' ' A' ' 95' ' ' ILE . 6.4 tt -103.15 136.83 42.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.171 0.51 . . . . 0.0 111.8 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -118.68 155.77 30.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.357 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.603 ' HB2' ' CE2' ' A' ' 137' ' ' TYR . 1.7 m-80 -77.09 148.23 36.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.152 0.501 . . . . 0.0 111.542 -178.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 87.63 37.56 7.98 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.476 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.71 ' O ' HD22 ' A' ' 134' ' ' LEU . 0.8 OUTLIER -132.54 164.14 27.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.951 0.405 . . . . 0.0 111.269 -179.491 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -100.91 127.12 47.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.956 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.426 ' HB ' ' CZ ' ' A' ' 133' ' ' PHE . 3.1 mp -118.4 121.93 68.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 20.5 t -111.56 123.92 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.305 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.498 ' CE1' ' HB2' ' A' ' 78' ' ' ALA . 9.8 m-85 -121.09 132.24 54.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.817 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 92.72 -69.96 1.65 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.275 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.2 -34.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.628 0.251 . . . . 0.0 111.311 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 79.1 p -120.77 -38.15 2.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.668 0.27 . . . . 0.0 111.642 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 28.7 m -53.04 105.09 0.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.979 0.419 . . . . 0.0 111.247 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 59.9 p -124.39 135.07 53.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.445 ' N ' ' CD1' ' A' ' 133' ' ' PHE . 2.4 p90 -142.16 156.07 45.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.913 0.387 . . . . 0.0 111.19 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.71 HD22 ' O ' ' A' ' 123' ' ' ASP . 0.3 OUTLIER -114.96 112.88 23.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.583 179.542 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.483 ' HD2' HD21 ' A' ' 119' ' ' LEU . 22.2 t80 -91.85 140.96 29.17 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 121.637 0.732 . . . . 0.0 111.035 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.51 ' HE2' HD12 ' A' ' 134' ' ' LEU . 10.5 mtmt -154.93 157.88 38.42 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.0 -1.454 . . . . 0.0 111.279 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.603 ' CE2' ' HB2' ' A' ' 121' ' ' ASN . 57.2 m-85 -76.28 140.87 41.73 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.187 0.517 . . . . 0.0 110.349 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.778 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.142 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.4 ' HB2' ' CG2' ' A' ' 51' ' ' THR . 5.0 m-85 . . . . . 0 CA--C 1.536 0.436 0 N-CA-C 110.544 -0.169 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.404 ' N ' HG22 ' A' ' 51' ' ' THR . 0.1 OUTLIER -140.26 128.94 23.03 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.825 0.345 . . . . 0.0 110.591 179.77 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.68 145.06 53.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.444 HD21 ' OD1' ' A' ' 93' ' ' ASN . 9.8 tp -150.81 -46.87 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.834 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.772 ' C ' HG22 ' A' ' 50' ' ' ILE . . . -139.05 -179.11 17.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.393 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.67 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 50.1 m80 -145.04 163.06 35.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.902 0.382 . . . . 0.0 111.02 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.567 HD11 ' HB ' ' A' ' 50' ' ' ILE . 3.1 mp -127.13 111.47 14.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.738 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.7 t -95.89 121.77 46.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.993 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -90.09 124.86 35.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -80.65 106.64 12.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.804 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.811 HD12 ' O ' ' A' ' 44' ' ' LYS . 2.7 mt -124.15 139.8 33.49 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.795 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.567 ' HD2' HG22 ' A' ' 41' ' ' ILE . 73.7 Cg_endo -76.44 -3.65 14.07 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.358 2.039 . . . . 0.0 112.66 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -113.78 -28.82 3.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.435 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.811 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER 176.06 120.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.729 0.299 . . . . 0.0 110.777 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -71.51 154.65 41.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.022 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -129.06 141.16 51.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.773 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -113.13 129.46 56.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.014 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.6 t -122.64 140.9 45.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.939 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.18 137.5 33.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.914 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.772 HG22 ' C ' ' A' ' 35' ' ' GLY . 1.3 tt -116.12 132.14 66.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.404 HG22 ' N ' ' A' ' 32' ' ' THR . 0.5 OUTLIER -100.9 166.9 10.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.047 -179.7 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.09 69.2 10.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.018 0.437 . . . . 0.0 110.47 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.587 ' C ' ' H ' ' A' ' 55' ' ' VAL . 18.1 ttt180 -87.08 8.38 23.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.831 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.479 ' HB2' ' O ' ' A' ' 53' ' ' ARG . 13.9 m-80 69.23 -36.79 0.35 Allowed 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 -178.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.587 ' H ' ' C ' ' A' ' 53' ' ' ARG . 78.8 t -137.47 135.35 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.263 179.16 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.751 HG23 ' CB ' ' A' ' 65' ' ' ASP . 96.2 m -125.26 130.11 51.39 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.496 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.415 ' N ' ' HB2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.97 138.71 40.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.864 0.364 . . . . 0.0 111.051 -179.814 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.595 HD12 ' N ' ' A' ' 58' ' ' ILE . 3.8 mp -124.22 119.41 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.68 -132.95 2.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.392 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.553 ' CD ' HG22 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -119.98 -21.14 7.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.644 0.259 . . . . 0.0 111.432 -179.855 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.52 154.9 0.85 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.871 0.367 . . . . 0.0 111.154 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -73.97 -42.34 60.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.967 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.3 m -69.95 -17.89 63.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.212 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 21.8 m -55.73 161.82 1.99 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.957 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.751 ' CB ' HG23 ' A' ' 56' ' ' THR . 0.9 OUTLIER -82.63 -66.63 0.87 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.026 0.441 . . . . 0.0 110.886 179.787 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.2 t -101.7 104.18 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.07 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.405 ' O ' HD12 ' A' ' 67' ' ' ILE . 1.9 pp -92.04 116.87 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.25 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.618 HD13 HD11 ' A' ' 73' ' ' ILE . 0.6 OUTLIER -87.74 164.95 15.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 179.845 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.4 t -104.7 65.36 0.75 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -125.8 133.85 25.31 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.05 -16.14 48.54 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.513 2.142 . . . . 0.0 112.547 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -125.02 27.35 6.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.71 0.29 . . . . 0.0 111.258 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.618 HD11 HD13 ' A' ' 68' ' ' LEU . 2.5 tp -76.26 124.05 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.367 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.0 m -62.29 132.14 51.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.281 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.6 m -67.5 -43.62 80.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.719 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 77' ' ' HIS . 0.2 OUTLIER -97.49 13.79 28.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.235 179.768 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -20.09 -71.99 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.599 -1.182 . . . . 0.0 112.805 -179.351 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . . . -155.7 164.03 39.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.15 0.5 . . . . 0.0 112.063 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -129.45 133.3 47.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.218 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.674 ' CE2' HG22 ' A' ' 97' ' ' VAL . 7.1 m-85 -119.43 131.07 55.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.037 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.433 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 11.0 m-70 -94.83 116.39 28.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.922 0.392 . . . . 0.0 111.129 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.57 109.55 21.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.746 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.07 140.05 52.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.105 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -103.91 138.29 40.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.5 ttt -155.01 137.65 15.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.962 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -107.0 139.95 40.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.96 139.08 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.3 t0 69.7 -65.33 0.31 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 2.3 t30 179.34 38.18 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.401 ' CG ' ' O ' ' A' ' 89' ' ' ASN . 78.6 m-85 -157.7 158.82 36.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.806 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -99.88 127.97 46.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -112.94 150.53 31.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.748 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.444 ' OD1' HD21 ' A' ' 34' ' ' LEU . 36.4 m-20 -114.06 120.02 39.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.043 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.0 mt -115.04 125.59 53.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.57 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.614 ' N ' HD12 ' A' ' 95' ' ' ILE . 2.8 mp -118.62 141.06 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.23 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.94 144.22 43.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.766 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.674 HG22 ' CE2' ' A' ' 80' ' ' PHE . 20.9 t -112.82 123.42 68.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.165 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.67 HG23 ' HE3' ' A' ' 115' ' ' LYS . 4.1 mp -130.04 121.21 51.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.469 ' HB2' HD13 ' A' ' 112' ' ' LEU . 0.3 OUTLIER -111.25 126.56 55.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -94.21 3.73 54.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.431 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.4 m 58.81 92.62 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.76 0.314 . . . . 0.0 111.008 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 14.1 mmt-85 -121.74 -71.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.762 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -112.4 -34.93 5.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 145.57 116.23 1.01 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.555 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.432 ' CG2' ' CE1' ' A' ' 127' ' ' PHE . 1.0 OUTLIER -131.99 130.56 41.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.341 . . . . 0.0 110.91 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -119.77 136.39 54.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.451 HG21 ' HG ' ' A' ' 112' ' ' LEU . 3.1 tp -122.1 137.19 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.451 0.643 . . . . 0.0 111.217 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.429 ' H ' HD12 ' A' ' 107' ' ' ILE . 56.5 m-20 59.87 29.61 19.17 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.681 -179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.7 13.1 74.79 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.836 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -134.15 151.97 51.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.769 0.319 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 129.88 41.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.469 HD13 ' HB2' ' A' ' 99' ' ' ASP . 1.2 tt -75.87 125.91 29.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.582 ' O ' HG22 ' A' ' 113' ' ' VAL . 10.3 p -143.87 51.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.087 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -165.13 148.92 8.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.67 ' HE3' HG23 ' A' ' 98' ' ' ILE . 1.6 tpmp? -97.08 151.97 19.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 34.9 t0 62.83 58.51 1.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.08 137.79 33.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.731 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.546 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.6 tp -98.66 118.03 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.34 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.538 ' C ' HD23 ' A' ' 119' ' ' LEU . 9.4 tt -103.1 134.63 46.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.466 ' N ' HD23 ' A' ' 119' ' ' LEU . 3.4 tptt -125.77 178.15 5.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.821 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.428 ' HB2' ' CE2' ' A' ' 137' ' ' TYR . 9.1 t30 -53.67 143.67 19.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.52 51.37 26.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.459 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.12 120.84 40.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.829 0.347 . . . . 0.0 111.057 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.598 ' HG2' HD12 ' A' ' 134' ' ' LEU . 1.4 mmt85 -91.85 125.74 36.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.745 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.471 HD11 HD11 ' A' ' 119' ' ' LEU . 2.2 mp -126.65 137.87 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.325 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 28.7 t -120.0 127.58 75.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 78' ' ' ALA . 3.3 m-85 -114.56 137.61 51.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.118 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 80.99 -67.49 3.59 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.446 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.6 -34.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.762 0.315 . . . . 0.0 111.044 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.31 -42.03 3.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.271 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 51.8 m -54.16 106.03 0.18 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.928 0.394 . . . . 0.0 111.102 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.3 m -124.2 128.67 49.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.78 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.438 ' CE1' ' HB ' ' A' ' 125' ' ' ILE . 12.2 p90 -141.98 155.86 45.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.087 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.598 HD12 ' HG2' ' A' ' 124' ' ' ARG . 10.1 tt -118.55 139.4 51.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.765 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.499 ' HE2' HG21 ' A' ' 50' ' ' ILE . 21.5 t80 -100.45 141.51 33.2 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 122.023 0.916 . . . . 0.0 111.769 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -154.63 159.74 41.0 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 113.807 -1.542 . . . . 0.0 110.906 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.442 ' CE1' ' HB2' ' A' ' 93' ' ' ASN . 4.4 m-85 -86.11 139.99 30.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.995 0.426 . . . . 0.0 110.634 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.67 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . . . . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.262 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 . . . . . 0 CA--C 1.535 0.368 0 CA-C-O 120.273 0.082 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.493 ' C ' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.51 128.68 22.28 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-O 120.725 0.298 . . . . 0.0 110.633 179.66 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.6 t -76.47 128.37 34.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.84 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 tt -144.9 -44.73 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.192 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.696 ' C ' HG22 ' A' ' 50' ' ' ILE . . . -126.97 173.03 18.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.648 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.434 ' CD2' ' HA ' ' A' ' 49' ' ' GLU . 50.8 m80 -145.47 163.23 35.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mt -124.76 126.31 45.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.799 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.7 t -108.9 123.57 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.099 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -89.92 120.18 30.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.752 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.659 ' O ' HD13 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -86.5 106.94 17.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 -179.874 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.659 HD13 ' O ' ' A' ' 40' ' ' LEU . 9.1 mm -124.15 141.3 36.89 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.53 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.553 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 45.7 Cg_endo -70.97 -3.87 13.68 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.183 1.922 . . . . 0.0 112.895 -179.468 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -114.71 -9.3 14.45 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.589 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.23 -175.26 0.06 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.757 0.313 . . . . 0.0 110.801 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -137.56 136.22 37.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.843 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -120.96 135.69 55.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.97 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -113.09 130.98 55.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.8 t -120.55 149.76 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.434 ' HA ' ' CD2' ' A' ' 36' ' ' HIS . 1.5 pt-20 -101.77 132.37 47.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.691 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.696 HG22 ' C ' ' A' ' 35' ' ' GLY . 2.7 tt -115.34 132.08 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.122 0.486 . . . . 0.0 111.359 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.792 ' O ' HD23 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -99.8 168.02 10.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.988 -179.621 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -80.92 62.03 4.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.097 0.475 . . . . 0.0 110.114 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.549 ' C ' ' H ' ' A' ' 55' ' ' VAL . 9.0 ttt85 -80.16 1.47 28.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.158 -179.339 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.411 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 10.0 t-20 71.9 -36.3 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -178.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.549 ' H ' ' C ' ' A' ' 53' ' ' ARG . 74.8 t -137.28 139.15 44.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.781 179.359 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.693 HG23 ' HB3' ' A' ' 65' ' ' ASP . 53.7 m -125.27 125.18 43.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.165 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.2 OUTLIER -103.83 120.41 40.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.94 0.4 . . . . 0.0 110.831 -179.849 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.89 HG22 HD11 ' A' ' 68' ' ' LEU . 6.8 mt -109.33 122.17 63.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.077 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.44 -154.55 20.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.484 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.427 ' CG ' HG22 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -93.36 -26.58 17.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.666 0.27 . . . . 0.0 110.983 -179.904 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.702 ' HB2' HG23 ' A' ' 75' ' ' THR . 3.2 t -51.29 150.8 3.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.07 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -75.89 -33.49 59.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.1 m -69.79 -20.58 63.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.048 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 3.4 m -53.17 135.29 38.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.058 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.693 ' HB3' HG23 ' A' ' 56' ' ' THR . 8.4 t70 -58.19 -41.01 82.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.062 0.458 . . . . 0.0 110.615 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.8 t -124.86 111.9 29.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.587 ' H ' HD12 ' A' ' 67' ' ' ILE . 3.1 mp -92.88 118.53 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.15 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.89 HD11 HG22 ' A' ' 58' ' ' ILE . 4.9 mp -72.17 -176.06 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 m -112.24 27.29 9.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.265 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.417 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 0.2 OUTLIER -105.36 120.36 49.83 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.58 179.688 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -57.68 -16.17 23.7 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.506 2.137 . . . . 0.0 112.865 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -133.48 37.2 3.34 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.583 0.23 . . . . 0.0 111.591 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.88 HG12 HD13 ' A' ' 68' ' ' LEU . 3.6 tp -75.99 146.56 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.308 . . . . 0.0 110.838 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.09 130.51 46.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.234 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.702 HG23 ' HB2' ' A' ' 61' ' ' SER . 60.4 m -68.39 -44.07 75.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.633 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 77' ' ' HIS . 49.6 m-85 -100.66 13.89 33.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.162 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.5 ' CD2' ' CD2' ' A' ' 127' ' ' PHE . 2.7 t60 -21.96 -67.48 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.584 -1.189 . . . . 0.0 112.656 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . . . -156.28 161.92 40.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.965 0.412 . . . . 0.0 111.774 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -128.67 133.99 48.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.496 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.837 ' CE2' HG22 ' A' ' 97' ' ' VAL . 7.6 m-85 -119.54 127.28 52.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.857 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.411 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 11.1 m170 -94.86 116.47 28.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.902 0.382 . . . . 0.0 111.364 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.792 HD23 ' O ' ' A' ' 51' ' ' THR . 22.8 tp -106.62 109.66 21.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.572 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.482 HD23 ' N ' ' A' ' 84' ' ' GLN . 1.3 tt -122.14 140.07 52.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.482 ' N ' HD23 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -100.5 121.0 40.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.74 179.879 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.2 138.57 51.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -103.38 115.9 31.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.517 HG12 ' HG2' ' A' ' 92' ' ' ARG . 11.3 p -140.0 127.17 23.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.033 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 65.64 -171.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.765 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.83 -57.4 5.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.285 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -84.87 -176.46 6.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -128.23 143.28 51.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.517 ' HG2' HG12 ' A' ' 87' ' ' VAL . 5.1 ptp180 -117.03 146.0 43.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.956 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -113.95 126.6 55.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 11.7 mt -108.39 135.79 49.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' ' 95' ' ' ILE . 4.1 mp -121.36 136.78 57.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.152 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.5 144.11 43.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.734 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.837 HG22 ' CE2' ' A' ' 80' ' ' PHE . 21.8 t -110.05 129.73 64.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.255 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.9 mm -126.25 130.46 72.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.059 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -130.24 130.35 44.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.45 9.48 37.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.399 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 m 59.11 109.55 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.855 0.359 . . . . 0.0 111.074 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.28 -47.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.805 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -127.24 -43.62 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.177 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 145.17 110.91 0.7 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.436 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.78 123.56 41.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.34 . . . . 0.0 111.039 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -120.98 137.44 54.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.544 HD12 ' O ' ' A' ' 124' ' ' ARG . 3.2 tp -122.93 137.19 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.451 0.643 . . . . 0.0 111.374 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.519 ' H ' HD12 ' A' ' 107' ' ' ILE . 13.7 m120 64.35 27.46 13.7 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.794 -179.495 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.67 10.77 72.09 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.975 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -134.06 150.7 51.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.785 0.326 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.93 136.45 54.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.459 ' O ' HD12 ' A' ' 112' ' ' LEU . 4.4 pp -77.37 141.72 39.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.974 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.481 HG13 ' N ' ' A' ' 114' ' ' LYS . 11.1 p -128.5 -44.91 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.098 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.481 ' N ' HG13 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -78.44 158.01 28.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -94.22 153.22 18.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.978 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.6 t70 60.1 75.32 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -84.07 139.16 32.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.534 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.2 tp -98.55 119.26 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.205 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.753 HD11 HD11 ' A' ' 125' ' ' ILE . 10.5 tt -103.02 139.48 38.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.017 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.419 ' N ' HD23 ' A' ' 119' ' ' LEU . 8.9 mtpt -135.05 178.07 7.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.809 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 8.2 p-10 -57.04 140.52 48.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 74.71 37.45 45.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.398 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.64 129.0 56.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.727 0.298 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.698 ' HG3' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -101.65 129.56 47.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.753 HD11 HD11 ' A' ' 119' ' ' LEU . 2.0 mp -124.09 136.28 60.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.013 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.565 HG22 ' OG ' ' A' ' 132' ' ' SER . 38.0 t -115.04 128.51 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.133 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.533 ' CZ ' ' HB3' ' A' ' 78' ' ' ALA . 2.8 m-85 -110.37 140.32 44.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 72.35 -64.67 1.35 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.436 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 170.26 -35.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.753 0.311 . . . . 0.0 110.951 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.3 -42.8 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.511 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 71.8 m -55.55 107.09 0.29 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.148 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.565 ' OG ' HG22 ' A' ' 126' ' ' VAL . 4.3 m -124.23 128.86 49.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.822 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.433 ' CE2' ' HB ' ' A' ' 125' ' ' ILE . 16.4 p90 -142.0 156.1 45.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.917 0.389 . . . . 0.0 111.065 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.698 HD12 ' HG3' ' A' ' 124' ' ' ARG . 6.0 tt -120.56 138.93 53.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.746 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.444 ' HE1' HG21 ' A' ' 50' ' ' ILE . 81.9 t80 -103.45 141.71 35.51 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 121.979 0.895 . . . . 0.0 111.849 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -154.27 147.43 24.74 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 113.848 -1.523 . . . . 0.0 110.701 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.469 ' N ' ' CD1' ' A' ' 137' ' ' TYR . 0.5 OUTLIER -78.64 139.48 38.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.919 0.39 . . . . 0.0 110.841 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.087 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.406 ' N ' HG21 ' A' ' 51' ' ' THR . 4.2 m-85 . . . . . 0 CA--C 1.534 0.361 0 CA-C-O 120.384 0.135 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.553 ' N ' HG22 ' A' ' 51' ' ' THR . 0.0 OUTLIER -140.41 130.24 24.52 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.755 0.312 . . . . 0.0 110.488 179.752 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.89 144.97 47.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.088 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.597 ' O ' HD13 ' A' ' 34' ' ' LEU . 1.2 tm? -150.1 -46.1 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.775 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.714 ' C ' HG22 ' A' ' 50' ' ' ILE . . . -149.99 -175.77 22.47 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.366 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -147.15 162.41 38.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.897 0.38 . . . . 0.0 111.072 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.5 mp -126.9 124.68 40.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.638 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.56 121.96 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.073 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -89.43 113.96 25.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -77.7 106.83 9.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.414 HG22 ' HD2' ' A' ' 42' ' ' PRO . 8.0 mt -124.08 138.96 31.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.962 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.414 ' HD2' HG22 ' A' ' 41' ' ' ILE . 52.4 Cg_exo -52.59 -25.73 26.81 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.489 2.126 . . . . 0.0 112.523 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.25 -29.74 18.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.563 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.24 -167.79 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.48 129.83 50.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.971 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.32 127.67 49.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.63 130.25 46.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.034 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 37.6 t -122.45 149.52 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -101.93 135.5 43.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.958 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.714 HG22 ' C ' ' A' ' 35' ' ' GLY . 1.8 tt -116.13 132.06 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.167 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.553 HG22 ' N ' ' A' ' 32' ' ' THR . 0.4 OUTLIER -101.62 168.05 9.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.994 -179.717 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -92.45 66.8 4.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.148 0.499 . . . . 0.0 110.332 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.574 ' C ' ' H ' ' A' ' 55' ' ' VAL . 14.8 ttt85 -85.37 7.58 21.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.996 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.432 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 1.0 OUTLIER 71.73 -38.4 0.42 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 -178.684 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.574 ' H ' ' C ' ' A' ' 53' ' ' ARG . 77.7 t -137.35 135.2 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.255 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.777 HG23 ' CB ' ' A' ' 65' ' ' ASP . 97.2 m -125.2 131.33 53.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.449 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.41 ' N ' ' HB2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.88 137.32 42.05 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.935 0.398 . . . . 0.0 110.875 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.656 HG22 HD11 ' A' ' 68' ' ' LEU . 26.9 mt -121.59 119.07 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.15 -140.67 6.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.295 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.615 ' HD2' HG22 ' A' ' 73' ' ' ILE . 8.5 ttt-85 -113.1 -21.21 11.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.67 0.271 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.6 152.21 0.72 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.9 0.381 . . . . 0.0 111.304 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.35 -40.34 67.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.6 t -72.1 -19.56 61.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.367 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 18.0 m -54.85 160.02 2.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.726 0.298 . . . . 0.0 111.004 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.777 ' CB ' HG23 ' A' ' 56' ' ' THR . 1.0 OUTLIER -80.7 -66.07 0.93 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.01 0.433 . . . . 0.0 110.845 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.6 t -97.6 108.44 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.181 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.7 pt -91.92 104.9 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.045 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.733 HD13 HG12 ' A' ' 73' ' ' ILE . 4.3 mp -72.37 -176.79 1.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.42 37.23 4.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.95 124.24 44.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.701 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -56.0 -18.62 23.2 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.475 2.117 . . . . 0.0 112.713 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -127.77 33.31 4.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.694 0.283 . . . . 0.0 111.215 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.733 HG12 HD13 ' A' ' 68' ' ' LEU . 4.2 tp -76.15 125.31 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 111.065 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.42 ' HB3' ' CG ' ' A' ' 77' ' ' HIS . 26.5 t -57.06 131.99 51.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.3 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.6 m -63.07 -44.02 96.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.732 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.461 ' O ' ' C ' ' A' ' 77' ' ' HIS . 7.5 m-85 -103.95 13.81 31.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.3 0.571 . . . . 0.0 111.263 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' A' ' 76' ' ' PHE . 1.8 t-160 -16.03 -68.38 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.548 -1.205 . . . . 0.0 112.909 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.55 160.24 42.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.092 0.472 . . . . 0.0 112.058 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -125.61 133.63 52.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.132 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.617 ' CE2' HG22 ' A' ' 97' ' ' VAL . 7.2 m-85 -119.43 131.03 55.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.786 0.326 . . . . 0.0 111.107 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.432 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 7.8 m-70 -94.99 116.29 28.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.905 0.383 . . . . 0.0 110.971 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.414 HD13 HG12 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -106.67 109.7 21.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.765 179.723 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.05 140.01 53.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.068 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -108.61 120.96 43.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.766 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -128.55 127.31 42.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -107.04 123.32 48.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.01 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.0 t -121.58 135.65 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.971 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 70.1 -61.76 0.45 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -171.4 -41.59 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.813 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -65.92 -172.87 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.768 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.28 127.83 50.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -117.04 117.4 29.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -113.81 130.97 56.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.068 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.441 HD21 ' NZ ' ' A' ' 120' ' ' LYS . 1.8 mt -122.99 136.33 54.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.681 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.526 ' N ' HD12 ' A' ' 95' ' ' ILE . 3.9 mp -118.65 134.9 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.148 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.15 140.63 48.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.739 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.617 HG22 ' CE2' ' A' ' 80' ' ' PHE . 18.5 t -105.16 134.92 45.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.215 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.497 HD13 ' O ' ' A' ' 97' ' ' VAL . 28.1 mm -129.05 121.11 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.061 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -111.04 128.79 55.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.46 35.2 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.3 m -116.75 -178.18 3.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.82 79.81 1.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -153.83 -59.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.26 107.77 0.59 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.467 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.528 HG23 ' CE1' ' A' ' 127' ' ' PHE . 90.2 m -115.09 127.22 55.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 110.987 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -121.04 115.04 22.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.762 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.506 HG21 HD12 ' A' ' 112' ' ' LEU . 2.7 tp -116.01 137.23 50.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.468 0.651 . . . . 0.0 111.401 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.8 m120 61.58 27.04 16.61 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.69 11.83 73.47 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.881 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -134.08 151.95 51.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.834 0.35 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 -71.95 136.76 46.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.506 HD12 HG21 ' A' ' 107' ' ' ILE . 2.6 tt -78.21 130.7 36.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 114' ' ' LYS . 11.0 p -121.29 -44.99 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.486 ' N ' HG13 ' A' ' 113' ' ' VAL . 15.0 tttt -93.01 143.63 26.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.84 167.51 20.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.998 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.2 t70 60.69 64.44 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -83.92 138.79 32.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.476 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.1 tp -98.68 120.73 48.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.98 0.419 . . . . 0.0 111.278 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.892 HD11 HD11 ' A' ' 125' ' ' ILE . 9.0 tt -103.09 132.92 48.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.0 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.441 ' NZ ' HD21 ' A' ' 94' ' ' LEU . 6.4 mtpp -130.1 178.19 6.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.841 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.456 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 6.1 p30 -52.29 146.58 9.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 64.57 44.79 94.59 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.363 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.19 118.6 32.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 111.067 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.11 123.91 34.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.671 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.892 HD11 HD11 ' A' ' 119' ' ' LEU . 2.5 mp -114.87 131.35 67.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.286 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 25.9 t -119.7 132.48 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.528 ' CE1' HG23 ' A' ' 105' ' ' THR . 35.7 m-85 -128.79 139.26 52.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.051 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 86.84 -69.35 3.1 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.337 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 9.8 pttp 170.19 -33.41 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.728 0.299 . . . . 0.0 110.989 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.9 p -112.38 -39.17 4.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.456 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 23.9 m -54.79 104.25 0.11 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.899 0.38 . . . . 0.0 111.233 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 58.0 m -124.59 123.82 40.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.816 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -142.1 156.32 45.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.095 0.474 . . . . 0.0 111.305 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 5.7 tp -114.3 136.97 52.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.651 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.434 ' HE2' HG21 ' A' ' 50' ' ' ILE . 28.4 t80 -104.14 141.66 35.85 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.988 0.899 . . . . 0.0 111.907 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -154.3 157.57 38.86 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 113.81 -1.541 . . . . 0.0 110.709 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 121' ' ' ASN . 4.6 m-85 -84.77 139.95 31.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.015 0.436 . . . . 0.0 110.756 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.052 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 . . . . . 0 CA--C 1.535 0.373 0 N-CA-C 110.713 -0.106 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.484 ' N ' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.28 136.16 33.01 Favored 'General case' 0 C--N 1.334 -0.067 0 CA-C-O 120.802 0.334 . . . . 0.0 110.579 179.568 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.81 144.7 47.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.094 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.434 HD11 ' HG3' ' A' ' 84' ' ' GLN . 0.9 OUTLIER -147.5 -46.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.813 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.68 ' C ' HG22 ' A' ' 50' ' ' ILE . . . -149.66 -173.29 19.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.361 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.563 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 55.2 m80 -147.08 162.85 37.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.023 0.439 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.548 HD13 HG21 ' A' ' 66' ' ' VAL . 3.8 mt -127.01 110.53 13.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.634 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -96.37 121.84 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.327 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -90.14 115.54 27.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 40' ' ' LEU . 4.7 mp -95.0 106.85 18.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.799 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.4 mt -124.15 139.23 32.25 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.015 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.84 89.6 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.463 2.109 . . . . 0.0 112.247 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.2 51.92 1.82 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 175.02 -176.79 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.867 0.365 . . . . 0.0 110.839 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -175.95 136.43 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -139.65 127.85 22.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -113.0 127.69 56.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.2 t -120.15 151.03 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.216 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -101.57 134.47 44.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.68 HG22 ' C ' ' A' ' 35' ' ' GLY . 8.4 tt -116.07 132.04 66.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.306 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.484 HG22 ' N ' ' A' ' 32' ' ' THR . 0.2 OUTLIER -98.22 165.18 12.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.981 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -77.61 64.64 2.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.079 0.466 . . . . 0.0 110.298 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.551 ' C ' ' H ' ' A' ' 55' ' ' VAL . 11.7 ttt-85 -81.89 2.54 30.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.097 -179.469 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.428 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 4.0 m120 71.37 -38.0 0.41 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.551 ' H ' ' C ' ' A' ' 53' ' ' ARG . 74.9 t -137.27 137.22 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.775 179.265 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.77 HG23 ' CB ' ' A' ' 65' ' ' ASP . 86.9 m -125.23 130.05 51.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.146 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.83 140.73 37.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.932 0.396 . . . . 0.0 111.322 -179.618 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.904 HG22 HD11 ' A' ' 68' ' ' LEU . 4.5 mp -132.38 130.56 60.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.3 -121.18 0.97 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.14 -1.028 . . . . 0.0 113.372 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.459 ' HG3' HG22 ' A' ' 73' ' ' ILE . 1.4 ttt-85 -119.77 -43.9 2.55 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.736 0.303 . . . . 0.0 111.367 -179.191 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 t -41.88 150.29 0.12 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.549 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.99 -30.73 58.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.934 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.9 m -69.91 -20.68 63.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 34.6 m -57.92 158.39 6.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.789 0.328 . . . . 0.0 110.862 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.77 ' CB ' HG23 ' A' ' 56' ' ' THR . 0.8 OUTLIER -73.28 -57.84 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 111.195 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.548 HG21 HD13 ' A' ' 37' ' ' LEU . 25.4 t -124.32 133.05 70.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.841 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 16.6 pt -99.66 128.21 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.597 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.904 HD11 HG22 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -86.7 -79.47 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.187 -179.596 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 9.1 t -102.35 -104.15 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.51 ' CB ' ' CD ' ' A' ' 71' ' ' PRO . 0.0 OUTLIER 167.72 -68.44 0.0 OUTLIER Pre-proline 0 CA--C 1.531 0.222 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 179.441 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 70' ' ' GLU . 43.4 Cg_endo -67.62 -40.2 10.61 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.42 2.08 . . . . 0.0 113.81 -178.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -118.98 34.3 5.28 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.459 HG22 ' HG3' ' A' ' 60' ' ' ARG . 4.7 tp -110.99 126.21 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.955 0.407 . . . . 0.0 111.184 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 m -59.06 132.35 53.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.155 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.93 -31.51 72.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 77' ' ' HIS . 7.8 m-85 -111.99 13.81 20.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.318 0.58 . . . . 0.0 111.285 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 76' ' ' PHE . 3.8 t-80 -18.23 -70.77 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.451 -1.249 . . . . 0.0 113.224 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.629 ' HB3' ' CE2' ' A' ' 127' ' ' PHE . . . -155.26 164.12 39.22 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.112 0.482 . . . . 0.0 112.07 -179.241 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -131.83 137.6 48.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.384 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.528 ' CE1' HG13 ' A' ' 97' ' ' VAL . 44.6 m-85 -119.37 129.03 54.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.852 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.428 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 7.3 m-70 -94.98 116.05 28.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.857 0.36 . . . . 0.0 111.068 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 82' ' ' LEU . 11.7 tp -106.76 109.73 21.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.755 179.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.482 HD21 ' HG3' ' A' ' 85' ' ' MET . 6.2 tt -121.41 140.11 52.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.138 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.472 ' N ' HD23 ' A' ' 83' ' ' LEU . 2.8 tm0? -127.91 120.97 28.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.82 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.482 ' HG3' HD21 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -134.46 142.03 46.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.81 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -99.68 115.96 30.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.0 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.0 m -113.23 119.26 60.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 t70 77.16 -54.22 0.55 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.061 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -175.55 -39.53 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.825 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -79.98 158.29 26.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.852 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -101.18 131.92 46.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -111.39 128.31 55.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -113.58 129.14 56.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.593 HD22 HD11 ' A' ' 118' ' ' ILE . 8.0 mt -131.22 137.93 49.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.403 ' CD1' ' CE1' ' A' ' 135' ' ' PHE . 4.0 mp -120.39 139.46 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.071 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.95 134.57 55.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.528 HG13 ' CE1' ' A' ' 80' ' ' PHE . 20.7 t -99.95 122.73 52.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.24 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 9.2 mt -130.05 120.92 50.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.797 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -109.47 129.31 55.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.011 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.1 -9.29 59.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.328 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.7 m 66.92 98.63 0.05 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.806 0.336 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.19 -55.51 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -110.29 -38.96 5.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 124.27 107.87 1.77 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.512 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.9 m -107.06 126.28 52.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.36 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -112.18 126.59 55.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.499 ' CG2' HD13 ' A' ' 112' ' ' LEU . 2.9 tp -114.94 137.38 48.61 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-O 121.482 0.658 . . . . 0.0 111.298 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.7 m120 62.77 27.54 16.11 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.58 11.67 72.83 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.945 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -134.06 151.95 51.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.787 0.327 . . . . 0.0 110.844 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.26 130.07 40.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.853 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.499 HD13 ' CG2' ' A' ' 107' ' ' ILE . 6.0 tp -100.05 142.06 32.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.62 ' O ' HG22 ' A' ' 113' ' ' VAL . 14.5 p -128.38 30.96 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.01 176.77 4.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -119.03 -40.79 2.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.11 69.48 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.952 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.454 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 10.7 t80 -84.17 139.34 32.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.79 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.593 HD11 HD22 ' A' ' 94' ' ' LEU . 8.8 tp -98.43 121.62 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.187 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.723 HD11 HD11 ' A' ' 125' ' ' ILE . 9.5 tt -102.96 138.64 39.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.002 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -122.82 171.13 9.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.425 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 5.9 p-10 -58.12 138.26 56.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.413 ' HA2' HD21 ' A' ' 134' ' ' LEU . . . 77.51 49.56 7.2 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.495 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.27 127.94 47.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.757 0.313 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.486 ' CG ' HD12 ' A' ' 134' ' ' LEU . 13.5 mtt-85 -89.26 122.6 32.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.803 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.723 HD11 HD11 ' A' ' 119' ' ' LEU . 1.8 mp -123.12 129.6 74.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.8 t -111.65 134.06 55.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.039 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.653 ' HB2' HD22 ' A' ' 68' ' ' LEU . 5.2 m-85 -116.37 137.25 52.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.011 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.68 -64.9 2.55 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.463 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 170.44 -35.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.34 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 18.2 p -106.81 -38.09 6.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.305 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 22.7 m -57.82 105.85 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.906 0.384 . . . . 0.0 111.06 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 72.4 p -124.47 120.8 33.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.192 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.426 ' N ' ' CD1' ' A' ' 133' ' ' PHE . 1.8 p90 -142.03 152.64 43.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.778 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.486 HD12 ' CG ' ' A' ' 124' ' ' ARG . 5.5 tt -114.48 139.96 49.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.005 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.403 ' CE1' ' CD1' ' A' ' 95' ' ' ILE . 21.8 t80 -106.87 141.71 37.66 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 121.883 0.849 . . . . 0.0 111.539 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -154.52 155.6 35.13 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 114.047 -1.433 . . . . 0.0 110.954 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.425 ' CE2' ' HB3' ' A' ' 121' ' ' ASN . 1.2 m-85 -79.11 139.9 37.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.923 0.392 . . . . 0.0 110.578 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.563 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . . . . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.002 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.403 ' HB2' ' CG2' ' A' ' 51' ' ' THR . 39.3 m-85 . . . . . 0 CA--C 1.534 0.362 0 CA-C-O 120.236 0.065 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.24 128.9 23.0 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.836 0.35 . . . . 0.0 110.64 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.41 145.03 49.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.008 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.14 -46.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.475 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -139.03 166.73 25.35 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.084 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.416 ' CE1' ' CB ' ' A' ' 138' ' ' ALA . 28.3 m80 -134.27 160.27 38.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.895 0.379 . . . . 0.0 111.097 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.686 HD12 HD11 ' A' ' 50' ' ' ILE . 16.5 mt -124.72 115.03 20.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.782 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.2 t -96.01 121.89 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.143 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.595 ' HB3' HD11 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -90.14 116.69 28.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.776 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mp -99.01 106.95 19.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.595 HD11 ' HB3' ' A' ' 39' ' ' ASN . 3.8 mp -124.19 141.28 36.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.831 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.549 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 56.7 Cg_endo -73.26 87.79 1.03 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.169 1.913 . . . . 0.0 111.984 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.29 19.9 4.93 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.46 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 ttpp 179.96 166.43 1.24 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.812 0.339 . . . . 0.0 110.697 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.05 145.32 25.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.953 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -137.54 139.97 40.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -113.06 125.85 54.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.454 HG11 HG13 ' A' ' 66' ' ' VAL . 38.7 t -122.73 149.03 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.175 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -107.96 142.08 38.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.686 HD11 HD12 ' A' ' 37' ' ' LEU . 23.9 mm -116.1 131.49 68.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.376 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.403 ' CG2' ' HB2' ' A' ' 31' ' ' TYR . 0.6 OUTLIER -106.47 168.23 9.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.901 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.428 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 0.4 OUTLIER -91.24 66.9 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.094 0.473 . . . . 0.0 110.429 179.465 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.57 ' C ' ' H ' ' A' ' 55' ' ' VAL . 20.1 ttt180 -88.07 10.05 20.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.896 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.401 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 0.5 OUTLIER 71.47 -39.34 0.45 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -178.584 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.57 ' H ' ' C ' ' A' ' 53' ' ' ARG . 94.5 t -137.56 137.26 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.254 178.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.768 HG23 ' CB ' ' A' ' 65' ' ' ASP . 60.6 m -125.31 129.18 49.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.333 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.94 137.93 41.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.96 0.41 . . . . 0.0 111.065 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.44 ' CD1' ' CE1' ' A' ' 80' ' ' PHE . 8.2 mt -128.56 118.3 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.29 -141.19 5.61 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.544 -0.836 . . . . 0.0 113.047 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.417 ' HD2' ' O ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -101.25 -30.79 11.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.776 0.322 . . . . 0.0 111.038 -179.631 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.624 ' CB ' HG23 ' A' ' 75' ' ' THR . 0.3 OUTLIER -46.34 157.85 0.12 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.411 -179.647 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -85.45 -35.21 21.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.711 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.07 -21.46 63.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 67.0 m -52.55 155.94 2.01 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.768 ' CB ' HG23 ' A' ' 56' ' ' THR . 1.4 m-20 -73.06 -59.02 2.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.39 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.454 HG13 HG11 ' A' ' 48' ' ' VAL . 26.3 t -110.97 131.91 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.141 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.1 pp -97.35 104.92 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.854 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.486 HD23 HD11 ' A' ' 73' ' ' ILE . 2.2 tp -73.74 -152.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.118 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.557 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 16.3 t -35.91 -88.95 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 117.463 0.12 . . . . 0.0 111.1 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.557 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.5 OUTLIER 143.37 -67.17 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.661 0 C-N-CA 123.162 0.585 . . . . 0.0 111.129 179.048 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 70' ' ' GLU . 40.9 Cg_endo -67.28 -13.86 40.91 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.509 2.139 . . . . 0.0 113.415 -179.188 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -139.71 26.03 2.33 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.756 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.486 HD11 HD23 ' A' ' 68' ' ' LEU . 6.3 tp -106.67 144.66 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.009 0.433 . . . . 0.0 111.423 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 77' ' ' HIS . 63.3 m -87.46 130.87 34.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.234 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.624 HG23 ' CB ' ' A' ' 61' ' ' SER . 17.0 m -55.66 -34.89 65.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.139 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -112.12 14.16 20.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.19 0.519 . . . . 0.0 111.582 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 74' ' ' SER . 6.7 t60 -28.4 -68.74 0.06 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.865 -1.061 . . . . 0.0 112.759 -179.112 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -149.9 164.08 36.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.158 0.504 . . . . 0.0 112.115 -179.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.9 137.43 41.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.436 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.491 ' HZ ' HD13 ' A' ' 125' ' ' ILE . 7.0 m-85 -119.45 131.23 55.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.012 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.401 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 17.1 m80 -94.86 116.82 29.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.87 0.367 . . . . 0.0 111.16 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.635 HD11 HG21 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -106.29 109.41 21.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.795 179.744 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.32 140.11 53.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -99.65 131.44 45.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.03 118.74 37.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -84.28 122.75 29.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.076 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.0 t -140.03 139.38 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.947 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -44.73 -66.33 0.41 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.519 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -49.9 -79.93 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.28 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -139.07 148.06 42.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.74 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -82.8 128.04 34.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.002 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 -117.05 139.44 50.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -114.02 131.65 56.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.8 mp -105.95 141.93 36.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.67 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.597 HD12 ' HG ' ' A' ' 82' ' ' LEU . 12.0 mm -116.73 138.65 46.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.219 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.41 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 0.8 OUTLIER -115.09 144.13 44.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.567 179.804 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.471 HG13 ' CZ ' ' A' ' 80' ' ' PHE . 14.5 t -115.52 135.02 56.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.268 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 27.0 mt -124.15 137.27 57.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.531 ' HB2' HD13 ' A' ' 112' ' ' LEU . 9.5 t0 -107.89 114.93 29.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.021 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -143.28 51.25 1.38 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.799 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.65 172.83 8.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.996 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -110.53 -30.96 7.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.749 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -65.65 -74.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.216 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 170.86 142.21 3.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.769 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.434 HG23 ' CD1' ' A' ' 127' ' ' PHE . 82.9 m -131.99 122.85 26.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.732 0.301 . . . . 0.0 110.652 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -121.07 121.23 37.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.006 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.767 HD13 HD12 ' A' ' 125' ' ' ILE . 3.1 tp -117.67 137.25 52.2 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 CA-C-O 121.502 0.668 . . . . 0.0 111.231 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.8 m120 60.28 31.0 20.3 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.738 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.61 13.1 74.46 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.823 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -134.11 152.01 51.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 110.795 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 -70.42 142.78 51.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.531 HD13 ' HB2' ' A' ' 99' ' ' ASP . 9.5 tt -77.46 121.91 24.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 30.7 m -138.64 30.88 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.072 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.05 149.72 33.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.42 141.85 28.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 25.4 t70 62.63 70.73 0.55 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -84.08 139.1 32.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.79 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.537 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.6 tp -98.69 118.14 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.042 0.449 . . . . 0.0 111.313 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.44 HD21 ' HB3' ' A' ' 135' ' ' PHE . 9.5 tt -103.09 144.19 31.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.962 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -136.13 178.04 7.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.72 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.417 ' HB3' ' CD2' ' A' ' 137' ' ' TYR . 8.4 p-10 -58.93 140.51 55.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.416 ' HA2' HD21 ' A' ' 134' ' ' LEU . . . 74.97 42.51 29.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.507 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.498 ' C ' HD12 ' A' ' 134' ' ' LEU . 4.1 m-20 -121.66 118.53 29.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.361 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.634 ' N ' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -90.31 119.41 30.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.779 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.767 HD12 HD13 ' A' ' 107' ' ' ILE . 3.6 tt -118.05 137.53 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.234 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.489 HG22 ' OG ' ' A' ' 132' ' ' SER . 25.3 t -116.56 132.33 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.931 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.434 ' CD1' HG23 ' A' ' 105' ' ' THR . 18.9 m-85 -122.22 134.59 54.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 83.65 -68.07 3.61 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.371 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 171.2 -33.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.618 0.247 . . . . 0.0 110.969 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 95.8 p -110.42 -41.23 4.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.372 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 38.3 m -56.37 102.02 0.07 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.106 0.479 . . . . 0.0 111.288 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.489 ' OG ' HG22 ' A' ' 126' ' ' VAL . 2.7 t -124.87 119.89 30.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.141 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.516 ' HD1' HD22 ' A' ' 37' ' ' LEU . 27.5 p90 -142.05 156.15 45.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.873 0.368 . . . . 0.0 111.203 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 124' ' ' ARG . 1.5 tp -113.35 140.01 48.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.808 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.471 ' HB2' HD21 ' A' ' 37' ' ' LEU . 26.0 t80 -105.14 141.47 36.64 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.947 0.88 . . . . 0.0 111.816 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -154.69 155.96 35.55 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 113.869 -1.514 . . . . 0.0 110.893 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.417 ' CD2' ' HB3' ' A' ' 121' ' ' ASN . 5.5 m-85 -86.01 139.56 31.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.743 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.416 ' CB ' ' CE1' ' A' ' 36' ' ' HIS . . . . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 . . . . . 0 CA--C 1.534 0.33 0 CA-C-O 120.285 0.088 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.504 ' N ' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.42 128.92 22.74 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.72 0.295 . . . . 0.0 110.627 179.747 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.2 132.2 53.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.072 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.62 -47.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.624 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.625 ' C ' HG22 ' A' ' 50' ' ' ILE . . . -140.37 -172.14 12.75 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.175 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.667 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 46.6 m80 -145.82 164.38 32.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.956 0.408 . . . . 0.0 111.051 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.405 HD11 HD12 ' A' ' 50' ' ' ILE . 1.2 mp -127.24 127.49 44.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.758 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.578 HG22 ' CD ' ' A' ' 47' ' ' LYS . 21.8 t -110.51 121.98 64.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -88.21 113.95 24.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.836 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mp -93.29 106.79 18.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.539 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 3.6 mp -124.18 141.01 36.15 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.539 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 46.5 Cg_endo -71.74 77.36 1.84 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.122 1.881 . . . . 0.0 111.803 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.54 31.07 1.09 Allowed Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.247 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 175.29 -170.25 0.05 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.808 0.337 . . . . 0.0 110.716 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -178.43 151.17 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -146.43 130.22 17.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.578 ' CD ' HG22 ' A' ' 38' ' ' VAL . 0.4 OUTLIER -113.12 126.41 55.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.976 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 42.9 t -125.11 148.53 29.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.161 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -94.24 137.89 32.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.759 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.625 HG22 ' C ' ' A' ' 35' ' ' GLY . 13.0 tt -116.14 132.13 66.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.052 0.453 . . . . 0.0 111.442 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.504 HG22 ' N ' ' A' ' 32' ' ' THR . 0.2 OUTLIER -100.89 168.13 9.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.93 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -77.03 63.13 2.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.023 0.44 . . . . 0.0 110.29 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.543 ' C ' ' H ' ' A' ' 55' ' ' VAL . 4.4 ttt85 -81.55 0.88 36.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.051 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.479 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 0.9 OUTLIER 71.72 -36.46 0.36 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -178.761 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.543 ' H ' ' C ' ' A' ' 53' ' ' ARG . 73.8 t -137.45 138.78 44.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.746 179.391 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.441 HG22 ' CB ' ' A' ' 65' ' ' ASP . 0.7 OUTLIER -125.31 128.32 48.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.5 179.828 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.88 137.45 41.85 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.822 0.344 . . . . 0.0 111.126 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.477 HD11 ' HD2' ' A' ' 80' ' ' PHE . 4.6 mp -131.66 124.43 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.181 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.16 -135.14 3.26 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.416 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.496 ' HB2' HG23 ' A' ' 73' ' ' ILE . 9.4 ttt-85 -108.54 -26.35 10.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.826 0.346 . . . . 0.0 111.026 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.24 139.15 43.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -70.19 -30.0 67.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.8 m -69.97 -25.73 63.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 90.4 m -55.78 162.69 1.66 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.441 ' CB ' HG22 ' A' ' 56' ' ' THR . 0.6 OUTLIER -71.06 -57.06 4.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.967 0.413 . . . . 0.0 110.847 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.14 116.31 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.973 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 10.5 pt -93.77 128.08 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.178 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.422 HD13 HD13 ' A' ' 73' ' ' ILE . 1.1 mt -90.68 164.71 14.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.751 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.3 m -103.25 31.37 4.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.59 133.89 30.28 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.547 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.24 -13.72 41.12 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.417 2.078 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -134.74 38.3 3.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 111.091 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.496 HG23 ' HB2' ' A' ' 60' ' ' ARG . 8.3 tp -81.62 121.07 34.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.983 0.42 . . . . 0.0 111.205 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.0 t -56.33 134.41 53.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.365 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.0 m -61.8 -44.03 97.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.797 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.458 ' O ' ' C ' ' A' ' 77' ' ' HIS . 11.9 m-85 -102.8 13.83 33.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.208 0.528 . . . . 0.0 111.385 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -18.67 -70.15 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.603 -1.18 . . . . 0.0 112.916 -179.329 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -145.32 162.82 36.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.13 0.49 . . . . 0.0 111.843 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -134.48 133.97 40.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.446 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.614 ' CE1' HG13 ' A' ' 97' ' ' VAL . 54.7 m-85 -119.37 128.0 53.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.849 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.479 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 19.2 m80 -94.95 116.48 28.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.812 0.339 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.43 HD22 HG12 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -106.4 109.44 21.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.797 179.714 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.46 140.15 53.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.072 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -103.36 120.88 41.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.1 mtt -131.44 127.68 37.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -107.07 136.9 46.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.57 HG12 ' OD1' ' A' ' 88' ' ' ASP . 21.5 t -138.56 139.03 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.028 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.57 ' OD1' HG12 ' A' ' 87' ' ' VAL . 4.1 m-20 71.14 -60.62 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.083 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -171.82 -41.32 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.834 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -74.8 -177.12 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.651 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -129.7 128.0 41.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.034 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -114.76 143.48 45.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -114.04 120.77 41.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.06 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.5 mt -106.29 136.0 46.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.652 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.407 ' N ' HD12 ' A' ' 95' ' ' ILE . 3.1 mp -123.28 141.08 44.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.887 0.375 . . . . 0.0 111.259 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -117.68 142.81 46.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.775 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.614 HG13 ' CE1' ' A' ' 80' ' ' PHE . 11.5 t -110.13 133.41 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.0 mt -128.14 126.94 67.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.016 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.401 ' HB3' HD13 ' A' ' 112' ' ' LEU . 11.9 p-10 -84.95 118.84 24.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -144.71 37.78 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.9 179.87 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -109.96 -31.14 7.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.967 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -92.32 -48.77 6.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.09 146.42 4.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.593 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.485 HG23 ' HA ' ' A' ' 127' ' ' PHE . 67.6 m -132.02 133.15 44.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.888 0.375 . . . . 0.0 110.805 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -109.41 130.69 55.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.2 tp -119.58 137.34 53.78 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 CA-C-O 121.447 0.641 . . . . 0.0 111.349 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.7 m120 61.13 28.81 18.44 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.8 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.65 12.71 74.24 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.743 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -134.12 152.02 51.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.803 0.335 . . . . 0.0 110.805 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -65.22 142.96 58.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.401 HD13 ' HB3' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -73.52 130.76 40.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 28.8 m -117.39 -39.96 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.049 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -101.23 154.33 18.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.49 -29.58 22.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -104.21 70.36 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.042 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.426 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 4.7 t80 -84.04 139.09 32.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.755 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.538 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.6 tp -98.6 118.65 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-O 121.005 0.431 . . . . 0.0 111.382 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.557 HD11 HD11 ' A' ' 125' ' ' ILE . 8.4 tt -103.01 139.46 38.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -126.64 178.07 6.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.859 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.422 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 6.8 p-10 -58.0 137.66 56.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.947 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 76.14 39.81 31.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -104.8 137.26 42.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.349 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -106.23 118.89 37.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.557 HD11 HD11 ' A' ' 119' ' ' LEU . 1.5 mp -114.98 135.36 55.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 39.6 t -121.07 123.9 71.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.268 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.485 ' HA ' HG23 ' A' ' 105' ' ' THR . 5.5 m-85 -109.76 147.84 32.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.037 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.02 -64.66 0.71 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.52 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? 171.99 -42.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.814 0.34 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 59.5 p -105.92 -33.49 7.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 22.8 m -58.2 108.53 0.62 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 63.9 p -124.02 141.3 52.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -141.98 156.04 45.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 7.7 tt -126.1 115.07 19.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.737 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.552 ' HE1' HG21 ' A' ' 50' ' ' ILE . 88.7 t80 -92.08 141.78 28.23 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.946 0.879 . . . . 0.0 111.788 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.17 154.76 34.1 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 113.91 -1.495 . . . . 0.0 110.741 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.506 ' N ' ' CD1' ' A' ' 137' ' ' TYR . 0.5 OUTLIER -86.0 139.61 31.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.697 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.667 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . . . . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.081 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 . . . . . 0 CA--C 1.536 0.422 0 N-CA-C 110.632 -0.136 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.583 ' C ' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.33 129.77 24.02 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.713 0.292 . . . . 0.0 110.268 179.775 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.46 142.68 48.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.958 0.408 . . . . 0.0 111.333 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.518 HD21 ' OE1' ' A' ' 91' ' ' GLN . 0.4 OUTLIER -151.71 -47.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.476 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -128.64 155.33 20.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.132 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.489 ' ND1' ' HB3' ' A' ' 138' ' ' ALA . 18.5 m80 -120.54 161.98 20.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.947 0.403 . . . . 0.0 111.163 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 1.041 HD12 HD11 ' A' ' 50' ' ' ILE . 12.1 mt -127.04 124.12 38.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.625 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.6 t -101.49 121.71 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.085 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.436 ' HA ' ' CD2' ' A' ' 133' ' ' PHE . 0.0 OUTLIER -90.31 128.55 36.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.632 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 mt -107.92 106.63 16.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.627 HG23 ' HD2' ' A' ' 42' ' ' PRO . 37.9 mm -124.46 141.81 38.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.627 ' HD2' HG23 ' A' ' 41' ' ' ILE . 60.5 Cg_endo -75.99 72.39 5.26 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.223 1.948 . . . . 0.0 111.978 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 161.76 -26.78 0.26 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.413 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -178.68 122.26 0.09 Allowed 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -79.61 -174.03 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.02 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.18 141.01 3.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.817 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.04 122.96 49.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.4 t -117.96 150.96 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -105.18 131.97 51.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.041 HD11 HD12 ' A' ' 37' ' ' LEU . 36.6 mm -106.37 127.11 61.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.1 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.583 HG22 ' C ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -98.72 167.17 10.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.097 -179.855 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.456 ' ND2' ' H ' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -83.41 62.45 6.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.518 179.297 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.557 ' C ' ' H ' ' A' ' 55' ' ' VAL . 9.3 mtt180 -85.18 5.89 28.13 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.913 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.442 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 2.3 t-20 71.59 -36.98 0.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -178.698 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.557 ' H ' ' C ' ' A' ' 53' ' ' ARG . 67.5 t -137.48 135.66 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.85 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.718 HG23 ' CB ' ' A' ' 65' ' ' ASP . 88.4 m -125.22 130.19 51.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.963 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.9 137.71 41.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.923 0.392 . . . . 0.0 111.148 -179.679 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.774 HG22 HD11 ' A' ' 68' ' ' LEU . 4.8 mp -125.86 125.59 68.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.52 -132.04 2.47 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.431 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.85 -26.28 6.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.666 0.269 . . . . 0.0 111.267 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.472 ' HB2' HG23 ' A' ' 75' ' ' THR . 0.1 OUTLIER -46.85 145.17 2.09 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.947 0.403 . . . . 0.0 111.238 -179.856 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -26.34 62.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.158 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.3 p -81.26 -26.89 35.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.231 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.1 m -53.26 160.61 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.074 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.718 ' CB ' HG23 ' A' ' 56' ' ' THR . 4.3 m-20 -72.62 -58.34 3.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.935 0.397 . . . . 0.0 110.836 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -104.89 132.98 50.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.077 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.2 pt -108.73 106.18 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.188 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.841 HD22 ' CD1' ' A' ' 73' ' ' ILE . 5.1 mp -65.44 -177.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.15 39.18 4.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.199 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.404 ' HB2' ' HB ' ' A' ' 73' ' ' ILE . 0.8 OUTLIER -111.91 132.03 22.17 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.749 179.817 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.08 -14.29 42.91 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.453 2.102 . . . . 0.0 112.634 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -127.24 33.43 4.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 110.995 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.841 ' CD1' HD22 ' A' ' 68' ' ' LEU . 5.7 tp -82.38 140.17 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.4 m -67.84 131.49 45.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.099 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.472 HG23 ' HB2' ' A' ' 61' ' ' SER . 82.6 m -63.11 -44.03 96.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.469 ' O ' ' C ' ' A' ' 77' ' ' HIS . 5.5 m-85 -101.46 13.92 33.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.282 0.563 . . . . 0.0 111.368 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.469 ' C ' ' O ' ' A' ' 76' ' ' PHE . 2.7 t60 -15.81 -67.99 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.631 -1.168 . . . . 0.0 112.894 -179.525 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.407 ' HB3' ' HE2' ' A' ' 127' ' ' PHE . . . -152.85 164.04 38.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.091 0.472 . . . . 0.0 111.831 -179.488 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -132.71 136.87 46.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.285 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 56' ' ' THR . 6.1 m-85 -119.31 130.99 55.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.022 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.442 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 10.0 m-70 -96.23 116.32 28.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.888 0.375 . . . . 0.0 111.226 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.552 HD13 ' CG2' ' A' ' 50' ' ' ILE . 0.3 OUTLIER -106.48 109.42 21.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.714 179.448 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.3 tp -122.18 140.09 52.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.165 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -102.01 134.87 44.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.807 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.4 ttt -128.64 138.64 52.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.032 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -107.09 128.42 54.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -140.0 126.79 23.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.094 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.8 t0 73.58 -58.87 0.58 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.072 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -168.8 -42.58 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.832 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -79.21 179.88 7.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.676 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.518 ' OE1' HD21 ' A' ' 34' ' ' LEU . 3.0 pt20 -130.59 128.0 40.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.075 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -109.79 138.5 46.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.638 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -114.05 127.27 55.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.198 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.721 HD12 HD11 ' A' ' 118' ' ' ILE . 2.4 mm? -109.58 141.64 41.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.512 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.47 HD11 ' CE1' ' A' ' 135' ' ' PHE . 4.4 mp -113.19 141.02 30.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.287 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.86 144.08 44.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.71 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.407 HG12 HD11 ' A' ' 112' ' ' LEU . 16.4 t -109.71 125.88 66.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.233 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 34.1 mt -130.11 144.39 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.012 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -117.34 138.99 51.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.962 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.3 pttt -161.19 53.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -152.76 -176.44 5.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.35 -30.22 13.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.23 -36.72 73.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.253 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 87.05 150.88 19.19 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.373 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.433 ' HB ' HD12 ' A' ' 112' ' ' LEU . 4.4 m -131.93 125.84 32.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 110.82 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -110.93 117.2 32.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.482 HD13 HG13 ' A' ' 125' ' ' ILE . 3.2 tp -111.58 137.16 45.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.444 0.64 . . . . 0.0 111.228 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.5 m120 58.53 31.69 21.3 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.787 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.61 13.04 74.42 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.825 -0.702 . . . . 0.0 113.028 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -128.3 147.74 50.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.777 0.322 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -74.92 143.03 43.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.989 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.499 ' O ' HG13 ' A' ' 113' ' ' VAL . 18.9 mt -74.61 135.42 42.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 112' ' ' LEU . 12.3 m -158.11 -46.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.438 ' N ' HG23 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -60.57 -20.09 59.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.22 152.45 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.792 0.33 . . . . 0.0 110.832 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.7 t70 60.66 51.64 4.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.77 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.63 139.18 45.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.721 HD11 HD12 ' A' ' 94' ' ' LEU . 8.0 tp -98.5 120.48 47.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.907 HD11 HD11 ' A' ' 125' ' ' ILE . 6.2 tt -103.01 130.24 50.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.096 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.73 178.1 4.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.623 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.44 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 3.3 p-10 -57.03 145.05 31.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.405 ' HA2' HD21 ' A' ' 134' ' ' LEU . . . 68.19 36.5 85.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.397 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.54 135.35 49.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.767 0.317 . . . . 0.0 110.807 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -107.08 128.14 54.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.907 HD11 HD11 ' A' ' 119' ' ' LEU . 2.1 mp -118.86 134.43 62.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.056 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 29.7 t -110.49 124.37 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.17 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.441 ' HB3' ' CE1' ' A' ' 77' ' ' HIS . 48.7 m-85 -109.3 114.37 28.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 96.83 -71.08 0.78 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.593 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.05 -36.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.701 0.286 . . . . 0.0 111.057 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.01 -36.67 5.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.58 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 8.6 m -62.6 108.82 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.888 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 40.0 t -121.58 137.76 54.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.606 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.47 ' N ' ' CD1' ' A' ' 133' ' ' PHE . 1.5 m-85 -135.64 156.0 49.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.975 0.416 . . . . 0.0 111.241 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.579 HD23 ' N ' ' A' ' 135' ' ' PHE . 1.3 tt -121.31 140.05 52.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.641 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.579 ' N ' HD23 ' A' ' 134' ' ' LEU . 34.3 t80 -116.49 141.5 48.09 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 122.016 0.912 . . . . 0.0 111.925 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -154.57 148.41 25.55 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 113.761 -1.563 . . . . 0.0 110.831 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 121' ' ' ASN . 7.7 m-85 -76.46 139.8 40.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.022 0.439 . . . . 0.0 110.817 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.489 ' HB3' ' ND1' ' A' ' 36' ' ' HIS . . . . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.973 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 . . . . . 0 CA--C 1.538 0.487 0 N-CA-C 110.563 -0.162 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.581 ' O ' HG22 ' A' ' 51' ' ' THR . 1.0 OUTLIER -140.26 141.15 35.85 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.772 0.32 . . . . 0.0 110.512 179.587 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.866 ' O ' HD22 ' A' ' 34' ' ' LEU . 54.1 t -60.09 145.12 47.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.407 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.866 HD22 ' O ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -146.93 -46.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.494 179.733 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -157.65 174.69 35.06 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.14 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.412 ' CD2' ' O ' ' A' ' 48' ' ' VAL . 27.3 m80 -139.35 165.28 27.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.989 0.424 . . . . 0.0 111.139 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 1.08 HD11 HD11 ' A' ' 50' ' ' ILE . 3.2 mt -127.34 110.63 13.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.566 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.02 121.4 46.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 111.137 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -90.47 129.75 36.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.839 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 mp -98.07 106.36 18.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.91 0.386 . . . . 0.0 110.625 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.525 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 6.2 mt -124.65 140.37 35.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.66 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.525 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 55.8 Cg_endo -73.25 73.95 3.16 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.073 1.849 . . . . 0.0 111.947 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 159.69 -24.19 0.3 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.492 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -177.0 154.32 1.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.78 0.324 . . . . 0.0 110.813 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -109.85 157.06 19.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -133.31 135.98 45.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.782 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -113.11 135.07 54.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.087 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.412 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 25.9 t -118.94 149.62 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -100.84 132.49 46.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.033 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.08 HD11 HD11 ' A' ' 37' ' ' LEU . 33.2 mm -116.09 115.11 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.581 HG22 ' O ' ' A' ' 32' ' ' THR . 0.5 OUTLIER -102.57 168.09 9.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.5 179.731 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.434 ' HA ' HD23 ' A' ' 82' ' ' LEU . 2.1 p-10 -76.96 62.67 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.983 0.421 . . . . 0.0 110.44 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.537 ' C ' ' H ' ' A' ' 55' ' ' VAL . 7.3 ttt85 -84.0 1.66 42.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.877 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.444 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 1.4 m-20 71.31 -38.19 0.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.078 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.537 ' H ' ' C ' ' A' ' 53' ' ' ARG . 66.6 t -137.49 134.44 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.18 179.465 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.555 HG23 ' HB3' ' A' ' 65' ' ' ASP . 48.3 m -125.46 119.96 29.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.905 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.537 HG23 ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -103.84 132.76 49.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.956 0.408 . . . . 0.0 111.14 -179.524 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.599 HG21 ' CD2' ' A' ' 127' ' ' PHE . 5.2 mp -115.6 119.75 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.6 -126.51 1.27 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.559 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.46 -28.96 3.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.633 0.254 . . . . 0.0 111.398 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.9 137.9 6.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.915 0.388 . . . . 0.0 111.363 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -30.08 71.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 76.7 p -74.99 -22.9 58.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.233 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.1 m -54.43 159.54 2.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.778 0.323 . . . . 0.0 111.089 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.555 ' HB3' HG23 ' A' ' 56' ' ' THR . 10.2 t70 -79.99 -49.95 11.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.961 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.434 HG12 HD23 ' A' ' 68' ' ' LEU . 22.0 t -125.04 106.81 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.435 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.9 pt -108.91 129.01 64.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.734 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.766 HD12 ' N ' ' A' ' 69' ' ' SER . 3.3 pp -175.53 -163.41 0.12 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.243 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.909 ' CB ' HD13 ' A' ' 73' ' ' ILE . 7.4 t 85.59 -68.52 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.087 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 176.24 167.91 0.41 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.07 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -63.93 -13.75 39.15 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.842 2.361 . . . . 0.0 112.637 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -98.67 24.82 7.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.784 0.326 . . . . 0.0 110.829 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.909 HD13 ' CB ' ' A' ' 69' ' ' SER . 2.2 tp -92.66 139.5 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.435 ' HB2' ' CG ' ' A' ' 77' ' ' HIS . 0.6 OUTLIER -53.36 131.18 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.306 -179.669 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.6 -44.03 79.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.618 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.462 ' O ' ' C ' ' A' ' 77' ' ' HIS . 64.2 m-85 -102.84 13.75 33.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.286 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.462 ' C ' ' O ' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -17.17 -70.88 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.556 -1.202 . . . . 0.0 112.705 -179.579 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.632 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . . . -152.01 164.02 38.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.98 0.419 . . . . 0.0 111.741 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.537 ' HG2' HG23 ' A' ' 57' ' ' THR . 7.4 mt-10 -132.84 133.12 42.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.624 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.727 ' CE1' HG13 ' A' ' 97' ' ' VAL . 28.9 m-85 -119.44 122.76 42.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.615 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.444 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 6.9 m-70 -94.83 116.38 28.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.937 0.398 . . . . 0.0 111.365 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.617 HD22 HG22 ' A' ' 50' ' ' ILE . 3.7 tp -106.61 109.65 21.63 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.644 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.38 140.18 52.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.6 ' OE1' HD21 ' A' ' 34' ' ' LEU . 16.1 mt-30 -108.29 126.23 52.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.723 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.19 135.38 43.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.975 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -107.03 135.95 47.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.7 t -140.04 122.47 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.5 t0 74.03 -58.87 0.57 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.079 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -173.94 -40.83 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.777 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -92.8 108.29 19.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.715 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -82.95 140.22 32.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.009 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -114.42 154.27 28.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.819 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -108.52 120.09 41.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.81 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 mp -108.08 134.47 50.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.766 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.486 HG13 HD12 ' A' ' 82' ' ' LEU . 3.9 mp -119.33 137.97 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.225 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -113.93 144.09 43.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.799 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.727 HG13 ' CE1' ' A' ' 80' ' ' PHE . 3.4 t -105.68 133.95 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.291 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 36.0 mt -130.04 120.95 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.02 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.6 127.95 55.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.945 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -158.64 55.86 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -143.49 177.69 8.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.68 -24.42 10.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.54 -28.8 22.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.443 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 106.26 129.92 6.44 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.515 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.453 HG23 ' CD1' ' A' ' 127' ' ' PHE . 88.5 m -132.06 124.72 29.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.853 0.359 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -120.96 114.94 22.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 124' ' ' ARG . 2.9 tp -117.27 137.38 51.38 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-O 121.458 0.646 . . . . 0.0 111.439 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.7 m120 61.81 26.89 16.37 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.64 12.91 74.41 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.893 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -133.98 152.08 51.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.792 0.33 . . . . 0.0 110.784 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.45 133.32 42.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.5 tt -75.08 124.33 26.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.482 HG13 ' N ' ' A' ' 114' ' ' LYS . 11.1 p -121.33 -44.76 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.482 ' N ' HG13 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -91.29 148.8 22.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.902 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -87.48 166.52 14.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.991 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 25.8 t0 66.43 59.27 0.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.029 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.408 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 0.2 OUTLIER -84.03 139.05 32.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.695 179.723 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.572 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.4 tp -98.57 114.59 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-O 121.09 0.472 . . . . 0.0 111.312 -179.653 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.768 HD11 HD11 ' A' ' 125' ' ' ILE . 10.0 tt -103.12 136.48 42.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.443 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -132.13 178.14 7.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 22.0 p-10 -54.51 148.09 12.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.084 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 65.49 39.21 95.52 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.408 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -108.14 125.58 51.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.453 ' O ' HD12 ' A' ' 107' ' ' ILE . 79.8 mtt-85 -88.68 117.42 27.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.768 HD11 HD11 ' A' ' 119' ' ' LEU . 1.8 mt -114.83 134.91 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.671 HG13 ' O ' ' A' ' 131' ' ' CYS . 34.3 t -124.0 133.05 70.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.372 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.632 ' CZ ' ' HB3' ' A' ' 78' ' ' ALA . 10.1 m-85 -122.83 135.62 54.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.822 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 84.49 -69.11 3.39 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.301 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 168.95 -33.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.747 0.308 . . . . 0.0 111.092 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.49 -31.76 8.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.431 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' CYS . . . . . 0.671 ' O ' HG13 ' A' ' 126' ' ' VAL . 11.0 m -57.86 107.64 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.03 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 37.6 m -124.2 116.53 22.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -142.16 156.52 45.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.983 0.421 . . . . 0.0 111.225 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.578 HD21 ' HD2' ' A' ' 136' ' ' LYS . 6.5 tt -116.96 139.28 50.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.702 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.55 ' HD1' HD23 ' A' ' 37' ' ' LEU . 63.0 t80 -101.42 141.58 34.08 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.982 0.896 . . . . 0.0 111.902 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.578 ' HD2' HD21 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -154.34 146.42 23.66 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 113.873 -1.512 . . . . 0.0 110.844 179.755 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.431 ' CZ ' ' HB3' ' A' ' 121' ' ' ASN . 0.8 OUTLIER -76.56 139.59 40.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.377 . . . . 0.0 110.743 179.715 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.118 -179.932 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 . . . . . 0 CA--C 1.536 0.411 0 N-CA-C 110.861 -0.052 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.457 ' C ' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.31 129.45 23.63 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.786 0.327 . . . . 0.0 110.504 179.732 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.446 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.8 t -74.39 114.97 13.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.272 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.446 HD22 ' O ' ' A' ' 33' ' ' CYS . 2.8 mm? -124.6 -46.44 1.88 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.302 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -123.91 169.77 16.07 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.887 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.409 ' ND1' ' CB ' ' A' ' 138' ' ' ALA . 17.8 m80 -131.08 166.06 21.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.141 0.496 . . . . 0.0 111.374 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.826 HD23 HG13 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -126.66 116.41 20.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.527 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.6 t -95.94 121.8 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 111.206 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -90.13 116.05 27.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.76 106.83 18.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.806 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.528 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 35.6 mt -124.13 140.84 35.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.98 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.528 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 60.3 Cg_endo -75.07 89.25 1.18 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.24 1.96 . . . . 0.0 111.872 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.23 21.26 5.95 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.262 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.9 tttp 175.21 163.03 0.26 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.736 0.303 . . . . 0.0 110.57 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -145.98 150.0 35.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -143.33 137.06 28.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.99 123.09 49.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 19.7 t -111.6 139.9 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.223 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -82.0 134.22 35.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.826 HG13 HD23 ' A' ' 37' ' ' LEU . 28.0 mm -112.03 130.88 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.333 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.457 HG22 ' C ' ' A' ' 32' ' ' THR . 0.6 OUTLIER -108.96 167.96 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.605 179.785 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -67.27 -98.09 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.502 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.569 ' C ' ' H ' ' A' ' 55' ' ' VAL . 10.2 ttt85 73.73 -1.58 3.02 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 70.28 -33.0 0.25 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.738 0.304 . . . . 0.0 110.185 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.569 ' H ' ' C ' ' A' ' 53' ' ' ARG . 67.6 t -135.95 145.18 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.663 HG23 ' HB3' ' A' ' 65' ' ' ASP . 31.5 m -125.42 132.73 52.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.238 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.38 129.76 54.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.858 0.361 . . . . 0.0 110.708 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.42 ' CG2' HD11 ' A' ' 68' ' ' LEU . 22.9 mt -123.79 133.96 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.287 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 162.49 -119.08 0.86 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.542 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.36 -33.07 2.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.717 0.294 . . . . 0.0 111.28 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.54 ' HB2' HG23 ' A' ' 75' ' ' THR . 0.3 OUTLIER -48.78 133.46 17.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.266 -179.845 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -63.73 -31.01 72.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.1 p -69.91 -23.99 63.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.114 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 90.6 m -57.64 155.95 9.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.849 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.663 ' HB3' HG23 ' A' ' 56' ' ' THR . 8.2 t0 -66.85 -51.04 60.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.96 0.41 . . . . 0.0 110.853 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.66 111.51 32.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.092 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.7 mp -94.44 127.8 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.802 HD22 ' CD1' ' A' ' 73' ' ' ILE . 6.2 mp -83.2 -176.71 6.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.9 m -123.26 28.62 7.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.354 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.442 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 2.4 tp10 -102.62 132.73 21.0 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.591 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.04 -13.72 41.13 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.643 2.229 . . . . 0.0 112.914 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -123.62 38.62 4.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.718 0.294 . . . . 0.0 111.23 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.802 ' CD1' HD22 ' A' ' 68' ' ' LEU . 5.6 tp -91.18 134.24 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.172 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.1 t -67.51 131.81 46.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.987 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.54 HG23 ' HB2' ' A' ' 61' ' ' SER . 61.4 m -59.52 -41.43 89.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.813 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.477 ' O ' ' C ' ' A' ' 77' ' ' HIS . 0.6 OUTLIER -104.01 13.76 31.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.182 0.515 . . . . 0.0 111.408 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.58 ' CE1' ' HB3' ' A' ' 127' ' ' PHE . 22.5 t-80 -15.17 -67.8 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.655 -1.157 . . . . 0.0 112.891 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.86 164.02 39.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 111.506 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 56' ' ' THR . 3.7 pm0 -132.91 134.37 44.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.909 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.932 ' CZ ' HG13 ' A' ' 97' ' ' VAL . 5.6 m-85 -119.29 131.2 55.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.482 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.416 ' CE1' HG22 ' A' ' 55' ' ' VAL . 9.6 m-70 -94.68 116.12 28.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.968 0.413 . . . . 0.0 111.425 -179.543 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.601 HD12 HG23 ' A' ' 95' ' ' ILE . 0.3 OUTLIER -106.86 109.89 21.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.701 179.333 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 mt -121.47 140.08 52.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.09 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -109.29 127.85 54.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.784 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.6 ttm -120.77 143.09 49.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -101.26 117.75 35.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.3 t -140.08 131.12 31.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.25 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.19 49.16 11.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 55.6 26.46 9.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.093 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -132.29 -175.74 3.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.743 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -130.72 127.89 39.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.082 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.17 128.01 55.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.722 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -109.92 120.01 41.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.038 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.738 ' HG ' HD11 ' A' ' 118' ' ' ILE . 3.1 tp -123.69 135.26 53.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.537 179.643 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.655 ' HB ' HD23 ' A' ' 119' ' ' LEU . 3.9 mp -113.82 141.06 31.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 0.0 111.487 -179.639 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.417 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 0.5 OUTLIER -114.49 144.15 43.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.51 179.781 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.932 HG13 ' CZ ' ' A' ' 80' ' ' PHE . 11.8 t -115.36 122.94 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 111.32 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.7 mp -130.05 143.35 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.984 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -117.05 139.01 51.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.51 21.31 16.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.3 m 57.28 73.9 0.44 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.823 0.344 . . . . 0.0 111.007 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -162.1 122.38 2.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 67.88 10.69 7.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.799 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 53.01 99.93 0.01 OUTLIER Glycine 0 C--N 1.333 0.368 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.864 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 76.6 m -103.97 122.93 46.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.313 . . . . 0.0 110.668 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -110.05 137.28 48.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.971 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.1 tp -123.12 137.29 57.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.454 0.645 . . . . 0.0 111.241 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.8 m120 63.21 29.67 15.97 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.764 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.66 10.75 72.04 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.861 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -134.06 152.04 51.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.839 0.352 . . . . 0.0 110.839 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 41.2 mtm-85 -60.99 139.24 58.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 113' ' ' VAL . 1.4 tt -89.86 121.56 32.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.419 ' N ' HD23 ' A' ' 112' ' ' LEU . 13.7 p -117.0 -38.51 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.106 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -59.53 170.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.82 -32.05 8.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -122.03 80.11 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.077 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.42 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 2.9 t80 -84.07 139.31 32.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.714 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.738 HD11 ' HG ' ' A' ' 94' ' ' LEU . 8.2 tp -98.5 119.39 46.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.065 0.459 . . . . 0.0 111.429 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.655 HD23 ' HB ' ' A' ' 95' ' ' ILE . 1.3 tp -103.08 135.19 45.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -133.04 178.14 7.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.49 ' HB2' ' CE2' ' A' ' 137' ' ' TYR . 1.4 t30 -56.59 137.14 54.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.034 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 74.71 45.37 22.49 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.429 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -116.36 127.05 54.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 111.022 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 20.3 mtt-85 -87.73 122.67 31.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.498 HG21 ' CZ ' ' A' ' 127' ' ' PHE . 3.2 mp -119.49 121.94 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.4 t -108.08 123.95 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.064 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.58 ' HB3' ' CE1' ' A' ' 77' ' ' HIS . 97.1 m-85 -114.08 122.77 47.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.793 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 92.23 -69.78 1.79 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.391 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt 173.62 -34.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.739 0.304 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 93.3 p -111.58 -36.78 5.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.283 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 8.9 m -64.46 108.06 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 111.054 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.5 t -124.11 121.0 33.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -123.4 156.04 36.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.98 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.435 HD23 ' HD3' ' A' ' 136' ' ' LYS . 4.1 tp -117.28 140.02 50.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.503 ' CG ' HD21 ' A' ' 119' ' ' LEU . 21.2 t80 -106.32 141.6 37.38 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-O 121.838 0.827 . . . . 0.0 111.667 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.435 ' HD3' HD23 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -154.48 157.32 38.22 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 113.979 -1.464 . . . . 0.0 111.192 -179.855 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.49 ' CE2' ' HB2' ' A' ' 121' ' ' ASN . 4.3 m-85 -86.09 140.02 30.61 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.96 0.409 . . . . 0.0 110.627 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.409 ' CB ' ' ND1' ' A' ' 36' ' ' HIS . . . . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.068 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 . . . . . 0 CA--C 1.537 0.454 0 N-CA-C 110.692 -0.114 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.23 128.72 22.77 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.742 0.306 . . . . 0.0 110.382 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -64.95 114.94 4.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.04 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.99 -40.21 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.782 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -140.86 170.02 24.68 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.427 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.684 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 31.2 m80 -131.84 164.33 26.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.86 0.362 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.572 HD23 ' HB ' ' A' ' 50' ' ' ILE . 2.5 mm? -123.78 134.77 53.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.662 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 133' ' ' PHE . 29.1 t -111.33 121.81 64.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -89.51 127.49 35.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.014 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 mp -93.42 106.54 18.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.907 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.427 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 39.4 mt -124.31 139.48 32.96 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.427 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 88.1 Cg_exo -47.31 92.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.419 2.079 . . . . 0.0 112.176 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.47 -111.69 3.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.075 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -57.34 143.04 41.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.757 0.313 . . . . 0.0 110.843 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -108.18 165.52 11.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -133.88 139.15 46.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -113.04 133.24 55.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.5 t -123.76 151.04 28.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.167 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -105.03 124.52 49.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.793 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.572 ' HB ' HD23 ' A' ' 37' ' ' LEU . 10.7 tt -116.12 132.17 66.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.013 0.435 . . . . 0.0 111.519 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.8 167.99 10.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.421 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.92 -87.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.282 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.527 ' C ' ' H ' ' A' ' 55' ' ' VAL . 12.0 ttt-85 72.88 -2.09 2.81 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 179.035 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.415 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 0.9 OUTLIER 71.23 -38.43 0.42 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.11 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.527 ' H ' ' C ' ' A' ' 53' ' ' ARG . 70.7 t -137.15 141.76 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.074 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.794 HG23 ' CB ' ' A' ' 65' ' ' ASP . 83.2 m -125.3 128.37 48.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.087 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.04 141.87 35.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.985 0.421 . . . . 0.0 111.274 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.705 HG13 ' HB3' ' A' ' 78' ' ' ALA . 6.1 mm -117.58 126.07 74.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.088 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 156.94 -160.32 30.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.692 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.495 ' HD3' HG22 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -97.87 -13.12 21.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.533 0.206 . . . . 0.0 111.193 -179.892 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.412 ' HB2' HG22 ' A' ' 75' ' ' THR . 0.2 OUTLIER -49.84 149.98 2.37 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.839 0.352 . . . . 0.0 111.13 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -71.31 -31.35 67.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.786 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.33 -18.1 43.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 3.3 m -54.07 155.22 3.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.77 0.319 . . . . 0.0 111.136 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.794 ' CB ' HG23 ' A' ' 56' ' ' THR . 0.3 OUTLIER -72.96 -57.93 3.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.729 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 t -110.58 127.57 67.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.156 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.5 pt -95.12 105.01 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.011 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.413 ' N ' HD22 ' A' ' 68' ' ' LEU . 3.3 mm? -61.01 -177.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.996 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 p -123.37 30.24 6.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.03 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.63 123.38 38.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.814 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -55.98 -18.99 24.29 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.498 2.132 . . . . 0.0 112.78 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -126.16 39.57 3.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.771 0.319 . . . . 0.0 111.187 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.495 HG22 ' HD3' ' A' ' 60' ' ' ARG . 3.9 tp -77.55 146.63 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.258 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.435 ' HB3' ' CG ' ' A' ' 77' ' ' HIS . 32.9 t -75.23 130.93 39.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.412 HG22 ' HB2' ' A' ' 61' ' ' SER . 1.7 m -61.45 -43.88 98.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 77' ' ' HIS . 98.3 m-85 -99.83 14.05 31.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.277 0.56 . . . . 0.0 111.575 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -20.25 -56.61 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.94 -179.288 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.705 ' HB3' HG13 ' A' ' 58' ' ' ILE . . . -152.68 163.95 38.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.102 0.477 . . . . 0.0 111.909 -179.404 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -141.64 122.06 14.06 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.51 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.679 ' HZ ' HD13 ' A' ' 125' ' ' ILE . 74.4 m-85 -119.32 131.21 55.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.141 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -94.73 116.23 28.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.754 0.311 . . . . 0.0 110.517 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 0.9 OUTLIER -106.59 109.54 21.48 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.137 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.11 140.05 53.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -106.33 135.63 47.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.75 120.15 9.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -83.94 133.62 34.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.2 t -140.01 124.63 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.019 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 74.48 -57.74 0.6 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.099 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.86 -41.78 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.813 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -83.38 155.41 23.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.712 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -85.71 127.92 34.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.997 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.72 115.13 29.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.668 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -113.97 125.25 53.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.957 0.408 . . . . 0.0 111.152 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.16 142.61 44.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.467 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.45 ' N ' HD12 ' A' ' 95' ' ' ILE . 4.4 mp -124.66 141.23 45.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.847 0.356 . . . . 0.0 111.393 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -114.01 144.03 43.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.491 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.569 HG13 ' CE1' ' A' ' 80' ' ' PHE . 43.9 t -109.47 122.48 64.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.011 0.434 . . . . 0.0 111.518 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.9 mp -130.26 120.88 50.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.469 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.596 ' HB2' HD13 ' A' ' 112' ' ' LEU . 81.1 m-20 -111.83 132.01 54.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.136 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.36 60.01 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.909 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.73 -175.5 2.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -112.19 -34.54 5.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -61.18 -71.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.255 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 161.03 127.29 0.88 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.499 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 61.0 m -131.98 125.96 32.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.816 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -120.98 129.86 53.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.74 HD13 HD12 ' A' ' 125' ' ' ILE . 3.3 tp -118.92 137.27 53.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 121.441 0.639 . . . . 0.0 111.259 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.7 m120 61.21 27.57 17.29 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.81 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.7 9.8 70.5 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.843 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -134.07 152.0 51.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -70.4 142.64 52.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.596 HD13 ' HB2' ' A' ' 99' ' ' ASP . 0.6 OUTLIER -72.94 137.15 45.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.0 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.57 HG13 ' HG3' ' A' ' 114' ' ' LYS . 12.0 p -111.99 -31.6 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.055 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.57 ' HG3' HG13 ' A' ' 113' ' ' VAL . 9.6 mttt -122.26 174.69 6.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.773 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.91 32.48 5.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -148.05 56.23 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.053 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.527 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 2.0 t80 -84.06 139.61 32.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.502 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.1 tp -97.99 121.39 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.063 0.459 . . . . 0.0 111.352 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.561 HD23 ' N ' ' A' ' 120' ' ' LYS . 8.7 tt -102.97 135.83 43.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.082 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.561 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -131.54 177.0 7.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.707 179.839 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.441 ' HB2' ' CE2' ' A' ' 137' ' ' TYR . 33.3 t-20 -54.59 136.61 44.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.605 ' HA2' HD21 ' A' ' 134' ' ' LEU . . . 76.11 47.89 10.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.459 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -114.72 128.11 56.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.819 0.342 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.479 ' CG ' HD12 ' A' ' 134' ' ' LEU . 5.7 mtm180 -103.99 131.3 51.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.74 HD12 HD13 ' A' ' 107' ' ' ILE . 13.3 tt -131.06 138.05 54.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.668 HG22 ' OG ' ' A' ' 132' ' ' SER . 34.6 t -114.53 123.91 70.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.215 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.442 ' HB3' ' CE1' ' A' ' 77' ' ' HIS . 61.0 m-85 -106.77 141.83 37.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.836 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.87 -64.21 1.21 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.483 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 16.1 pttp 175.8 -49.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.74 0.305 . . . . 0.0 111.235 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 84.9 p -100.32 -35.38 9.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.442 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 30.6 m -57.08 108.02 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 111.061 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.668 ' OG ' HG22 ' A' ' 126' ' ' VAL . 5.8 m -124.02 134.64 53.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.776 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.414 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 20.4 m-85 -140.39 156.1 46.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.975 0.417 . . . . 0.0 111.141 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.605 HD21 ' HA2' ' A' ' 122' ' ' GLY . 3.6 tt -126.36 140.1 52.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.794 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.562 ' N ' HD23 ' A' ' 134' ' ' LEU . 67.0 t80 -106.35 141.88 36.94 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 122.018 0.914 . . . . 0.0 111.854 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.469 ' CD ' HD22 ' A' ' 134' ' ' LEU . 0.3 OUTLIER -154.15 134.73 13.54 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 113.914 -1.494 . . . . 0.0 110.675 179.766 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.508 ' N ' ' CD1' ' A' ' 137' ' ' TYR . 0.5 OUTLIER -68.31 139.59 55.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.964 0.411 . . . . 0.0 110.75 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.684 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . . . . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.528 ' N ' HG21 ' A' ' 51' ' ' THR . 3.2 m-85 . . . . . 0 CA--C 1.533 0.327 0 CA-C-O 120.334 0.111 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.544 ' N ' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.38 128.86 22.73 Favored 'General case' 0 C--O 1.231 0.13 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.592 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.44 119.16 8.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.892 0.377 . . . . 0.0 111.08 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.651 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.9 OUTLIER -118.44 -38.97 3.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.661 179.801 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.47 ' C ' HG22 ' A' ' 50' ' ' ILE . . . -155.15 -169.3 19.52 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.296 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.512 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 52.0 m80 -146.38 162.1 38.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.971 0.415 . . . . 0.0 110.758 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.545 HD13 HG11 ' A' ' 66' ' ' VAL . 1.9 mt -127.23 107.87 10.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.748 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.588 HG22 ' HG3' ' A' ' 47' ' ' LYS . 20.3 t -98.83 121.89 49.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.563 ' O ' HD12 ' A' ' 41' ' ' ILE . 1.9 m-20 -89.75 120.83 31.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 mp -86.62 106.78 17.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.563 HD12 ' O ' ' A' ' 39' ' ' ASN . 2.8 mp -124.12 140.18 34.27 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.831 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.531 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 58.8 Cg_endo -74.5 89.16 1.11 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.151 1.9 . . . . 0.0 112.123 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.81 1.89 6.83 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.737 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.3 tttp 177.93 167.98 0.73 Allowed 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.788 0.327 . . . . 0.0 110.741 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -138.45 158.38 44.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.828 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.92 122.66 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.072 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.588 ' HG3' HG22 ' A' ' 38' ' ' VAL . 31.9 tttt -113.0 125.24 54.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.6 t -124.04 139.88 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.21 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -86.03 130.7 34.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.712 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.522 HG21 ' HE1' ' A' ' 135' ' ' PHE . 5.9 tt -116.12 132.06 66.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.042 0.449 . . . . 0.0 111.519 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.544 HG22 ' N ' ' A' ' 32' ' ' THR . 0.5 OUTLIER -102.1 168.14 9.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.416 179.781 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.09 -91.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.553 ' C ' ' H ' ' A' ' 55' ' ' VAL . 10.6 ttt180 72.8 -2.9 2.54 Favored 'General case' 0 N--CA 1.462 0.156 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.7 m120 70.4 -33.2 0.26 Allowed 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.553 ' H ' ' C ' ' A' ' 53' ' ' ARG . 64.8 t -136.17 138.59 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-O 121.041 0.448 . . . . 0.0 110.997 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.691 HG23 ' HB3' ' A' ' 65' ' ' ASP . 53.3 m -125.33 124.46 41.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.181 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.82 125.21 50.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 110.793 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.646 HG21 ' CE2' ' A' ' 127' ' ' PHE . 3.4 mp -107.84 125.02 64.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.18 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.63 -142.62 7.74 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.48 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.636 ' HD2' HG22 ' A' ' 73' ' ' ILE . 3.3 ttt85 -112.07 -23.74 10.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.717 0.294 . . . . 0.0 111.146 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.6 t -47.31 142.53 3.94 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.196 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.91 -22.43 66.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.7 m -86.22 -17.71 34.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.456 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 2.1 m -53.98 134.87 43.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.695 0.283 . . . . 0.0 111.117 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.691 ' HB3' HG23 ' A' ' 56' ' ' THR . 8.0 t70 -61.51 -44.8 96.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.904 0.383 . . . . 0.0 110.627 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.545 HG11 HD13 ' A' ' 37' ' ' LEU . 22.7 t -124.79 113.6 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.007 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.5 pt -96.01 130.04 45.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.221 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.842 HD13 HD11 ' A' ' 73' ' ' ILE . 0.6 OUTLIER -89.13 -177.2 5.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.81 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.2 m -120.64 59.26 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.21 121.31 22.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.782 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.46 -21.86 25.42 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.456 2.104 . . . . 0.0 112.611 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -123.01 35.02 4.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.069 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.842 HD11 HD13 ' A' ' 68' ' ' LEU . 2.4 tp -76.72 132.14 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.254 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.3 m -62.47 131.66 49.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.285 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.9 m -67.74 -43.93 78.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.905 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.462 ' O ' ' C ' ' A' ' 77' ' ' HIS . 3.5 m-85 -96.42 13.8 26.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.221 0.534 . . . . 0.0 111.334 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.462 ' C ' ' O ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -17.25 -73.71 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.572 -1.195 . . . . 0.0 112.952 -179.358 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -159.79 164.06 34.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.009 0.433 . . . . 0.0 111.917 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -126.6 131.4 51.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.554 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.891 ' CZ ' HG13 ' A' ' 97' ' ' VAL . 5.0 m-85 -119.32 131.19 55.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.742 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -94.77 116.26 28.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.874 0.369 . . . . 0.0 111.257 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -106.79 109.53 21.46 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.765 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.22 139.53 53.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.18 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -129.08 128.86 44.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.766 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.28 132.43 20.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.982 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -107.07 138.29 43.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.764 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.4 p -140.04 137.79 38.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.208 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 67.93 -67.73 0.18 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.031 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 178.75 39.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.793 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -152.28 131.13 12.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.765 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -82.93 127.98 34.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.2 ttm-85 -115.79 110.94 19.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.625 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.408 ' OD1' HD11 ' A' ' 34' ' ' LEU . 5.9 m-80 -112.77 124.98 53.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.6 mp -131.98 137.24 47.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.712 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.473 ' N ' HD12 ' A' ' 95' ' ' ILE . 4.4 mp -118.85 137.7 51.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.272 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.549 ' OD1' HD11 ' A' ' 98' ' ' ILE . 19.6 t-20 -114.58 144.11 43.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.711 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.891 HG13 ' CZ ' ' A' ' 80' ' ' PHE . 21.7 t -107.32 135.08 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.451 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.549 HD11 ' OD1' ' A' ' 96' ' ' ASN . 24.6 mm -127.59 120.89 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.832 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.639 ' HB3' HD13 ' A' ' 112' ' ' LEU . 2.3 p30 -106.79 138.98 41.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.0 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -171.45 45.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -120.04 -176.31 3.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.97 -30.11 8.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.98 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -58.21 -75.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.224 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.58 128.69 2.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.474 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.747 ' HB ' HD12 ' A' ' 112' ' ' LEU . 4.0 m -127.6 123.09 34.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 0.0 110.799 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.431 ' CE2' ' HB3' ' A' ' 111' ' ' ARG . 8.0 m-85 -109.25 130.67 55.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.654 HG22 ' HG ' ' A' ' 112' ' ' LEU . 3.8 tp -123.08 137.27 57.08 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-O 121.484 0.659 . . . . 0.0 111.367 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.7 m120 60.22 35.5 20.96 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.791 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.75 13.14 74.95 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.83 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -133.82 151.63 51.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.862 0.363 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.431 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -69.16 142.92 54.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.747 HD12 ' HB ' ' A' ' 105' ' ' THR . 3.8 mt -70.93 120.3 16.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 114' ' ' LYS . 11.4 p -122.81 -43.83 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.466 ' N ' HG13 ' A' ' 113' ' ' VAL . 4.0 mtmt -69.32 175.05 4.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.49 -29.26 8.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.047 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -118.84 76.27 1.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.951 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.428 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 0.8 OUTLIER -84.03 139.14 32.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.871 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.568 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.5 tp -98.41 116.43 41.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.1 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.644 HD21 ' CD2' ' A' ' 135' ' ' PHE . 3.8 tt -103.03 131.63 49.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.042 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.96 178.05 6.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.782 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 4.4 p-10 -61.37 141.26 57.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.95 51.49 23.69 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.515 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.528 ' C ' HD12 ' A' ' 134' ' ' LEU . 4.6 m-20 -121.84 127.17 50.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.811 0.338 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.469 ' O ' HD12 ' A' ' 107' ' ' ILE . 1.3 mtt180 -81.01 128.6 33.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.733 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.421 ' HB ' ' CE1' ' A' ' 133' ' ' PHE . 2.9 mp -127.24 138.01 56.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.2 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 38.0 t -123.35 133.94 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.079 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.646 ' CE2' HG21 ' A' ' 58' ' ' ILE . 5.2 m-85 -123.39 138.32 54.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.014 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 78.9 -65.82 3.47 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.483 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.9 pttm 172.42 -35.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.72 0.295 . . . . 0.0 111.036 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.19 -39.14 4.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.55 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 32.0 m -55.96 106.93 0.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.891 0.377 . . . . 0.0 111.197 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.4 m -124.3 128.09 48.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.85 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.421 ' CE1' ' HB ' ' A' ' 125' ' ' ILE . 16.2 p90 -141.98 156.05 45.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.917 0.389 . . . . 0.0 111.169 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.528 HD12 ' C ' ' A' ' 123' ' ' ASP . 4.3 tp -113.42 140.05 48.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.644 ' CD2' HD21 ' A' ' 119' ' ' LEU . 65.3 t80 -102.13 141.7 34.55 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.972 0.891 . . . . 0.0 111.82 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -154.35 151.75 29.42 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 113.874 -1.512 . . . . 0.0 110.802 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.439 ' N ' ' CD1' ' A' ' 137' ' ' TYR . 0.8 OUTLIER -82.74 139.81 33.4 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.009 0.433 . . . . 0.0 110.877 179.803 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.512 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . . . . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.843 0.354 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.55 168.28 20.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -136.19 32.52 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -150.84 128.98 11.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.14 154.13 42.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.4 p 59.25 -179.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -118.84 115.96 25.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.43 ' CB ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -94.68 -54.09 0.23 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.083 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.43 ' HD3' ' CB ' ' A' ' 26' ' ' LYS . 32.5 Cg_exo -57.85 159.01 18.8 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.444 2.096 . . . . 0.0 112.323 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.49 115.34 2.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.1 m -158.68 173.55 16.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 60.56 45.3 10.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.467 ' N ' HG21 ' A' ' 51' ' ' THR . 0.5 OUTLIER -57.92 -94.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.049 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.558 ' N ' HG22 ' A' ' 51' ' ' THR . 0.7 OUTLIER -140.32 129.82 24.1 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.747 0.308 . . . . 0.0 110.598 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.0 t -59.67 145.03 46.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.029 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.469 HD11 ' CG ' ' A' ' 93' ' ' ASN . 0.7 OUTLIER -159.14 -58.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -134.25 171.5 22.17 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.788 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.637 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 42.8 m80 -140.6 164.87 29.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.905 0.383 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 1.137 HD11 HD11 ' A' ' 50' ' ' ILE . 2.1 mt -125.78 123.01 37.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.619 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -105.69 121.85 58.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.189 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -89.97 117.27 28.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.789 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -85.35 106.61 16.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.647 HG22 ' HD2' ' A' ' 42' ' ' PRO . 1.7 mt -124.18 141.15 36.53 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.612 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.647 ' HD2' HG22 ' A' ' 41' ' ' ILE . 60.8 Cg_endo -74.55 -2.29 12.22 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.233 1.956 . . . . 0.0 112.743 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -127.74 2.34 6.95 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.676 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.96 -164.53 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.752 0.31 . . . . 0.0 110.55 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -153.73 156.17 37.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.785 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -137.23 130.38 30.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -113.2 127.66 56.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.742 HG11 HG22 ' A' ' 66' ' ' VAL . 22.0 t -114.32 150.9 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.016 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -102.32 131.13 49.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.02 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.137 HD11 HD11 ' A' ' 37' ' ' LEU . 49.0 mm -110.79 123.45 66.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.558 HG22 ' N ' ' A' ' 32' ' ' THR . 0.3 OUTLIER -104.05 168.38 9.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.242 -179.768 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.545 ' HA ' HD12 ' A' ' 82' ' ' LEU . 35.5 m-80 -80.46 60.68 3.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.354 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.565 ' C ' ' H ' ' A' ' 55' ' ' VAL . 4.9 ttt180 -86.41 -0.38 55.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.843 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.429 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 1.5 t30 72.07 -35.16 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -178.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.565 ' H ' ' C ' ' A' ' 53' ' ' ARG . 67.5 t -137.14 134.05 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.555 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.8 HG23 ' CB ' ' A' ' 65' ' ' ASP . 59.6 m -125.21 131.31 53.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.148 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.422 ' N ' ' HB2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.83 138.65 40.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.925 0.393 . . . . 0.0 111.287 -179.578 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.475 HD12 ' N ' ' A' ' 58' ' ' ILE . 4.4 mp -129.42 127.03 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.055 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.11 -141.21 6.66 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.549 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.529 ' HG3' HG22 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -101.7 -29.24 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.832 0.348 . . . . 0.0 111.038 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.69 ' HB2' HG23 ' A' ' 75' ' ' THR . 0.3 OUTLIER -54.26 123.43 12.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 -179.835 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.404 ' HA ' HG21 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -59.7 -27.58 66.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.9 m -69.89 -28.72 65.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.776 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.1 m -55.61 167.71 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.698 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.8 ' CB ' HG23 ' A' ' 56' ' ' THR . 0.5 OUTLIER -70.97 -58.0 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.006 0.432 . . . . 0.0 110.692 179.807 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.786 HG21 ' CD1' ' A' ' 37' ' ' LEU . 25.4 t -112.31 120.54 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.078 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.404 HG21 ' HA ' ' A' ' 62' ' ' ARG . 2.1 pt -102.28 104.95 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.049 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.576 HD12 HD11 ' A' ' 73' ' ' ILE . 87.1 mt -67.65 -177.69 0.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.3 m -118.81 41.2 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.17 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.401 ' CB ' ' HB ' ' A' ' 73' ' ' ILE . 0.6 OUTLIER -104.77 134.02 19.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.604 179.809 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.12 -13.95 41.6 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.488 2.125 . . . . 0.0 112.731 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -133.03 33.55 3.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.672 0.273 . . . . 0.0 111.19 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.576 HD11 HD12 ' A' ' 68' ' ' LEU . 5.2 tp -77.8 124.35 36.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.997 0.427 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.6 m -55.69 133.3 50.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.372 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.69 HG23 ' HB2' ' A' ' 61' ' ' SER . 84.1 m -62.16 -43.72 98.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.716 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.469 ' O ' ' C ' ' A' ' 77' ' ' HIS . 4.5 m-85 -101.6 13.82 33.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.399 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.469 ' C ' ' O ' ' A' ' 76' ' ' PHE . 12.4 t-80 -17.02 -65.02 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.681 -1.145 . . . . 0.0 112.702 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.811 ' HB3' ' CE2' ' A' ' 127' ' ' PHE . . . -155.98 163.98 39.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.138 0.494 . . . . 0.0 111.881 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -126.65 139.34 53.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.264 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.49 ' CE1' HG13 ' A' ' 97' ' ' VAL . 2.4 m-85 -119.46 130.34 55.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.725 0.297 . . . . 0.0 111.025 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.463 ' HB2' ' HB3' ' A' ' 96' ' ' ASN . 11.5 m170 -95.08 116.99 29.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.872 0.368 . . . . 0.0 111.137 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.747 HD22 ' CD1' ' A' ' 95' ' ' ILE . 0.4 OUTLIER -105.39 109.43 21.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.422 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.1 tt -122.24 140.11 52.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.274 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -128.87 120.96 27.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.692 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.5 ttt -129.78 146.79 51.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -107.11 124.76 50.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.7 p -138.01 134.37 44.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 74.61 -58.38 0.58 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -174.74 -40.25 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.776 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -85.9 -176.41 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.738 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -118.47 127.99 54.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -109.03 118.15 36.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.695 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.469 ' CG ' HD11 ' A' ' 34' ' ' LEU . 3.5 m-80 -107.93 143.24 36.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.197 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.65 HD23 HD11 ' A' ' 118' ' ' ILE . 1.6 mp -129.87 144.37 51.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.559 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.747 ' CD1' HD22 ' A' ' 82' ' ' LEU . 10.6 mm -121.01 137.54 54.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.241 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.463 ' HB3' ' HB2' ' A' ' 81' ' ' HIS . 25.3 t30 -120.87 134.8 55.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.711 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.49 HG13 ' CE1' ' A' ' 80' ' ' PHE . 13.4 t -102.2 131.94 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.17 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 31.6 mt -129.67 120.99 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.991 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.5 ' OD2' HD22 ' A' ' 112' ' ' LEU . 97.3 m-20 -109.04 124.45 50.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -16.58 63.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.13 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m 68.47 99.63 0.06 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -168.97 -63.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -85.52 -69.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.254 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 154.29 109.18 0.34 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.464 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 52.3 m -121.8 126.77 49.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.765 0.317 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -118.5 130.09 55.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.001 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 124' ' ' ARG . 3.2 tp -122.16 137.37 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.478 0.656 . . . . 0.0 111.219 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.8 m120 62.25 29.36 17.38 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.79 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.76 13.09 74.98 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.844 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -133.58 152.12 51.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.829 0.347 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -71.07 139.61 50.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' A' ' 117' ' ' TYR . 4.2 tp -87.57 135.85 33.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.446 HG13 ' N ' ' A' ' 114' ' ' LYS . 11.7 p -121.59 -42.55 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.446 ' N ' HG13 ' A' ' 113' ' ' VAL . 2.0 mtpt -76.36 162.8 27.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -106.71 30.38 6.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -160.52 63.36 0.32 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.633 ' HB2' HD11 ' A' ' 112' ' ' LEU . 13.3 t80 -84.11 137.8 33.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.712 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.65 HD11 HD23 ' A' ' 94' ' ' LEU . 8.4 tp -98.66 118.05 44.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-O 120.962 0.41 . . . . 0.0 111.446 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.712 HD21 ' CD2' ' A' ' 135' ' ' PHE . 0.8 OUTLIER -103.17 137.58 41.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.966 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.41 178.06 6.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.722 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.451 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 0.3 OUTLIER -56.11 141.02 42.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.183 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.91 51.37 24.46 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.449 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.57 ' C ' HD12 ' A' ' 134' ' ' LEU . 1.2 m-20 -125.44 121.67 34.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 111.055 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.612 ' HG2' HD13 ' A' ' 134' ' ' LEU . 7.7 mtt85 -81.35 132.46 35.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.719 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.516 HD11 HD11 ' A' ' 119' ' ' LEU . 1.5 mp -127.6 138.05 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.419 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.609 HG22 ' OG ' ' A' ' 132' ' ' SER . 22.0 t -123.88 123.95 68.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.887 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.811 ' CE2' ' HB3' ' A' ' 78' ' ' ALA . 3.1 m-85 -111.91 122.97 49.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.12 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 92.71 -70.19 1.63 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.558 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 175.57 -36.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.768 0.318 . . . . 0.0 111.091 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 84.1 p -108.34 -42.61 4.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.345 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 21.7 m -56.35 107.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.36 . . . . 0.0 111.064 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.609 ' OG ' HG22 ' A' ' 126' ' ' VAL . 0.4 OUTLIER -124.19 128.23 48.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.811 179.821 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.412 ' CE2' ' HB ' ' A' ' 125' ' ' ILE . 13.3 p90 -142.14 155.16 45.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.066 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.612 HD13 ' HG2' ' A' ' 124' ' ' ARG . 11.0 tp -112.08 140.01 47.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.714 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.712 ' CD2' HD21 ' A' ' 119' ' ' LEU . 84.4 t80 -105.29 141.42 36.85 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.872 0.844 . . . . 0.0 111.995 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -154.48 140.73 18.57 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 113.818 -1.537 . . . . 0.0 110.67 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.451 ' CE2' ' HB3' ' A' ' 121' ' ' ASN . 12.8 m-85 -71.89 140.06 49.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.066 0.46 . . . . 0.0 110.615 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.637 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . . . -91.56 -28.66 17.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.136 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 61.0 m 63.17 -79.79 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.061 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.5 t -157.69 -60.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 38.8 t -162.52 109.56 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 68.7 m -64.42 169.47 4.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.21 162.4 24.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.15 165.48 21.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.591 ' O ' HG22 ' A' ' 145' ' ' ILE . 3.2 mp -102.64 24.97 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 CA-C-O 121.651 0.739 . . . . 0.0 111.257 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -86.49 -36.62 18.9 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.55 -1.204 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -130.2 32.23 4.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -126.93 89.16 2.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.35 149.9 33.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -113.58 104.22 12.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -90.85 145.08 25.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 9.3 m -81.86 120.68 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 15.0 t -171.51 -46.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 49.1 m -106.08 26.91 9.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 56.33 78.08 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.995 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.39 -45.05 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.816 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -134.77 -174.87 3.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 66.6 m -152.76 32.83 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.813 0.339 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 29.3 mm -105.39 113.94 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' TPO . . . . . 0.582 ' O3P' HG22 ' B' ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -66.02 132.6 94.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -56.08 -165.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.466 2.11 . . . . 0.0 112.235 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' TPO . . . . . 0.479 HG23 ' N ' ' B' ' 9' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.479 ' N ' HG23 ' B' ' 8' ' ' TPO . 0.9 OUTLIER -140.93 173.27 11.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -86.95 161.56 18.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 5.0 m -124.33 170.14 11.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.845 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.808 0.337 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 61.69 30.41 18.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -148.12 -43.73 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.165 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -156.9 145.36 19.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.966 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -117.47 -176.54 3.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.41 97.48 3.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -148.22 131.64 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -117.1 95.65 47.55 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -57.87 140.97 95.61 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.559 2.173 . . . . 0.0 112.208 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -70.76 67.63 0.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 98.0 p -178.12 -54.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 62.17 32.15 17.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.749 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.433 ' HB2' ' CG2' ' A' ' 51' ' ' THR . 28.2 m-85 -122.65 -123.09 0.27 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.582 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.24 129.82 24.22 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-O 120.76 0.314 . . . . 0.0 110.47 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.99 140.84 56.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.015 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tp -138.04 -45.78 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.803 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.764 ' O ' HG22 ' A' ' 50' ' ' ILE . . . -159.78 -174.8 30.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.478 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.417 ' CD2' ' HA ' ' A' ' 49' ' ' GLU . 43.1 m80 -143.15 159.84 41.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.957 0.408 . . . . 0.0 110.996 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.588 ' CD1' HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -127.28 108.3 10.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.55 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.532 HG22 ' HG3' ' A' ' 47' ' ' LYS . 24.5 t -99.81 121.82 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.323 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.474 ' OD1' HD11 ' A' ' 68' ' ' LEU . 32.6 m-80 -90.15 131.67 35.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.751 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.471 ' O ' HD13 ' A' ' 41' ' ' ILE . 1.2 mp -97.99 106.89 19.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.471 HD13 ' O ' ' A' ' 40' ' ' LEU . 27.7 mm -123.43 134.54 25.29 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.986 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -51.21 -25.57 17.76 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.52 2.147 . . . . 0.0 112.669 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.467 ' H ' HG22 ' A' ' 41' ' ' ILE . . . -87.04 -27.2 29.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.611 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.3 tttm 176.32 -168.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.798 0.332 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -131.45 164.89 24.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.729 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.93 118.04 6.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.532 ' HG3' HG22 ' A' ' 38' ' ' VAL . 14.6 ttmm -107.94 124.57 50.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.7 t -120.49 137.59 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.417 ' HA ' ' CD2' ' A' ' 36' ' ' HIS . 4.1 tm-20 -82.04 137.67 35.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.705 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.764 HG22 ' O ' ' A' ' 35' ' ' GLY . 2.3 tt -116.0 132.13 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.075 0.464 . . . . 0.0 111.351 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.433 ' CG2' ' HB2' ' A' ' 31' ' ' TYR . 0.5 OUTLIER -106.96 168.07 9.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.853 -179.77 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -74.28 64.78 1.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.516 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.538 ' C ' ' H ' ' A' ' 55' ' ' VAL . 13.8 ttt180 -80.42 -0.18 36.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.946 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.414 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 54.7 t30 71.81 -35.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -178.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.538 ' H ' ' C ' ' A' ' 53' ' ' ARG . 61.5 t -137.25 137.15 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.546 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.489 HG23 ' CG ' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -125.25 120.3 30.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.98 179.576 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.407 ' C ' HD12 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -103.6 128.58 50.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.987 0.422 . . . . 0.0 111.243 -179.303 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.784 HG21 ' CE2' ' A' ' 127' ' ' PHE . 3.3 mp -115.52 126.1 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.432 ' HA2' HG13 ' A' ' 73' ' ' ILE . . . 165.74 -133.13 2.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.405 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.836 ' HG2' HG22 ' B' ' 5' ' ' TPO . 0.1 OUTLIER -117.43 -28.19 6.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.699 0.285 . . . . 0.0 111.203 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.692 ' HB2' HG23 ' A' ' 75' ' ' THR . 0.1 OUTLIER -46.56 125.49 7.09 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.17 -179.742 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -55.38 -27.45 47.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.822 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 m -76.88 -23.41 52.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.201 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 69.4 m -54.13 160.23 1.63 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.723 0.297 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.509 ' OD1' HG23 ' A' ' 66' ' ' VAL . 7.7 t0 -74.72 -56.34 4.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.12 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.588 HG11 ' CD1' ' A' ' 37' ' ' LEU . 19.6 t -125.08 133.18 70.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.689 -179.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.8 pt -98.83 131.01 46.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.502 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.474 HD11 ' OD1' ' A' ' 39' ' ' ASN . 0.3 OUTLIER -128.25 133.94 48.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 111.507 -179.519 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.62 ' O ' ' HB2' ' A' ' 70' ' ' GLU . 0.6 OUTLIER 67.52 -69.45 0.14 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.636 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.62 ' HB2' ' O ' ' A' ' 69' ' ' SER . 0.0 OUTLIER 98.73 -64.63 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.718 0 O-C-N 124.258 0.974 . . . . 0.0 112.15 179.415 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.603 ' HD3' ' HB3' ' A' ' 70' ' ' GLU . 35.8 Cg_exo -59.84 -40.06 66.57 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.057 1.838 . . . . 0.0 113.428 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -116.47 32.66 6.0 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.434 ' CG2' ' HB2' ' A' ' 60' ' ' ARG . 4.4 tp -108.97 131.43 59.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.954 0.407 . . . . 0.0 111.382 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' A' ' 77' ' ' HIS . 66.3 m -78.27 134.09 37.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.182 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.692 HG23 ' HB2' ' A' ' 61' ' ' SER . 88.3 m -57.48 -32.77 67.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.781 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 77' ' ' HIS . 1.7 m-85 -112.11 14.05 20.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.417 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.463 ' CD2' ' CD1' ' A' ' 127' ' ' PHE . 12.3 t60 -27.15 -70.99 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.794 -1.094 . . . . 0.0 112.731 -179.075 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -147.79 164.07 34.77 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -135.75 130.54 34.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.984 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.901 ' CZ ' HG13 ' A' ' 97' ' ' VAL . 6.5 m-85 -119.3 131.18 55.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.143 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.414 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 13.9 m-70 -94.85 116.58 28.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.096 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.36 109.77 21.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 15.6 mt -122.12 140.03 53.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.961 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.37 135.6 54.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.819 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -151.99 144.51 24.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.977 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -101.03 128.72 46.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.423 HG12 ' HB2' ' A' ' 92' ' ' ARG . 12.1 p -139.7 135.13 39.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 t0 60.13 40.96 17.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.3 t30 60.2 31.26 20.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -142.23 158.2 44.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -86.52 127.94 34.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.423 ' HB2' HG12 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -114.97 117.66 31.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -110.33 124.19 51.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.996 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.401 ' CD1' ' HG3' ' A' ' 92' ' ' ARG . 1.3 mp -129.71 125.74 36.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.759 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.502 HD13 HD23 ' A' ' 119' ' ' LEU . 4.2 mp -112.96 137.19 46.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.226 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -114.01 125.5 54.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.645 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.901 HG13 ' CZ ' ' A' ' 80' ' ' PHE . 21.3 t -95.96 135.02 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.41 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.4 mm -121.01 143.66 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.823 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -105.47 116.76 32.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.011 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -143.69 31.15 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.793 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.422 ' OG ' ' CG ' ' A' ' 77' ' ' HIS . 16.8 m -102.96 161.08 14.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.037 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.85 -29.78 7.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.729 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -74.22 -63.83 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.277 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 167.57 134.58 1.73 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.634 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.404 HG23 ' HD1' ' A' ' 127' ' ' PHE . 90.0 m -132.12 122.96 26.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.614 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -118.56 124.7 48.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.041 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.829 HG21 HD12 ' A' ' 112' ' ' LEU . 3.0 tp -123.1 137.24 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.526 0.679 . . . . 0.0 111.321 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.8 m120 59.27 27.83 16.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.789 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.63 9.27 69.17 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.814 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -134.07 152.06 51.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.805 0.336 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.37 133.89 47.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.829 HD12 HG21 ' A' ' 107' ' ' ILE . 0.9 OUTLIER -77.12 141.47 40.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.761 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 15.9 m -154.74 153.55 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.301 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 70.77 6.76 5.97 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.616 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? 46.47 -169.79 0.01 OUTLIER 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.949 0.404 . . . . 0.0 111.344 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.1 t70 52.91 48.03 23.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.284 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.411 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 39.6 t80 -84.1 138.51 33.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.78 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.534 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.4 tp -98.63 119.24 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.339 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.619 HD11 HD11 ' A' ' 125' ' ' ILE . 5.0 tt -103.24 144.71 30.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -132.68 178.05 7.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.754 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 11.6 p-10 -61.01 147.97 41.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 66.83 43.01 92.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -112.92 136.36 52.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.32 . . . . 0.0 110.94 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.443 ' O ' HD12 ' A' ' 107' ' ' ILE . 0.0 OUTLIER -93.84 119.85 33.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.619 HD11 HD11 ' A' ' 119' ' ' LEU . 2.3 mt -115.04 132.09 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.062 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 29.5 t -124.02 133.97 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.305 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.784 ' CE2' HG21 ' A' ' 58' ' ' ILE . 7.1 m-85 -118.16 142.66 47.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.53 -64.77 0.81 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.527 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 171.74 -37.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.795 0.331 . . . . 0.0 110.983 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 68.9 p -104.08 -43.15 5.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.331 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 79.6 m -53.17 104.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.851 0.358 . . . . 0.0 111.265 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.2 m -124.5 132.33 53.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.918 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.449 ' CZ ' ' CG2' ' A' ' 125' ' ' ILE . 2.6 p90 -142.04 156.23 45.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.218 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 5.9 tp -114.98 134.0 55.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.704 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.588 ' HE1' HG21 ' A' ' 50' ' ' ILE . 93.0 t80 -108.99 141.55 40.93 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 121.991 0.9 . . . . 0.0 111.757 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp -154.57 148.86 26.05 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-N 113.822 -1.535 . . . . 0.0 110.806 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.478 ' N ' ' CD1' ' A' ' 137' ' ' TYR . 1.0 OUTLIER -74.42 139.77 44.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.991 0.425 . . . . 0.0 110.717 179.715 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -128.52 99.39 5.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.173 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.1 m -144.04 -48.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 2.0 m -161.93 149.93 14.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.953 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 57.3 p -141.71 117.65 10.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 52.3 p -164.58 -44.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 1.1 p -84.54 146.67 27.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.01 -17.88 15.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.605 ' O ' HG22 ' A' ' 145' ' ' ILE . 18.3 mt -100.21 25.04 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.354 0 CA-C-O 121.685 0.755 . . . . 0.0 111.508 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -159.64 32.56 0.19 Allowed 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -145.15 -47.62 0.23 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -130.75 34.84 4.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -132.89 120.29 21.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -148.95 -67.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -116.38 173.0 6.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 23.9 m -147.29 139.07 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.178 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 31.3 t -100.96 146.07 27.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 41.0 t -123.19 -44.9 2.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -137.98 154.55 49.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 1.1 m 60.33 101.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -125.1 31.59 5.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 48.4 t -145.78 31.52 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.934 179.942 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 t30 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.852 0.358 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 9.2 tp -147.65 150.64 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' TPO . . . . . 0.836 HG22 ' HG2' ' A' ' 60' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.406 ' HB3' ' HD2' ' B' ' 7' ' ' PRO . 2.5 mt-30 -114.82 156.46 44.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.715 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' B' ' 6' ' ' GLN . 18.3 Cg_endo -59.48 -166.34 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.494 2.129 . . . . 0.0 112.158 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -125.44 -173.97 2.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.824 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -78.15 159.47 28.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.07 134.29 27.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.4 t . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.89 179.911 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.849 0.357 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.0 mmt85 -124.74 31.55 5.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -122.88 38.31 4.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -130.01 168.67 16.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 60.19 177.64 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -92.79 172.09 8.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -154.72 128.09 8.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.49 153.43 38.57 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.787 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.54 154.72 68.24 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.559 2.173 . . . . 0.0 112.304 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.1 m -67.39 95.77 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m -155.17 140.37 17.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.434 ' C ' ' CG ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -78.37 166.79 22.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.434 ' CG ' ' C ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER 62.53 120.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.44 0.638 . . . . 0.0 110.74 -179.626 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.3 131.5 42.74 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.636 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.8 t -59.99 120.62 10.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.004 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.53 HD22 ' OD1' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -116.43 -39.79 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.73 179.851 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.93 154.0 20.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.379 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.647 ' CD2' ' HB2' ' A' ' 138' ' ' ALA . 24.1 m-70 -118.92 161.68 19.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 111.034 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 1.093 HD12 HD11 ' A' ' 50' ' ' ILE . 17.7 mt -126.64 119.17 26.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.777 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.95 121.95 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.065 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -90.11 133.99 34.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.5 mt -117.48 107.02 13.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.401 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 2.8 mp -123.16 138.92 30.63 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.074 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.401 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 54.3 Cg_exo -52.11 90.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.512 2.141 . . . . 0.0 112.312 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.49 40.63 4.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 tttt 179.46 176.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 110.935 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -169.43 144.72 3.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -147.72 136.54 21.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -106.85 125.02 50.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.615 HG11 HG13 ' A' ' 66' ' ' VAL . 22.0 t -116.97 118.78 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.056 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.0 138.71 44.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.956 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.093 HD11 HD12 ' A' ' 37' ' ' LEU . 31.1 mm -113.93 125.23 71.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.567 ' O ' HD23 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -104.61 167.8 9.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.797 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -76.3 63.52 1.94 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.093 0.473 . . . . 0.0 110.659 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.541 ' C ' ' H ' ' A' ' 55' ' ' VAL . 15.7 ttt180 -83.87 2.25 39.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.605 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 71.66 -36.87 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -179.015 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.541 ' H ' ' C ' ' A' ' 53' ' ' ARG . 67.0 t -137.33 138.33 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.095 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.666 HG23 ' HB3' ' A' ' 65' ' ' ASP . 37.9 m -125.36 121.67 34.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.923 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.73 123.68 47.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.046 0.45 . . . . 0.0 111.031 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.3 mt -111.86 116.72 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.095 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.29 -149.88 11.07 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.419 ' HB2' ' CG2' ' A' ' 73' ' ' ILE . 0.8 OUTLIER -94.91 -25.73 16.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.655 0.264 . . . . 0.0 111.251 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.14 150.21 0.85 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.88 0.371 . . . . 0.0 111.368 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -39.14 61.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.749 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.07 -14.7 62.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.326 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 15.1 m -52.98 137.06 33.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.751 0.31 . . . . 0.0 111.122 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.666 ' HB3' HG23 ' A' ' 56' ' ' THR . 8.5 t70 -61.2 -42.98 99.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.731 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.615 HG13 HG11 ' A' ' 48' ' ' VAL . 21.6 t -124.16 125.89 71.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.031 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.3 pt -100.65 127.17 54.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.895 HD21 ' CZ ' ' A' ' 133' ' ' PHE . 0.5 OUTLIER -81.04 -165.79 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.1 p -136.32 23.45 3.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.495 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.444 ' HG2' HD13 ' A' ' 73' ' ' ILE . 10.9 pt-20 -116.44 132.55 23.27 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-O 120.54 0.209 . . . . 0.0 110.838 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 24.5 Cg_exo -63.35 -13.52 36.52 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.669 2.246 . . . . 0.0 113.155 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -106.44 29.53 6.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.67 0.271 . . . . 0.0 111.208 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.444 HD13 ' HG2' ' A' ' 70' ' ' GLU . 5.4 tp -89.26 126.36 42.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.938 0.399 . . . . 0.0 111.227 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 77' ' ' HIS . 0.9 OUTLIER -69.92 134.06 47.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.233 -179.581 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 m -60.01 -31.5 69.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.838 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 77' ' ' HIS . 2.2 m-85 -112.05 14.03 20.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.259 0.552 . . . . 0.0 111.467 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 127' ' ' PHE . 5.1 t-80 -24.37 -68.87 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.676 -1.147 . . . . 0.0 112.619 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -150.37 158.28 43.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.098 0.475 . . . . 0.0 111.984 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.526 ' O ' HD12 ' A' ' 98' ' ' ILE . 3.1 mt-10 -130.27 133.38 46.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.272 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.913 ' CE2' HG22 ' A' ' 97' ' ' VAL . 9.6 m-85 -119.31 131.06 55.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.132 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -95.57 116.36 28.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.918 0.389 . . . . 0.0 111.035 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.896 HD22 HG22 ' A' ' 50' ' ' ILE . 11.7 tp -106.51 109.74 21.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.1 mt -122.11 140.02 53.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.956 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -119.94 127.11 52.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.763 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.19 149.5 34.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.813 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -105.23 115.99 31.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.1 m -114.13 132.48 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 t70 74.87 -58.58 0.57 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.053 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -174.55 -39.74 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.88 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -86.52 157.2 19.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.786 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -86.89 129.54 34.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.067 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.37 126.15 53.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.732 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.53 ' OD1' HD22 ' A' ' 34' ' ' LEU . 3.7 m120 -110.95 124.51 52.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.161 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.6 mp -118.33 145.25 45.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.512 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.449 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.7 mp -127.26 141.04 47.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.854 0.359 . . . . 0.0 111.25 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -114.95 144.09 44.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.607 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.913 HG22 ' CE2' ' A' ' 80' ' ' PHE . 21.2 t -114.29 127.71 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.295 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 79' ' ' GLU . 3.5 mt -122.56 122.54 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.748 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.822 ' OD2' HD21 ' A' ' 112' ' ' LEU . 6.3 m-20 -107.62 128.23 54.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.226 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.12 34.82 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.759 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.25 -168.84 2.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.959 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -109.96 -35.54 6.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -81.87 -54.22 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 137.47 150.07 5.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.688 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.555 HG21 ' CE1' ' A' ' 127' ' ' PHE . 90.3 m -132.09 139.03 48.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.727 0.298 . . . . 0.0 110.687 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -119.39 138.74 52.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.012 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.821 HG22 HD22 ' A' ' 112' ' ' LEU . 3.0 tp -122.93 137.39 56.57 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 CA-C-O 121.576 0.703 . . . . 0.0 111.224 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.8 m120 60.85 30.65 19.78 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.63 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.74 12.1 73.97 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.841 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -134.04 146.35 50.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.845 0.355 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.98 131.11 40.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.822 HD21 ' OD2' ' A' ' 99' ' ' ASP . 0.9 OUTLIER -100.15 143.76 29.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 17.7 m -112.27 -32.3 2.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -68.01 169.66 9.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.818 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.93 -30.13 7.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -99.97 66.46 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.949 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.404 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 24.9 t80 -84.1 139.25 32.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.708 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.632 HD13 ' C ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -98.66 119.81 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 -179.669 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.541 ' N ' HD13 ' A' ' 118' ' ' ILE . 8.2 tt -103.0 142.49 34.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.855 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.458 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.7 OUTLIER -132.61 178.1 7.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.804 179.834 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.444 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 8.1 p30 -58.07 143.71 42.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.99 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 68.22 49.14 48.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.433 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.6 121.42 37.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.804 0.335 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 28.1 mtm180 -96.27 122.36 39.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.629 HD13 ' HZ ' ' A' ' 80' ' ' PHE . 6.0 tt -120.86 137.88 53.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 22.7 t -114.81 124.97 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.295 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.578 ' HB3' ' CE1' ' A' ' 77' ' ' HIS . 96.9 m-85 -111.46 149.83 30.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.823 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.49 -64.43 0.81 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.528 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.6 -38.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.724 0.297 . . . . 0.0 111.065 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.0 p -113.49 -36.35 4.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.286 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' CYS . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 133' ' ' PHE . 99.6 m -54.88 107.58 0.31 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.172 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 38.2 t -124.1 131.93 53.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.895 ' CZ ' HD21 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -132.49 156.01 47.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.987 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.7 tt -125.74 118.6 25.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.509 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.444 ' HD2' HD21 ' A' ' 119' ' ' LEU . 70.7 t80 -94.45 141.68 28.31 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 122.035 0.921 . . . . 0.0 112.099 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -154.31 149.53 27.01 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 113.821 -1.536 . . . . 0.0 110.672 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.509 ' N ' ' CD1' ' A' ' 137' ' ' TYR . 0.4 OUTLIER -83.81 139.37 32.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.371 . . . . 0.0 110.798 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.647 ' HB2' ' CD2' ' A' ' 36' ' ' HIS . . . -106.77 -38.0 6.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.099 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 49.6 m -96.6 101.35 12.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.4 p -176.66 -50.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 16.3 m -135.51 113.16 10.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.0 101.13 9.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 8.9 t -79.03 144.79 34.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.9 112.76 6.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.608 ' O ' HG22 ' A' ' 145' ' ' ILE . 3.3 mp -115.01 24.95 4.5 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 CA-C-O 121.72 0.771 . . . . 0.0 111.351 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.76 87.67 2.73 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 114.575 -1.193 . . . . 0.0 110.854 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.99 129.69 40.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.44 121.98 36.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -94.24 88.72 5.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -106.75 -37.66 6.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -145.13 113.42 6.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 15.9 m -93.21 134.2 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 33.1 t -70.42 171.21 10.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.1 t -142.28 31.63 1.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -145.21 -66.58 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -175.01 115.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.68 107.31 10.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.72 152.4 21.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.76 0.314 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.6 pt -135.71 168.54 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.05 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' TPO . . . . . 0.402 ' O3P' ' HA ' ' B' ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -74.66 149.36 85.96 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.81 -167.76 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.543 2.162 . . . . 0.0 112.293 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -141.5 67.62 1.34 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 59.67 179.63 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 7.8 m -148.84 129.61 14.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.2 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.935 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.858 0.361 . . . . 0.0 111.244 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.03 -45.88 63.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.979 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -162.31 147.19 12.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.6 -44.95 1.65 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.6 mtt-85 -150.36 145.67 26.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.9 m -93.18 48.01 1.3 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.818 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -95.16 156.1 16.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -166.04 91.66 0.84 Allowed Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -57.99 146.6 86.51 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.527 2.151 . . . . 0.0 112.234 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.74 -58.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.7 p -102.81 -179.17 3.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -92.62 160.76 14.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.427 ' CE2' ' HG3' ' A' ' 53' ' ' ARG . 28.2 m-85 -93.09 -105.25 0.12 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.816 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.2 128.54 22.59 Favored 'General case' 0 C--O 1.23 0.06 0 CA-C-O 120.693 0.283 . . . . 0.0 110.615 179.705 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.6 t -69.74 145.01 52.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.247 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.622 HD11 ' ND2' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -154.31 -57.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 179.826 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.44 163.21 29.51 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.818 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.426 ' CD2' ' HB3' ' A' ' 49' ' ' GLU . 9.4 m80 -130.94 155.46 46.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.84 0.352 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.941 HD21 HD11 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -127.05 132.77 50.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.54 179.667 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.1 t -103.61 129.26 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.395 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -90.0 113.92 25.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.73 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.6 mt -84.39 106.87 16.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.528 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 12.0 mt -124.28 140.35 34.82 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.806 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.528 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 57.8 Cg_endo -73.9 86.3 1.26 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.157 1.905 . . . . 0.0 112.029 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.74 -11.21 3.42 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.502 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -179.21 166.09 1.5 Allowed 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 120.76 0.314 . . . . 0.0 110.805 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.55 154.13 50.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.991 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.86 129.13 31.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -113.11 120.91 42.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.9 t -119.37 140.32 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.426 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 19.0 pm0 -90.93 134.58 34.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.15 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.941 HD11 HD21 ' A' ' 37' ' ' LEU . 31.0 mm -101.68 117.94 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.815 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -97.08 168.28 10.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.186 -179.722 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.67 ' ND2' HD12 ' A' ' 82' ' ' LEU . 10.1 m120 -86.23 68.0 10.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.394 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.566 ' C ' ' H ' ' A' ' 55' ' ' VAL . 24.2 ttt-85 -90.98 4.27 52.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.888 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.441 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 1.2 t-20 71.66 -35.92 0.34 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.566 ' H ' ' C ' ' A' ' 53' ' ' ARG . 88.8 t -137.28 139.06 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.39 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.528 HG22 ' CB ' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -125.2 130.93 53.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.375 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.69 133.62 48.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.958 0.408 . . . . 0.0 110.872 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.445 HD12 ' CE1' ' A' ' 80' ' ' PHE . 27.1 mt -125.98 121.58 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.296 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.64 -137.32 4.15 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.156 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.622 ' HG3' HG22 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -111.34 -19.62 12.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.61 0.243 . . . . 0.0 111.117 179.815 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.68 ' HB2' HG23 ' A' ' 75' ' ' THR . 0.1 OUTLIER -53.45 151.12 5.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.858 0.361 . . . . 0.0 111.042 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -75.61 -38.34 59.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.95 -19.98 63.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.228 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 40.1 m -53.91 157.24 2.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.528 ' CB ' HG22 ' A' ' 56' ' ' THR . 0.7 OUTLIER -74.42 -59.96 2.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.968 0.414 . . . . 0.0 110.894 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.09 129.65 67.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.079 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.4 pt -101.49 106.53 19.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.184 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.717 ' CD1' HD11 ' A' ' 73' ' ' ILE . 61.4 mt -65.58 178.95 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.8 p -112.72 67.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.03 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.402 ' HB2' HD13 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -139.99 128.15 13.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.602 179.856 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.57 -16.73 54.97 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.43 2.087 . . . . 0.0 112.413 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -126.6 33.0 5.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.688 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.717 HD11 ' CD1' ' A' ' 68' ' ' LEU . 2.9 tp -74.35 125.97 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.116 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 m -55.72 133.22 50.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.173 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.68 HG23 ' HB2' ' A' ' 61' ' ' SER . 89.1 m -62.14 -38.86 90.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.454 ' O ' ' C ' ' A' ' 77' ' ' HIS . 5.5 m-85 -105.76 14.08 28.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.45 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.499 ' CD2' ' CD1' ' A' ' 127' ' ' PHE . 1.8 t60 -19.24 -68.98 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.585 -1.189 . . . . 0.0 112.888 -179.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . . . -150.96 164.1 37.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.975 0.417 . . . . 0.0 111.947 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 56' ' ' THR . 8.0 pt-20 -131.12 138.41 49.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.771 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.71 ' CZ ' HG13 ' A' ' 97' ' ' VAL . 10.0 m-85 -119.43 131.33 55.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.953 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.441 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 12.4 m-70 -94.73 116.73 29.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.839 0.352 . . . . 0.0 111.218 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.67 HD12 ' ND2' ' A' ' 52' ' ' ASN . 0.4 OUTLIER -106.08 109.36 21.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.691 179.636 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.46 140.06 53.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -113.94 129.36 56.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -136.53 147.96 47.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.103 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -103.17 119.65 39.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 m -127.81 115.62 40.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.338 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 55.94 78.45 0.2 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 66.39 -71.57 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.989 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -70.03 177.03 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.713 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.03 127.94 27.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.2 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -102.47 143.96 31.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.625 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.622 ' ND2' HD11 ' A' ' 34' ' ' LEU . 7.9 m-80 -109.82 130.74 55.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.14 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.35 137.89 51.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.624 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.415 ' HB ' ' HB3' ' A' ' 119' ' ' LEU . 3.9 mp -121.01 140.39 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 111.28 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.97 144.08 43.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.929 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.71 HG13 ' CZ ' ' A' ' 80' ' ' PHE . 11.9 t -117.03 123.02 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.036 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 98' ' ' ILE . 3.8 mp -127.28 123.93 62.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.061 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.67 ' HB2' HD22 ' A' ' 112' ' ' LEU . 0.2 OUTLIER -114.03 130.74 56.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -149.62 42.92 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 m -123.8 -177.65 3.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -117.49 41.49 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.48 ' OD1' HG22 ' B' ' 8' ' ' TPO . 0.9 OUTLIER -113.82 -34.3 5.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.311 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.77 125.29 5.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.445 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.467 ' HG1' ' HD1' ' A' ' 127' ' ' PHE . 56.2 m -132.06 126.1 33.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 111.022 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -121.08 115.01 22.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.797 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.624 ' HB ' HG23 ' A' ' 125' ' ' ILE . 0.0 OUTLIER -120.53 137.03 55.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.301 0.572 . . . . 0.0 111.257 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.541 ' HB2' HD13 ' A' ' 107' ' ' ILE . 4.7 m-20 64.16 29.58 13.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.804 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.65 11.98 73.49 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.903 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -134.0 141.17 47.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.815 0.341 . . . . 0.0 110.979 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -70.22 135.47 49.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.67 HD22 ' HB2' ' A' ' 99' ' ' ASP . 8.8 tt -83.95 122.61 28.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 17.1 m -115.46 -40.82 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.76 -178.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.789 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.56 -33.42 5.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.035 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.53 72.62 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.075 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -83.98 138.78 32.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.727 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.53 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.2 tp -98.66 118.04 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.984 0.421 . . . . 0.0 111.495 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.852 HD23 ' N ' ' A' ' 120' ' ' LYS . 3.6 tt -103.17 140.22 37.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.97 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.852 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -134.3 176.23 8.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.854 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.425 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 6.4 p-10 -58.8 141.51 52.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.978 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.418 ' HA2' HD21 ' A' ' 134' ' ' LEU . . . 74.11 53.03 7.25 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.502 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.494 ' HB2' HD21 ' A' ' 119' ' ' LEU . 90.0 m-20 -131.47 134.26 45.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.807 0.337 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -103.46 124.2 48.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.669 HD11 HD11 ' A' ' 119' ' ' LEU . 3.4 mp -120.87 126.34 75.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.089 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.4 t -109.47 133.85 53.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 78' ' ' ALA . 5.4 m-85 -119.72 130.62 55.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.077 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 85.78 -68.02 3.46 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.424 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 169.96 -33.44 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.742 0.306 . . . . 0.0 110.985 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 5.4 p -106.43 -42.72 4.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.396 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' CYS . . . . . 0.52 ' HB3' HD22 ' A' ' 68' ' ' LEU . 44.9 m -57.71 104.79 0.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.985 0.422 . . . . 0.0 111.202 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 29.0 t -124.5 125.86 44.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.918 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.432 ' CE1' ' HB ' ' A' ' 125' ' ' ILE . 25.3 p90 -142.09 156.06 45.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.928 0.394 . . . . 0.0 111.206 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.472 HD23 ' N ' ' A' ' 135' ' ' PHE . 5.6 tt -122.2 124.84 44.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.639 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.472 ' N ' HD23 ' A' ' 134' ' ' LEU . 86.8 t80 -92.02 141.41 28.64 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 122.04 0.924 . . . . 0.0 111.831 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.58 153.44 31.41 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 113.774 -1.557 . . . . 0.0 110.665 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.455 ' N ' ' CD1' ' A' ' 137' ' ' TYR . 1.1 m-30 -78.39 139.84 38.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.065 0.46 . . . . 0.0 110.632 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -102.86 119.99 39.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.167 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.2 m -128.54 -175.59 3.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 2.7 t -64.97 -66.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -170.6 151.58 3.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.56 167.45 10.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.949 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 1.3 p -148.43 45.23 1.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -72.99 126.93 31.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.595 HG22 ' H ' ' A' ' 146' ' ' GLU . 2.3 mt -110.14 -143.4 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.436 -1.149 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.595 ' H ' HG22 ' A' ' 145' ' ' ILE . 1.7 mt-10 62.76 152.31 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 61.13 85.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.27 159.33 26.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -137.49 31.13 2.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -94.24 126.73 39.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.1 177.88 8.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 15.8 m -98.17 31.22 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.69 117.42 3.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 47.8 m -129.59 -179.45 5.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.03 30.01 5.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 2.5 m 58.94 81.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.77 98.16 11.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 8.7 t -87.83 -39.9 14.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.862 0.363 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 12.4 pt -93.12 -179.19 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.05 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 10.6 tm0? 58.68 88.68 0.12 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.955 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.25 -168.11 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.497 2.131 . . . . 0.0 112.269 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' TPO . . . . . 0.48 HG22 ' OD1' ' A' ' 103' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -133.9 163.43 29.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -91.91 113.11 25.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 53.1 m -100.97 144.59 29.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.802 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.0 p . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.884 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.0 mttp . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.812 0.339 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.18 36.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -95.21 140.75 29.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -78.71 110.37 13.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -95.84 160.77 14.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.9 t -158.37 -48.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -89.47 -176.93 5.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -109.23 136.14 20.17 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.793 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 26' ' ' LYS . 32.6 Cg_exo -57.68 154.58 36.28 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.399 2.066 . . . . 0.0 112.177 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.1 t -94.04 -173.75 3.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.5 p -89.41 162.91 15.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -94.13 -24.09 17.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.006 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.425 ' HB2' ' CG2' ' A' ' 51' ' ' THR . 40.9 m-85 -100.21 -122.51 0.16 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.602 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -140.24 129.88 24.31 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.788 0.328 . . . . 0.0 110.248 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.03 134.96 57.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.925 0.393 . . . . 0.0 111.199 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.024 HD13 HD12 ' A' ' 82' ' ' LEU . 7.3 tt -132.93 -48.07 0.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.758 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.448 ' O ' HG22 ' A' ' 50' ' ' ILE . . . -159.15 -173.38 27.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.516 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.63 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 40.9 m80 -142.79 160.34 40.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.838 0.351 . . . . 0.0 110.881 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.691 HD11 ' HB ' ' A' ' 50' ' ' ILE . 1.0 OUTLIER -127.2 119.72 27.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.763 179.788 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.2 t -104.39 121.78 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.172 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -90.27 133.01 35.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.804 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.2 mp -106.18 106.67 17.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.833 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.433 HD12 ' O ' ' A' ' 44' ' ' LYS . 1.4 mp -124.32 139.02 31.97 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.403 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 77.9 Cg_exo -50.49 -25.15 13.68 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.363 2.042 . . . . 0.0 112.507 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.45 -40.43 7.83 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.644 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.433 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -179.72 163.94 1.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.852 0.358 . . . . 0.0 110.947 179.836 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -94.41 174.06 7.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.08 129.65 8.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -107.22 124.94 50.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.6 t -116.86 137.53 50.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -88.27 122.27 31.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.691 ' HB ' HD11 ' A' ' 37' ' ' LEU . 3.7 tt -113.23 124.51 69.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.994 0.426 . . . . 0.0 111.182 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.425 ' CG2' ' HB2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -97.43 168.23 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.127 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.436 ' ND2' ' H ' ' A' ' 52' ' ' ASN . 0.1 OUTLIER -80.61 68.21 6.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.115 0.484 . . . . 0.0 110.469 179.422 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.572 ' C ' ' H ' ' A' ' 55' ' ' VAL . 19.6 ttt-85 -81.87 5.51 18.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.038 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.478 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 25.1 m-80 69.67 -35.96 0.33 Allowed 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -178.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.572 ' H ' ' C ' ' A' ' 53' ' ' ARG . 61.1 t -137.5 132.68 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.477 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.766 HG23 ' CB ' ' A' ' 65' ' ' ASP . 53.4 m -125.07 127.32 46.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.262 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -104.14 119.68 39.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.025 0.44 . . . . 0.0 111.188 -179.62 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.476 ' CG2' HD23 ' A' ' 68' ' ' LEU . 19.2 mt -107.84 122.29 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.026 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.84 -139.92 5.43 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.456 -0.878 . . . . 0.0 113.014 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.437 ' HB2' ' CG2' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -106.99 -32.84 7.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.321 . . . . 0.0 111.176 -179.586 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.616 ' HB2' HG23 ' A' ' 75' ' ' THR . 2.0 t -45.68 153.11 0.28 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.327 -179.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -75.3 -34.14 61.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.88 -19.25 62.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.2 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.406 ' HA ' ' CB ' ' A' ' 57' ' ' THR . 6.1 m -53.78 141.02 28.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.006 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.766 ' CB ' HG23 ' A' ' 56' ' ' THR . 3.3 m-20 -65.26 -53.81 38.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.138 0.494 . . . . 0.0 110.429 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.0 t -109.49 133.09 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.727 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.491 HD13 ' H ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -105.59 106.55 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.201 -179.861 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.778 HD21 ' CE2' ' A' ' 133' ' ' PHE . 0.2 OUTLIER -76.75 -152.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.031 179.615 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 1.2 m -39.62 -93.95 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 117.548 0.158 . . . . 0.0 111.285 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' A' ' 69' ' ' SER . 2.1 mm-40 155.99 -67.66 0.0 OUTLIER Pre-proline 0 N--CA 1.469 0.499 0 CA-C-O 120.644 0.259 . . . . 0.0 111.662 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 70' ' ' GLU . 39.8 Cg_endo -67.14 -16.24 48.4 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.555 2.17 . . . . 0.0 113.585 -178.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -137.05 34.99 2.57 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.677 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 73' ' ' ILE . 4.9 tp -117.75 126.01 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-O 120.995 0.426 . . . . 0.0 111.237 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.428 ' HB2' ' CG ' ' A' ' 77' ' ' HIS . 34.7 m -62.25 133.73 55.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.061 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.616 HG23 ' HB2' ' A' ' 61' ' ' SER . 91.4 m -54.73 -44.05 73.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.465 ' O ' ' C ' ' A' ' 77' ' ' HIS . 16.2 p90 -110.45 13.68 22.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.231 0.538 . . . . 0.0 111.54 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.465 ' C ' ' O ' ' A' ' 76' ' ' PHE . 1.6 t-160 -13.16 -65.58 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.571 -1.195 . . . . 0.0 113.063 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -154.19 160.11 41.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.12 0.486 . . . . 0.0 112.039 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -122.19 134.86 54.71 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.015 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.702 ' CE1' HG13 ' A' ' 97' ' ' VAL . 3.2 m-85 -119.52 131.1 55.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.74 0.305 . . . . 0.0 111.24 -179.416 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.478 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 11.2 m170 -97.16 116.84 30.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 0.0 111.013 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.024 HD12 HD13 ' A' ' 34' ' ' LEU . 2.3 mm? -106.1 109.68 21.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.835 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.512 HD23 ' N ' ' A' ' 84' ' ' GLN . 1.0 OUTLIER -122.1 139.44 53.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.984 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.512 ' N ' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -103.41 128.09 50.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.808 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -112.66 128.8 56.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -85.32 116.0 23.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.022 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.401 HG21 ' HE ' ' A' ' 92' ' ' ARG . 19.8 t -136.61 139.05 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.023 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -53.12 157.28 1.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.09 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 69.05 -67.58 0.21 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -136.8 154.79 50.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -82.98 157.43 22.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.834 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.401 ' HE ' HG21 ' A' ' 87' ' ' VAL . 5.4 mtm180 -115.9 125.8 53.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.609 ' HB3' HD21 ' A' ' 34' ' ' LEU . 16.1 m-80 -113.55 128.4 56.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.1 mp -123.0 128.37 50.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.435 HD13 HD23 ' A' ' 119' ' ' LEU . 4.0 mp -118.34 141.05 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.417 ' HB3' ' HB2' ' A' ' 81' ' ' HIS . 26.9 t30 -113.84 144.09 43.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.789 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.702 HG13 ' CE1' ' A' ' 80' ' ' PHE . 12.7 t -113.25 122.08 66.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.188 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.4 ' CD1' ' NE2' ' A' ' 81' ' ' HIS . 32.9 mt -126.68 121.01 57.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -111.79 133.83 53.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.05 37.21 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.6 m -128.85 176.73 7.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.01 30.7 7.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.414 ' OD1' HG22 ' B' ' 8' ' ' TPO . 0.8 OUTLIER -94.47 -28.12 15.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.31 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.18 111.28 3.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.446 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.456 ' CG2' ' CE1' ' A' ' 127' ' ' PHE . 85.2 m -118.73 125.6 50.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.405 ' CE2' ' HG3' ' A' ' 111' ' ' ARG . 38.8 m-85 -121.04 114.98 22.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.8 HG22 HD22 ' A' ' 112' ' ' LEU . 2.8 tp -111.54 137.36 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.441 0.638 . . . . 0.0 111.239 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.0 m120 62.54 26.33 15.65 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.834 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.66 9.64 70.02 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.801 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -134.23 151.53 51.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.884 0.373 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.405 ' HG3' ' CE2' ' A' ' 106' ' ' PHE . 0.9 OUTLIER -69.95 132.54 46.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.76 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.8 HD22 HG22 ' A' ' 107' ' ' ILE . 1.6 pt? -99.97 141.05 33.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.025 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 12.6 p -118.95 -39.54 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -59.89 130.74 48.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.788 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -72.66 -16.86 61.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -120.67 68.68 0.87 Allowed 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -78.88 139.12 38.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.626 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.553 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.3 tp -98.41 116.44 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-O 121.015 0.436 . . . . 0.0 111.345 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.435 HD23 HD13 ' A' ' 95' ' ' ILE . 6.8 tt -103.19 143.77 32.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.073 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.1 mtmm -135.62 178.13 7.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.72 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.423 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 7.8 p-10 -55.64 137.82 48.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.099 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 77.23 43.01 17.52 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.624 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -114.95 130.47 56.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.601 ' HD2' HD12 ' A' ' 134' ' ' LEU . 0.3 OUTLIER -104.45 114.9 29.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.787 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.5 ' HB ' HD13 ' A' ' 107' ' ' ILE . 2.9 tt -116.64 137.77 49.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.619 HG22 ' HB2' ' A' ' 132' ' ' SER . 21.2 t -116.57 127.61 74.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.196 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.456 ' CE1' ' CG2' ' A' ' 105' ' ' THR . 40.6 m-85 -119.29 130.65 55.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.763 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.485 ' O ' ' HB2' ' A' ' 129' ' ' LYS . . . 86.78 -7.45 79.81 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.741 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 128' ' ' GLY . 4.6 mtpp 74.71 32.16 0.89 Allowed 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.075 0.464 . . . . 0.0 110.358 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 53.2 p -161.49 -43.46 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.94 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' CYS . . . . . 0.415 ' HB3' HD12 ' A' ' 68' ' ' LEU . 6.8 m -88.01 110.97 21.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.841 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.619 ' HB2' HG22 ' A' ' 126' ' ' VAL . 33.4 t -124.17 138.44 54.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.181 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.778 ' CE2' HD21 ' A' ' 68' ' ' LEU . 15.5 p90 -142.09 156.16 45.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.601 HD12 ' HD2' ' A' ' 124' ' ' ARG . 8.9 tt -107.88 139.98 41.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.058 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -110.74 141.63 43.79 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.925 0.869 . . . . 0.0 111.596 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -154.56 160.75 41.69 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 113.899 -1.5 . . . . 0.0 110.955 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.423 ' CE2' ' HB3' ' A' ' 121' ' ' ASN . 3.4 m-85 -85.57 139.84 31.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.971 0.415 . . . . 0.0 110.749 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.63 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . . . -96.13 106.62 18.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.191 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.8 m -120.26 150.38 40.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 67.0 m -154.69 151.47 28.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.3 m -99.15 174.18 6.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 15.1 m -74.26 146.83 42.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.41 -55.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.029 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -157.3 36.67 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.585 ' O ' HG22 ' A' ' 145' ' ' ILE . 18.4 mm -102.49 24.69 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.605 0.717 . . . . 0.0 111.385 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.33 90.36 3.68 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 114.629 -1.169 . . . . 0.0 110.972 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -77.57 141.98 39.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -162.96 99.21 0.97 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -69.98 143.2 52.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -97.5 -64.94 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.65 148.23 49.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 6.2 m -127.49 -44.48 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 10.7 p 59.44 173.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 11.5 t -109.4 -36.14 6.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -137.93 145.03 41.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 23.3 t -61.64 -51.7 67.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -128.68 148.23 50.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 30.1 t -135.66 94.65 3.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 51.0 p30 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.844 0.354 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.65 HD13 ' N ' ' B' ' 4' ' ' ILE . 0.2 OUTLIER -148.37 177.26 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.221 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.2 91.96 0.07 OUTLIER Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.061 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.59 -173.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.476 2.117 . . . . 0.0 112.155 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' TPO . . . . . 0.414 HG22 ' OD1' ' A' ' 103' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.86 -175.83 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.798 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -83.83 114.6 21.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 35.5 p -84.8 179.25 7.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.804 0.335 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 47.4 mtt180 -125.53 135.4 52.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -125.86 162.42 25.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -91.68 -43.52 9.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.17 -172.57 4.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.03 116.59 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -161.96 -45.88 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm -71.18 119.12 71.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.816 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.09 142.55 46.79 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.373 2.049 . . . . 0.0 112.258 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m 62.21 118.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 m -106.81 -44.71 4.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 62.66 144.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.443 ' HB2' HG21 ' A' ' 51' ' ' THR . 88.5 m-85 -121.62 -122.76 0.28 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.451 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.24 129.26 27.08 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-O 120.887 0.375 . . . . 0.0 110.37 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.98 145.08 47.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.071 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.626 HD11 ' HG2' ' A' ' 84' ' ' GLN . 0.6 OUTLIER -149.28 -45.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.834 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.718 ' C ' HG22 ' A' ' 50' ' ' ILE . . . -143.86 179.53 21.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.499 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.434 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 47.0 m80 -146.69 157.88 43.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.859 0.361 . . . . 0.0 110.637 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mt -121.63 115.92 23.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.043 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.95 121.74 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.004 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -90.0 116.73 28.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.468 ' O ' HD13 ' A' ' 41' ' ' ILE . 5.3 mp -70.61 106.69 3.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.811 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.468 HD13 ' O ' ' A' ' 40' ' ' LEU . 30.8 mm -124.11 138.74 31.25 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.967 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.422 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 89.9 Cg_exo -44.33 -29.26 2.93 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.513 2.142 . . . . 0.0 112.603 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.34 -122.62 3.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.302 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.18 138.52 38.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.854 0.359 . . . . 0.0 111.053 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -89.81 150.01 22.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.64 108.26 17.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -105.77 126.75 52.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.1 t -119.76 151.08 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.163 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -101.37 133.05 46.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.718 HG22 ' C ' ' A' ' 35' ' ' GLY . 1.7 tt -114.53 132.17 64.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.443 HG21 ' HB2' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -105.7 168.39 9.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.225 -179.565 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.567 ' HB3' HD12 ' A' ' 34' ' ' LEU . 6.7 p30 -83.67 68.53 9.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.289 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.565 ' C ' ' H ' ' A' ' 55' ' ' VAL . 18.1 ttt180 -88.49 4.77 45.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.062 -179.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.424 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 1.2 t-20 71.56 -37.49 0.39 Allowed 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -178.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.565 ' H ' ' C ' ' A' ' 53' ' ' ARG . 68.7 t -137.3 137.83 45.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.581 179.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.762 HG23 ' HB3' ' A' ' 65' ' ' ASP . 31.7 m -125.43 129.72 50.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.952 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.69 132.81 49.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.858 0.361 . . . . 0.0 110.571 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.674 HD11 ' CD2' ' A' ' 80' ' ' PHE . 40.2 mt -116.69 128.37 74.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.698 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 161.62 -135.31 3.87 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.127 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.469 ' HG3' ' HG2' ' A' ' 70' ' ' GLU . 5.2 ttp85 -115.46 -27.28 7.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.65 0.262 . . . . 0.0 110.999 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.649 ' HB2' HG23 ' A' ' 75' ' ' THR . 0.1 OUTLIER -46.37 122.26 3.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.868 0.366 . . . . 0.0 110.925 -179.831 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -55.02 -27.0 40.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.088 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -75.5 -22.97 56.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.067 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.2 m -54.99 163.1 1.09 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.762 ' HB3' HG23 ' A' ' 56' ' ' THR . 9.7 t70 -82.23 -49.44 10.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.022 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 58' ' ' ILE . 21.6 t -124.96 133.11 70.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.379 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -101.18 122.3 53.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.727 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.709 HD21 ' CE1' ' A' ' 133' ' ' PHE . 7.6 mt -82.74 -94.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.78 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.0 t -91.8 -108.39 0.1 Allowed 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.614 ' CB ' ' HD3' ' A' ' 71' ' ' PRO . 1.2 mt-10 168.26 -65.41 0.0 OUTLIER Pre-proline 0 CA--C 1.531 0.224 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 179.097 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.614 ' HD3' ' CB ' ' A' ' 70' ' ' GLU . 35.3 Cg_exo -60.35 -40.0 62.19 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 121.865 1.71 . . . . 0.0 113.075 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -125.5 28.9 6.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.456 ' CG2' ' HB2' ' A' ' 60' ' ' ARG . 7.0 tp -98.25 120.05 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.01 0.433 . . . . 0.0 111.124 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.4 m -59.14 133.49 56.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.215 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.649 HG23 ' HB2' ' A' ' 61' ' ' SER . 93.5 m -63.67 -37.09 86.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.681 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.453 ' O ' ' C ' ' A' ' 77' ' ' HIS . 5.5 m-85 -106.22 13.86 28.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.247 0.546 . . . . 0.0 111.329 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.453 ' C ' ' O ' ' A' ' 76' ' ' PHE . 2.7 t-160 -19.93 -70.03 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.616 -1.175 . . . . 0.0 112.92 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.68 164.1 38.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.966 0.413 . . . . 0.0 111.946 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 56' ' ' THR . 10.1 mt-10 -126.47 134.8 50.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.684 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.674 ' CD2' HD11 ' A' ' 58' ' ' ILE . 14.4 m-85 -119.45 125.26 48.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.628 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.424 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 8.3 m80 -94.86 116.26 28.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.919 0.39 . . . . 0.0 111.385 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.405 HD21 HD13 ' A' ' 34' ' ' LEU . 1.7 tt -106.67 109.43 21.34 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.711 179.391 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.572 HD23 ' H ' ' A' ' 84' ' ' GLN . 0.8 OUTLIER -122.27 140.18 52.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.055 -179.844 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.626 ' HG2' HD11 ' A' ' 34' ' ' LEU . 11.6 mt-30 -99.7 124.98 45.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.2 120.62 15.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -107.13 124.22 49.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.035 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.5 m -124.1 139.09 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.066 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 t0 74.51 -59.21 0.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.057 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -174.8 -43.92 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -79.61 138.04 37.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.633 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -82.95 127.68 33.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.076 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -117.19 138.68 51.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.752 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.447 ' C ' HD12 ' A' ' 94' ' ' LEU . 21.1 m-80 -114.05 131.41 56.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.942 0.401 . . . . 0.0 111.104 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.551 ' N ' HD12 ' A' ' 94' ' ' LEU . 5.2 mp -117.5 138.03 52.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.633 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 95' ' ' ILE . 4.2 mp -117.24 141.33 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.905 0.383 . . . . 0.0 111.328 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.76 132.74 55.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.821 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.673 HG13 ' CE1' ' A' ' 80' ' ' PHE . 3.3 t -95.87 128.27 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.249 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 22.3 mt -130.12 120.94 50.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.887 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -115.95 133.23 56.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.002 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.36 33.51 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.1 m -118.42 170.68 8.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.96 31.95 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.51 -40.64 7.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.217 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 112.96 109.23 2.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.459 HG21 ' CE1' ' A' ' 127' ' ' PHE . 58.6 m -112.98 125.63 54.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.752 0.311 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -120.22 123.49 43.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.451 HG22 HD11 ' A' ' 112' ' ' LEU . 3.2 tp -122.43 137.23 56.67 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 CA-C-O 121.557 0.694 . . . . 0.0 111.339 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.8 m120 59.84 28.38 17.85 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.846 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.63 11.76 73.17 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.839 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -134.12 136.86 44.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.717 0.294 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.96 142.4 57.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.515 ' H ' HD12 ' A' ' 112' ' ' LEU . 4.7 mp -76.95 142.25 40.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 11.3 m -136.53 31.67 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.03 178.83 7.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -108.37 -44.52 4.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.18 74.34 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.768 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.401 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -84.12 139.27 32.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.526 ' O ' HG23 ' A' ' 118' ' ' ILE . 7.7 tp -98.56 119.17 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.558 HD21 ' HD2' ' A' ' 135' ' ' PHE . 8.7 tt -103.13 136.17 43.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.153 0.502 . . . . 0.0 111.642 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt -119.28 126.53 51.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.588 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.659 ' HB3' ' HA ' ' A' ' 136' ' ' LYS . 1.1 m120 -50.87 148.05 4.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.239 0.543 . . . . 0.0 111.635 -179.042 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 135' ' ' PHE . . . 93.2 40.92 4.7 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.748 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.607 ' C ' HD22 ' A' ' 134' ' ' LEU . 21.1 m-20 -142.48 162.46 35.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.878 0.37 . . . . 0.0 110.939 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.454 ' HG2' HD23 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -95.08 123.06 38.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 -179.843 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.3 mt -114.85 121.92 67.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.961 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 38.6 t -109.47 124.0 65.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.036 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.459 ' CE1' HG21 ' A' ' 105' ' ' THR . 11.1 m-85 -122.19 146.38 47.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.758 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 80.58 -65.95 3.79 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.326 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 170.38 -33.85 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.789 0.328 . . . . 0.0 111.043 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 93.5 p -119.65 -34.94 3.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.493 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' CYS . . . . . 0.676 ' HB3' HD22 ' A' ' 68' ' ' LEU . 33.3 m -54.37 104.78 0.12 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.994 0.426 . . . . 0.0 111.312 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 68.1 m -124.5 127.32 47.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.868 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.709 ' CE1' HD21 ' A' ' 68' ' ' LEU . 5.0 p90 -142.22 155.58 45.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.197 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.607 HD22 ' C ' ' A' ' 123' ' ' ASP . 0.3 OUTLIER -109.14 119.57 39.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.529 179.428 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.558 ' HD2' HD21 ' A' ' 119' ' ' LEU . 22.9 t80 -91.62 141.44 28.71 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 121.485 0.659 . . . . 0.0 110.376 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.659 ' HA ' ' HB3' ' A' ' 121' ' ' ASN . 0.3 OUTLIER -155.09 153.2 30.52 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.543 -179.317 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 121' ' ' ASN . 86.4 m-85 -70.98 141.0 51.04 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.139 0.495 . . . . 0.0 110.146 178.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 34' ' ' LEU . . . -80.5 147.24 30.95 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.233 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.7 t -96.51 -24.91 15.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.007 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 64.04 106.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.32 108.04 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 51.1 m -81.0 -56.66 3.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.81 124.76 6.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -147.0 117.86 7.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.704 HG23 ' N ' ' A' ' 146' ' ' GLU . 0.4 OUTLIER -117.9 -150.63 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.432 -1.342 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.704 ' N ' HG23 ' A' ' 145' ' ' ILE . 2.5 tt0 -137.56 -58.13 0.68 Allowed 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -111.88 137.74 49.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.81 130.6 56.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -147.14 126.05 12.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -144.48 71.91 1.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -168.52 35.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 11.1 p -92.0 -30.42 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.7 t -88.36 156.38 19.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.16 89.98 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 66.09 -76.1 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.96 143.51 22.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 60.42 -177.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 20.3 p -103.36 165.87 10.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.865 0.364 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.639 HG23 HG21 ' A' ' 75' ' ' THR . 3.7 mp -83.59 119.52 33.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' TPO . . . . . 0.591 HG21 ' O3P' ' B' ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 57.85 94.06 0.05 OUTLIER Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.167 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.59 -167.43 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.462 2.108 . . . . 0.0 112.158 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -107.31 115.96 31.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 60.06 -175.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 4.8 m -139.0 136.32 35.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.2 m . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.933 -179.939 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 tttt . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.783 0.325 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -144.86 169.6 17.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -138.39 31.45 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -118.46 160.22 22.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.788 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.08 127.82 54.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.5 p 58.11 166.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -133.47 31.47 3.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.4 tptp -154.99 134.73 7.99 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -61.64 140.94 89.26 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.495 2.13 . . . . 0.0 112.21 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.5 m -81.81 -76.21 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -151.32 34.16 0.57 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.3 94.06 8.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.774 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.414 ' HB2' ' CG2' ' A' ' 51' ' ' THR . 5.2 m-85 -88.41 -116.27 0.05 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.758 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.23 128.87 22.98 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.773 0.321 . . . . 0.0 110.81 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.41 114.97 6.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.821 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.544 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -118.46 -39.77 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.048 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.533 ' O ' HG22 ' A' ' 50' ' ' ILE . . . -153.52 176.13 31.64 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.55 -0.834 . . . . 0.0 112.729 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.506 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 27.0 m80 -138.54 158.0 45.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.614 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.48 HD23 ' HB2' ' A' ' 135' ' ' PHE . 3.5 mt -119.98 119.52 33.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.9 121.83 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -90.1 130.09 36.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mt -99.01 106.82 19.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.79 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.0 mp -124.07 132.61 24.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.056 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -57.24 85.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.299 2.0 . . . . 0.0 112.275 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.75 -28.69 1.45 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.553 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.37 149.87 0.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.8 0.333 . . . . 0.0 110.933 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.87 165.05 11.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.62 122.64 14.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.02 131.54 40.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.7 t -119.91 141.25 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.9 123.25 39.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.821 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.533 HG22 ' O ' ' A' ' 35' ' ' GLY . 12.2 tt -116.07 132.06 66.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.215 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.414 ' CG2' ' HB2' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -98.03 168.19 10.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.783 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.401 ' HA ' ' CD2' ' A' ' 82' ' ' LEU . 17.9 m120 -59.5 -91.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.484 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.539 ' C ' ' H ' ' A' ' 55' ' ' VAL . 10.0 ttt-85 73.86 -4.29 2.3 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 179.219 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.67 ' OD1' HD12 ' A' ' 83' ' ' LEU . 2.5 t-20 71.31 -36.02 0.35 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.539 ' H ' ' C ' ' A' ' 53' ' ' ARG . 60.1 t -135.55 142.64 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.723 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.712 HG23 ' CB ' ' A' ' 65' ' ' ASP . 89.5 m -125.07 129.49 50.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.71 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.2 OUTLIER -103.96 140.1 38.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.951 0.405 . . . . 0.0 110.802 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 34.5 mt -130.18 124.75 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.112 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.98 -140.12 5.79 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.793 ' CG ' HG22 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -110.25 -20.43 12.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.673 0.273 . . . . 0.0 111.082 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.694 ' HB2' HG23 ' A' ' 75' ' ' THR . 1.4 t -55.23 154.09 6.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.862 0.363 . . . . 0.0 110.985 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.481 ' HD3' ' P ' ' B' ' 5' ' ' TPO . 0.0 OUTLIER -75.2 -36.2 61.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.98 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 m -70.01 -21.8 63.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.26 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 4.0 m -52.68 151.9 4.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.072 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.712 ' CB ' HG23 ' A' ' 56' ' ' THR . 0.9 OUTLIER -68.97 -55.97 9.27 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.025 0.44 . . . . 0.0 110.754 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.436 HG21 ' CD1' ' A' ' 37' ' ' LEU . 26.0 t -119.56 127.46 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.067 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.1 pp -92.08 104.86 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.95 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.678 HD22 ' SG ' ' A' ' 131' ' ' CYS . 13.4 mt -56.7 166.6 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.016 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.5 m -94.0 51.13 1.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.58 ' HB2' HD13 ' A' ' 73' ' ' ILE . 1.0 OUTLIER -130.92 126.2 21.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.607 179.693 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.05 -13.87 41.43 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.458 2.106 . . . . 0.0 112.725 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -138.44 45.41 2.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.879 0.371 . . . . 0.0 111.08 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.793 HG22 ' CG ' ' A' ' 60' ' ' ARG . 0.6 OUTLIER -83.46 147.78 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.86 132.13 53.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.004 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.694 HG23 ' HB2' ' A' ' 61' ' ' SER . 93.5 m -63.53 -40.45 97.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.809 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.457 ' O ' ' C ' ' A' ' 77' ' ' HIS . 6.7 m-85 -102.01 14.05 33.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.37 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.457 ' C ' ' O ' ' A' ' 76' ' ' PHE . 4.6 t60 -19.34 -69.41 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.745 -1.116 . . . . 0.0 112.792 -179.378 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -145.31 162.59 36.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.031 0.444 . . . . 0.0 111.816 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.41 122.43 17.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.418 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.829 ' CZ ' HG13 ' A' ' 97' ' ' VAL . 6.1 m-85 -119.27 131.2 55.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.618 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 55' ' ' VAL . 2.1 m80 -94.69 116.26 28.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.929 0.395 . . . . 0.0 111.424 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.822 HD13 HD11 ' A' ' 95' ' ' ILE . 10.3 tp -106.62 109.56 21.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.238 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.67 HD12 ' OD1' ' A' ' 54' ' ' ASN . 0.6 OUTLIER -122.35 140.09 53.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 -179.833 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -98.02 120.93 39.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.69 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.44 121.67 44.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -98.09 115.99 29.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.802 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.8 p -140.08 128.11 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.004 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.96 -165.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.761 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -49.04 -62.3 1.6 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.315 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -82.7 -174.14 5.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -131.86 141.77 49.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.0 140.29 49.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.603 ' C ' HD22 ' A' ' 94' ' ' LEU . 4.2 m-80 -114.0 149.45 35.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.608 HD12 HD11 ' A' ' 118' ' ' ILE . 4.4 mm? -128.27 136.93 51.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.708 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.822 HD11 HD13 ' A' ' 82' ' ' LEU . 17.2 mm -118.75 141.2 39.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.225 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -115.01 144.14 44.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.829 HG13 ' CZ ' ' A' ' 80' ' ' PHE . 25.9 t -111.76 130.47 65.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.388 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 12.7 mt -130.1 120.83 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.64 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.453 ' OD2' HD23 ' A' ' 112' ' ' LEU . 0.9 OUTLIER -94.09 139.05 31.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.976 -179.764 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -176.1 39.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.36 179.77 6.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 40.5 mtp85 -120.08 28.82 7.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.818 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -149.83 -62.0 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.173 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 166.17 135.73 1.9 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.635 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.543 HG23 ' CD1' ' A' ' 127' ' ' PHE . 90.1 m -125.4 122.88 38.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.749 0.309 . . . . 0.0 110.714 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.428 ' CE2' ' HD3' ' A' ' 111' ' ' ARG . 18.3 m-85 -121.09 117.11 26.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.001 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.718 HG22 HD21 ' A' ' 112' ' ' LEU . 2.8 tp -122.96 137.23 57.14 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 CA-C-O 121.498 0.666 . . . . 0.0 111.25 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.0 m120 60.33 25.76 15.26 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.67 13.1 74.68 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.86 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -131.75 141.14 49.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.428 ' HD3' ' CE2' ' A' ' 106' ' ' PHE . 1.6 tpt85 -75.15 143.01 43.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.718 HD21 HG22 ' A' ' 107' ' ' ILE . 3.3 mm? -70.5 130.12 41.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.77 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 6.7 m -141.03 31.26 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -172.23 155.58 3.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -97.24 168.41 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.6 t0 59.97 55.29 3.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.817 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -84.0 139.35 32.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.608 HD11 HD12 ' A' ' 94' ' ' LEU . 8.5 tp -98.34 117.21 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-O 121.045 0.45 . . . . 0.0 110.96 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.845 HD23 ' N ' ' A' ' 120' ' ' LYS . 2.3 tt -103.11 137.28 41.49 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.251 0.548 . . . . 0.0 111.565 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.845 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.8 OUTLIER -117.85 126.98 53.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.406 178.721 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.562 ' HB2' ' CE2' ' A' ' 137' ' ' TYR . 2.0 m-80 -53.87 131.5 40.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.618 -179.04 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 112.82 41.18 1.02 Allowed Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.314 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -139.85 168.61 19.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.8 0.334 . . . . 0.0 110.974 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.515 ' HE ' HD12 ' A' ' 134' ' ' LEU . 0.3 OUTLIER -97.89 124.61 42.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.52 HG12 HD13 ' A' ' 107' ' ' ILE . 4.1 mt -114.78 122.93 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.974 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 35.0 t -118.42 129.41 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.543 ' CD1' HG23 ' A' ' 105' ' ' THR . 58.7 m-85 -120.06 128.11 53.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.813 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 83.56 -67.54 3.71 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.285 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 168.27 -31.78 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.825 0.345 . . . . 0.0 111.106 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 18.3 p -98.75 -54.68 2.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.54 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' CYS . . . . . 0.678 ' SG ' HD22 ' A' ' 68' ' ' LEU . 78.9 m -53.26 102.36 0.05 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.076 0.465 . . . . 0.0 111.641 -179.34 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.5 m -124.94 114.03 18.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.922 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -142.11 155.54 45.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.859 0.361 . . . . 0.0 111.286 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.515 HD12 ' HE ' ' A' ' 124' ' ' ARG . 2.0 tt -112.27 125.57 54.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.732 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.48 ' HB2' HD23 ' A' ' 37' ' ' LEU . 14.6 t80 -96.01 140.64 30.46 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 121.797 0.808 . . . . 0.0 111.027 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.507 ' HA ' ' HB3' ' A' ' 121' ' ' ASN . 8.4 tttt -155.22 155.98 34.83 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 114.026 -1.443 . . . . 0.0 111.424 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 121' ' ' ASN . 38.5 m-85 -69.15 141.21 54.65 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.188 0.518 . . . . 0.0 110.491 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.506 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . . . -72.67 117.34 14.23 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.197 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 14.4 m -85.15 125.84 33.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.77 88.43 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.65 143.53 45.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.7 m -160.46 102.61 1.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 1.7 t -95.47 90.76 5.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -96.59 107.94 20.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.586 HG22 ' H ' ' A' ' 146' ' ' GLU . 0.7 OUTLIER -110.25 -143.63 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.436 -1.152 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.586 ' H ' HG22 ' A' ' 145' ' ' ILE . 16.1 tt0 -107.03 120.12 41.22 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -145.79 134.5 22.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -123.14 138.48 54.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -177.97 -38.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 64.2 113.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 61.56 -177.0 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 6.0 m -59.23 121.97 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 5.4 t -152.78 -47.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 34.8 m -121.34 75.84 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.783 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -143.93 83.0 1.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.53 136.38 36.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -90.57 132.34 35.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.817 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.11 169.29 8.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.92 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ASN . . . . . 0.685 ' O ' HG22 ' B' ' 4' ' ' ILE . 10.2 t30 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.556 0.217 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.685 HG22 ' O ' ' B' ' 3' ' ' ASN . 9.6 tt 51.7 160.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.937 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' TPO . . . . . 0.481 ' P ' ' HD3' ' A' ' 62' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.62 162.43 20.01 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.871 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -64.53 -176.69 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.562 2.175 . . . . 0.0 112.318 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -133.89 47.13 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.55 177.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 68.1 m -155.16 156.22 35.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 12.0 p . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.14 -0.933 . . . . 0.0 110.92 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 mttt . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.77 0.319 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -85.98 -54.08 4.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -136.41 34.06 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -132.41 114.04 13.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.87 -55.29 0.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.2 m -86.89 175.27 8.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -133.79 169.24 17.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' CB ' ' HD3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -158.09 -57.26 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.148 179.81 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.461 ' HD3' ' CB ' ' A' ' 26' ' ' LYS . 37.3 Cg_exo -57.81 143.51 95.43 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.203 1.935 . . . . 0.0 112.267 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.8 m 61.06 88.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -164.54 -76.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.63 110.29 2.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.8 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.454 ' H ' HG21 ' A' ' 51' ' ' THR . 15.8 m-85 -85.31 -107.53 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.517 ' N ' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.43 138.5 34.77 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-O 120.835 0.35 . . . . 0.0 110.56 179.697 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.2 t -59.86 145.02 47.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.422 HD11 ' HG3' ' A' ' 84' ' ' GLN . 0.4 OUTLIER -148.6 -46.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.615 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.593 ' O ' ' HB ' ' A' ' 50' ' ' ILE . . . -164.13 135.08 3.6 Favored Glycine 0 C--O 1.227 -0.294 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.872 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.428 ' CG ' ' HA ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -108.81 159.46 16.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.114 0.483 . . . . 0.0 111.187 -179.481 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.559 HD12 ' HB ' ' A' ' 48' ' ' VAL . 0.2 OUTLIER -127.54 125.13 39.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.433 179.498 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.3 t -101.62 127.96 54.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.333 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -87.86 134.54 33.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.749 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 40' ' ' LEU . 3.9 mm? -90.22 106.45 18.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.83 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.549 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 2.1 mp -124.6 141.17 37.15 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.687 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.549 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 56.8 Cg_endo -73.24 -39.29 2.2 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.107 1.871 . . . . 0.0 112.316 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.57 -32.61 67.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.39 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.0 ptpp? 173.5 118.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.786 0.327 . . . . 0.0 110.809 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.471 ' HA ' HD12 ' A' ' 41' ' ' ILE . 4.3 mp0 -56.71 169.92 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -150.24 132.47 15.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.806 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.97 130.44 56.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.018 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.559 ' HB ' HD12 ' A' ' 37' ' ' LEU . 25.0 t -118.56 151.08 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.428 ' HA ' ' CG ' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -104.8 127.7 52.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.67 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.772 HG21 HD13 ' A' ' 82' ' ' LEU . 13.6 mm -111.3 125.9 68.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.136 0.493 . . . . 0.0 111.1 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.517 HG22 ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -96.94 168.1 10.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.583 179.872 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 2.8 p-10 -80.27 59.6 3.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.147 0.499 . . . . 0.0 110.223 179.181 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.566 ' C ' ' H ' ' A' ' 55' ' ' VAL . 10.1 ttt-85 -80.97 0.15 36.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.813 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.439 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 0.4 OUTLIER 71.88 -34.46 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -178.727 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.566 ' H ' ' C ' ' A' ' 53' ' ' ARG . 71.3 t -137.41 135.17 46.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.762 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.698 HG23 ' HB3' ' A' ' 65' ' ' ASP . 51.6 m -125.28 130.38 51.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.021 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.411 ' H ' ' CB ' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -103.74 120.22 40.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.983 0.42 . . . . 0.0 110.804 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.959 HG22 HD11 ' A' ' 68' ' ' LEU . 4.3 mp -107.92 128.43 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.029 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.75 -143.44 8.2 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.427 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.74 ' CG ' HG22 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -112.21 -17.83 12.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.607 0.241 . . . . 0.0 111.264 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.613 ' HB2' HG23 ' A' ' 75' ' ' THR . 0.4 OUTLIER -54.92 159.97 2.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.82 0.343 . . . . 0.0 111.041 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.56 -38.32 29.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -70.0 -21.56 63.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.254 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 21.7 m -53.64 141.28 26.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.094 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.698 ' HB3' HG23 ' A' ' 56' ' ' THR . 62.4 t0 -64.19 -47.93 77.86 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.903 0.382 . . . . 0.0 110.752 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.411 HG23 ' CG2' ' A' ' 56' ' ' THR . 21.5 t -117.83 133.09 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.243 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.7 pt -106.55 122.45 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.959 HD11 HG22 ' A' ' 58' ' ' ILE . 4.1 mp -70.08 -177.13 1.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.71 34.6 4.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.156 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.12 129.6 25.21 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.682 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.07 -13.98 41.8 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.474 2.116 . . . . 0.0 112.69 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -130.84 41.33 3.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.713 0.292 . . . . 0.0 111.14 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.743 ' CD1' HD22 ' A' ' 68' ' ' LEU . 2.4 tp -85.01 148.02 5.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.7 t -58.7 131.1 49.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.98 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.613 HG23 ' HB2' ' A' ' 61' ' ' SER . 74.3 m -64.91 -44.06 90.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.764 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.469 ' O ' ' C ' ' A' ' 77' ' ' HIS . 19.8 m-85 -100.6 13.76 33.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.273 0.558 . . . . 0.0 111.294 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.469 ' C ' ' O ' ' A' ' 76' ' ' PHE . 2.6 t-160 -14.69 -68.29 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.513 -1.221 . . . . 0.0 112.858 -179.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.85 ' HB3' ' CE2' ' A' ' 127' ' ' PHE . . . -162.39 164.02 27.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.969 0.414 . . . . 0.0 111.659 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.418 ' HG3' HD13 ' A' ' 98' ' ' ILE . 17.8 pt-20 -120.66 142.49 49.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.52 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.886 ' CE1' HG13 ' A' ' 97' ' ' VAL . 1.0 OUTLIER -119.53 126.23 50.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.871 -179.756 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.439 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 6.9 m-70 -94.84 116.13 28.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.893 0.378 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.772 HD13 HG21 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -106.74 109.91 21.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.788 179.654 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.3 mt -117.67 137.07 52.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.422 ' HG3' HD11 ' A' ' 34' ' ' LEU . 4.0 tt0 -108.86 125.43 51.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -134.52 125.57 27.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -94.26 115.94 28.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.8 m -122.68 122.85 67.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.03 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 61.21 -173.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.728 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -47.65 -29.28 2.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.221 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -97.93 -173.38 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -131.16 142.14 50.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.616 ' NH1' HD21 ' A' ' 94' ' ' LEU . 48.6 ttp85 -117.04 127.5 54.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.763 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.793 ' C ' HD22 ' A' ' 94' ' ' LEU . 3.4 m-80 -111.03 138.98 46.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.038 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.793 HD22 ' C ' ' A' ' 93' ' ' ASN . 3.9 mm? -132.05 138.96 48.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.633 HD13 HD23 ' A' ' 119' ' ' LEU . 2.5 mp -124.9 141.14 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.784 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -113.78 131.49 56.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.986 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.886 HG13 ' CE1' ' A' ' 80' ' ' PHE . 21.6 t -105.56 130.23 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.156 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.544 ' N ' HD12 ' A' ' 98' ' ' ILE . 3.5 mp -128.37 124.92 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.083 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -87.75 121.73 30.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.46 -23.04 53.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.039 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m 67.44 84.83 0.15 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.16 -48.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.797 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -118.22 -39.43 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.079 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 135.0 119.75 1.97 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 26.5 m -126.27 123.62 38.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.438 ' CE2' ' HB3' ' A' ' 111' ' ' ARG . 6.1 m-85 -120.94 137.21 54.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.596 HD12 ' H ' ' A' ' 108' ' ' ASN . 2.8 tp -123.01 137.19 57.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.466 0.651 . . . . 0.0 111.293 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.596 ' H ' HD12 ' A' ' 107' ' ' ILE . 13.8 m120 64.92 28.09 12.69 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.715 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.62 8.9 68.37 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.94 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -134.11 148.07 50.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.831 0.348 . . . . 0.0 110.959 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.438 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 5.5 ptm180 -66.76 130.69 43.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.8 pp -87.16 137.91 31.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.448 HG13 ' N ' ' A' ' 114' ' ' LYS . 12.2 p -121.8 -42.85 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.448 ' N ' HG13 ' A' ' 113' ' ' VAL . 27.1 mtmm -67.23 155.99 37.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -92.59 154.33 18.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.4 t0 60.02 73.19 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.818 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -83.23 137.73 33.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.541 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.0 tp -98.74 118.31 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.294 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.666 HD13 ' HE2' ' A' ' 80' ' ' PHE . 5.4 tt -103.18 135.62 44.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -122.73 171.03 9.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.425 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 4.8 p-10 -59.53 148.05 34.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.993 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 65.99 38.67 94.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.527 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -112.19 141.88 45.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.817 0.342 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.521 ' O ' HD12 ' A' ' 107' ' ' ILE . 8.3 ttm-85 -95.29 127.95 41.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.965 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.561 HD11 HD11 ' A' ' 119' ' ' LEU . 3.3 mp -124.91 138.05 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.1 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.7 t -122.89 123.9 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.85 ' CE2' ' HB3' ' A' ' 78' ' ' ALA . 3.3 m-85 -115.7 112.02 21.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 106.22 -74.04 0.22 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.508 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -178.54 -37.96 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.704 0.287 . . . . 0.0 111.084 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.0 p -115.0 -36.0 4.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.358 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 15.0 m -60.14 107.4 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.93 0.395 . . . . 0.0 111.071 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.7 p -124.19 138.48 54.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.698 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.431 ' N ' ' CD1' ' A' ' 133' ' ' PHE . 2.3 p90 -142.14 156.09 45.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.956 0.408 . . . . 0.0 111.324 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 8.8 tt -117.09 127.37 54.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.579 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.41 ' CZ ' ' HA3' ' A' ' 35' ' ' GLY . 59.1 t80 -99.25 141.59 31.83 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 122.015 0.912 . . . . 0.0 112.025 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt -154.54 146.73 23.76 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 113.732 -1.576 . . . . 0.0 110.677 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.489 ' HE1' HD11 ' A' ' 95' ' ' ILE . 3.7 m-85 -72.59 139.82 47.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.93 0.395 . . . . 0.0 110.908 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -129.04 117.3 20.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.055 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.8 t -132.51 81.19 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 13.7 p 58.46 -176.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.954 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 20.0 m -111.28 106.49 15.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 38.3 t -104.19 158.92 16.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.809 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 3.1 p -107.7 -178.69 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -137.52 140.65 41.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.958 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.594 ' O ' HG22 ' A' ' 145' ' ' ILE . 2.8 mp -102.8 25.05 1.41 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.39 0 CA-C-O 121.641 0.734 . . . . 0.0 111.313 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 61.95 168.03 0.11 Allowed 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 114.623 -1.171 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 60.68 102.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -95.11 94.67 8.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.48 -177.67 3.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -119.64 96.45 5.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.54 115.84 6.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.538 ' O ' HG22 ' A' ' 152' ' ' VAL . 10.9 p -104.05 54.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.064 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 16.6 m -136.03 153.41 51.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.61 92.77 4.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -115.1 148.68 38.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 4.1 t -109.82 -60.41 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 8.4 ptt-85 -109.44 114.65 28.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.8 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.5 m -68.86 164.96 20.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.1 t30 . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.825 0.345 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.437 HG22 ' P ' ' B' ' 5' ' ' TPO . 37.3 mm -84.86 146.26 6.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' TPO . . . . . 0.437 ' P ' HG22 ' B' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -150.96 163.24 24.37 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -69.16 173.33 10.59 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.501 2.134 . . . . 0.0 112.324 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -108.91 55.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 60.52 170.78 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.83 136.65 38.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.937 179.964 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.843 0.354 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -77.62 -172.48 2.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -136.21 139.01 42.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -143.04 36.84 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -84.9 78.12 9.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.9 t -94.46 82.84 4.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 62.95 -79.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.064 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -59.98 119.04 37.98 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.812 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -57.88 157.48 24.18 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.398 2.065 . . . . 0.0 112.26 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.8 t -64.76 82.82 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.4 p -128.07 -44.55 1.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -62.18 -176.78 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.845 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -108.62 -118.5 0.27 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.632 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.464 ' N ' HG22 ' A' ' 51' ' ' THR . 0.1 OUTLIER -140.14 138.82 35.54 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.957 0.408 . . . . 0.0 110.638 179.687 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.0 t -71.9 133.26 45.31 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.021 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.469 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -131.17 -43.05 1.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.914 179.8 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.48 ' C ' HG22 ' A' ' 50' ' ' ILE . . . -154.35 -178.46 28.76 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.511 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.435 ' CD2' ' HB3' ' A' ' 49' ' ' GLU . 22.1 m80 -144.5 154.73 43.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.933 0.396 . . . . 0.0 110.853 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.2 119.42 33.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.723 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.677 HG22 ' HG3' ' A' ' 47' ' ' LYS . 29.9 t -98.58 122.43 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.084 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -88.18 117.67 27.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.817 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.1 mt -84.81 106.77 16.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.777 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.552 HG23 ' HD2' ' A' ' 42' ' ' PRO . 4.2 mt -124.11 141.04 36.13 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.552 ' HD2' HG23 ' A' ' 41' ' ' ILE . 50.5 Cg_endo -72.28 81.07 1.52 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.12 1.88 . . . . 0.0 112.074 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.44 -19.08 1.32 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.39 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.94 169.88 1.94 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.738 0.304 . . . . 0.0 110.58 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -132.79 154.39 50.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 111.197 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -135.92 124.13 23.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.677 ' HG3' HG22 ' A' ' 38' ' ' VAL . 9.0 ttpt -112.97 125.37 54.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.8 t -120.59 137.08 55.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.435 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 0.3 OUTLIER -80.81 141.96 34.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.501 HD11 HG21 ' A' ' 56' ' ' THR . 0.7 OUTLIER -112.61 127.15 69.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.22 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.763 ' O ' HD23 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -96.84 168.13 10.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.924 -179.811 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -92.39 72.37 5.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.385 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.573 ' C ' ' H ' ' A' ' 55' ' ' VAL . 0.5 OUTLIER -99.37 13.59 32.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.681 -179.711 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.491 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 5.8 m-20 68.56 -30.38 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.134 -0.226 . . . . 0.0 110.546 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.573 ' H ' ' C ' ' A' ' 53' ' ' ARG . 58.1 t -137.44 135.13 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-O 121.026 0.441 . . . . 0.0 111.808 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.784 HG23 ' CB ' ' A' ' 65' ' ' ASP . 53.4 m -125.54 130.79 52.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.9 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -105.65 141.34 37.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.087 0.47 . . . . 0.0 111.53 -179.394 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.473 HD13 ' CD1' ' A' ' 80' ' ' PHE . 4.6 mp -132.27 126.2 55.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.011 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.14 -130.08 2.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.977 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.442 ' HB2' ' CG2' ' A' ' 73' ' ' ILE . 0.1 OUTLIER -112.06 -32.34 6.6 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.727 0.299 . . . . 0.0 111.147 -179.647 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.62 ' HB2' HG23 ' A' ' 75' ' ' THR . 0.3 OUTLIER -42.33 147.17 0.27 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.561 -179.489 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.6 ttm-85 -72.93 -32.52 65.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.9 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.91 -16.09 58.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.358 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 11.3 m -53.11 151.05 5.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.74 0.305 . . . . 0.0 111.098 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.784 ' CB ' HG23 ' A' ' 56' ' ' THR . 2.3 m-20 -68.94 -55.87 9.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.003 0.43 . . . . 0.0 110.781 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -124.37 126.26 71.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.351 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.0 pt -98.49 122.55 50.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.925 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.588 HD12 HD11 ' A' ' 73' ' ' ILE . 40.1 mt -84.35 -120.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 2.2 m -56.99 -97.26 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 69' ' ' SER . 6.5 mm-40 154.71 -66.95 0.0 OUTLIER Pre-proline 0 N--CA 1.468 0.438 0 C-N-CA 122.426 0.29 . . . . 0.0 111.077 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 70' ' ' GLU . 41.7 Cg_endo -67.51 -18.93 49.2 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.436 2.091 . . . . 0.0 113.41 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -135.88 25.23 3.35 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.588 HD11 HD12 ' A' ' 68' ' ' LEU . 5.4 tp -104.94 124.74 59.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.077 0.465 . . . . 0.0 111.501 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.418 ' O ' ' HB2' ' A' ' 77' ' ' HIS . 4.8 m -65.99 137.2 56.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.209 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.795 HG21 ' HA ' ' B' ' 4' ' ' ILE . 91.1 m -66.43 -39.39 88.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.843 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.421 ' O ' ' C ' ' A' ' 77' ' ' HIS . 6.1 m-85 -97.19 13.89 27.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.191 0.519 . . . . 0.0 111.69 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.447 ' CE1' ' HB3' ' A' ' 127' ' ' PHE . 1.7 t-160 -26.47 -69.01 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.826 -1.079 . . . . 0.0 112.585 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.498 ' HB2' ' CE1' ' A' ' 127' ' ' PHE . . . -155.96 159.39 39.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.191 0.52 . . . . 0.0 112.161 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.41 133.05 50.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.937 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.631 ' CE2' HG22 ' A' ' 97' ' ' VAL . 7.6 m-85 -119.36 128.41 54.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.808 0.337 . . . . 0.0 111.064 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.491 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 50.2 m80 -95.03 116.65 28.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.763 HD23 ' O ' ' A' ' 51' ' ' THR . 27.8 tp -106.12 109.59 21.58 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.943 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.409 HD22 ' C ' ' A' ' 82' ' ' LEU . 3.9 mm? -122.26 140.02 53.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.009 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.39 120.97 39.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.787 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.03 150.51 44.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -107.11 116.53 32.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.558 HG21 ' HD3' ' A' ' 92' ' ' ARG . 6.3 m -113.35 120.61 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.028 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.84 -61.53 0.47 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -166.47 -42.53 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.809 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -68.18 -171.06 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.686 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -126.88 127.89 45.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.999 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.558 ' HD3' HG21 ' A' ' 87' ' ' VAL . 2.5 ttp180 -112.21 121.65 45.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.804 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.502 ' C ' HD12 ' A' ' 94' ' ' LEU . 4.6 m-80 -108.58 130.28 55.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.088 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.502 HD12 ' C ' ' A' ' 93' ' ' ASN . 7.2 mp -132.1 136.67 47.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.571 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.569 ' HB ' HD22 ' A' ' 119' ' ' LEU . 4.2 mp -117.77 140.83 39.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.885 0.374 . . . . 0.0 111.372 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -114.66 124.52 52.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.638 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.631 HG22 ' CE2' ' A' ' 80' ' ' PHE . 13.9 t -96.6 135.28 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.929 0.395 . . . . 0.0 111.606 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.469 HD11 ' CE1' ' A' ' 81' ' ' HIS . 11.9 mt -121.82 120.76 62.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.605 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.64 117.72 35.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.05 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -147.58 53.74 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.819 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -139.5 173.77 11.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.62 -23.64 9.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.41 -34.43 48.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.72 0.295 . . . . 0.0 111.493 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 113.82 126.18 4.34 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.556 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.469 ' CG2' ' CE1' ' A' ' 127' ' ' PHE . 66.5 m -132.08 123.16 26.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.777 0.322 . . . . 0.0 110.836 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.426 ' CE2' ' HB3' ' A' ' 111' ' ' ARG . 61.7 m-85 -121.16 124.15 44.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.726 HG21 HD12 ' A' ' 112' ' ' LEU . 0.7 OUTLIER -122.99 137.07 57.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.441 0.638 . . . . 0.0 111.211 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.456 ' N ' HG13 ' A' ' 107' ' ' ILE . 51.4 m-20 60.04 28.42 17.96 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.669 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.67 13.05 74.63 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.9 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -131.57 137.64 48.53 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.866 0.365 . . . . 0.0 110.542 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.426 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -65.28 132.42 49.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.726 HD12 HG21 ' A' ' 107' ' ' ILE . 2.3 tt -89.11 133.88 34.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.981 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.416 HG23 ' N ' ' A' ' 114' ' ' LYS . 5.7 m -138.24 -46.77 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.416 ' N ' HG23 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -59.62 158.8 9.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.985 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.75 158.08 15.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 38.4 t70 59.67 64.06 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -84.07 138.4 33.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.075 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.485 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.3 tp -98.66 121.78 49.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.569 HD22 ' HB ' ' A' ' 95' ' ' ILE . 6.4 tt -103.15 136.83 42.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.171 0.51 . . . . 0.0 111.8 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -118.68 155.77 30.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.357 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.603 ' HB2' ' CE2' ' A' ' 137' ' ' TYR . 1.7 m-80 -77.09 148.23 36.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.152 0.501 . . . . 0.0 111.542 -178.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 87.63 37.56 7.98 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.476 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.71 ' O ' HD22 ' A' ' 134' ' ' LEU . 0.8 OUTLIER -132.54 164.14 27.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.951 0.405 . . . . 0.0 111.269 -179.491 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -100.91 127.12 47.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.956 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.426 ' HB ' ' CZ ' ' A' ' 133' ' ' PHE . 3.1 mp -118.4 121.93 68.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 20.5 t -111.56 123.92 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.305 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.498 ' CE1' ' HB2' ' A' ' 78' ' ' ALA . 9.8 m-85 -121.09 132.24 54.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.817 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 92.72 -69.96 1.65 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.275 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.2 -34.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.628 0.251 . . . . 0.0 111.311 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 79.1 p -120.77 -38.15 2.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.668 0.27 . . . . 0.0 111.642 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 28.7 m -53.04 105.09 0.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.979 0.419 . . . . 0.0 111.247 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 59.9 p -124.39 135.07 53.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.445 ' N ' ' CD1' ' A' ' 133' ' ' PHE . 2.4 p90 -142.16 156.07 45.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.913 0.387 . . . . 0.0 111.19 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.71 HD22 ' O ' ' A' ' 123' ' ' ASP . 0.3 OUTLIER -114.96 112.88 23.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.583 179.542 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.483 ' HD2' HD21 ' A' ' 119' ' ' LEU . 22.2 t80 -91.85 140.96 29.17 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 121.637 0.732 . . . . 0.0 111.035 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.51 ' HE2' HD12 ' A' ' 134' ' ' LEU . 10.5 mtmt -154.93 157.88 38.42 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.0 -1.454 . . . . 0.0 111.279 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.603 ' CE2' ' HB2' ' A' ' 121' ' ' ASN . 57.2 m-85 -76.28 140.87 41.73 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.187 0.517 . . . . 0.0 110.349 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -117.85 31.57 6.63 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.1 t -102.21 -31.15 10.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 8.5 p -153.22 58.94 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 83.4 p -105.66 -60.91 1.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.8 t -113.01 -67.67 0.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 2.1 m 57.3 96.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.987 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -149.99 97.97 2.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.606 ' O ' HG22 ' A' ' 145' ' ' ILE . 20.1 mt -109.62 24.91 3.26 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-O 121.733 0.778 . . . . 0.0 111.386 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -118.37 143.42 46.65 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 114.548 -1.206 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -105.7 112.88 26.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.7 171.19 7.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.02 155.69 20.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -95.22 -54.6 3.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.71 171.59 11.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.976 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 11.4 p -165.71 141.6 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.9 p -147.12 132.1 18.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 11.1 p 59.74 110.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -86.15 -47.01 9.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 33.6 t 60.32 -174.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.03 -45.26 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 27.1 p -122.05 130.28 53.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.923 179.922 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.9 0.381 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.795 ' HA ' HG21 ' A' ' 75' ' ' THR . 21.6 mt 65.1 74.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.161 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? 63.53 119.22 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.91 178.92 4.17 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.401 2.067 . . . . 0.0 112.33 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -100.1 160.65 14.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -81.82 87.8 6.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 22.8 t -110.43 -170.97 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.0 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.942 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.8 0.333 . . . . 0.0 111.254 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 tpt85 -85.79 117.83 24.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.018 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -99.02 -66.17 0.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.947 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -93.24 119.42 32.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -117.01 -40.25 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.951 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.6 t -82.72 133.8 35.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 60.35 159.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.418 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 3.1 mttp -87.75 -51.95 0.4 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.418 ' CD ' ' N ' ' A' ' 26' ' ' LYS . 32.9 Cg_exo -57.8 159.0 18.62 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.485 2.123 . . . . 0.0 112.262 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.6 m -114.87 164.38 14.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.821 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 m -145.8 -68.23 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.43 118.8 23.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.008 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.4 ' HB2' ' CG2' ' A' ' 51' ' ' THR . 5.0 m-85 -104.92 -113.26 0.25 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.544 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.404 ' N ' HG22 ' A' ' 51' ' ' THR . 0.1 OUTLIER -140.26 128.94 23.03 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.825 0.345 . . . . 0.0 110.591 179.77 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.68 145.06 53.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.444 HD21 ' OD1' ' A' ' 93' ' ' ASN . 9.8 tp -150.81 -46.87 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.834 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.772 ' C ' HG22 ' A' ' 50' ' ' ILE . . . -139.05 -179.11 17.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.393 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.67 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 50.1 m80 -145.04 163.06 35.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.902 0.382 . . . . 0.0 111.02 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.567 HD11 ' HB ' ' A' ' 50' ' ' ILE . 3.1 mp -127.13 111.47 14.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.738 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.7 t -95.89 121.77 46.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.993 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -90.09 124.86 35.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -80.65 106.64 12.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.804 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.811 HD12 ' O ' ' A' ' 44' ' ' LYS . 2.7 mt -124.15 139.8 33.49 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.795 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.567 ' HD2' HG22 ' A' ' 41' ' ' ILE . 73.7 Cg_endo -76.44 -3.65 14.07 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.358 2.039 . . . . 0.0 112.66 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -113.78 -28.82 3.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.435 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.811 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER 176.06 120.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.729 0.299 . . . . 0.0 110.777 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -71.51 154.65 41.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.022 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -129.06 141.16 51.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.773 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -113.13 129.46 56.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.014 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.6 t -122.64 140.9 45.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.939 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.18 137.5 33.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.914 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.772 HG22 ' C ' ' A' ' 35' ' ' GLY . 1.3 tt -116.12 132.14 66.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.404 HG22 ' N ' ' A' ' 32' ' ' THR . 0.5 OUTLIER -100.9 166.9 10.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.047 -179.7 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.09 69.2 10.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.018 0.437 . . . . 0.0 110.47 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.587 ' C ' ' H ' ' A' ' 55' ' ' VAL . 18.1 ttt180 -87.08 8.38 23.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.831 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.479 ' HB2' ' O ' ' A' ' 53' ' ' ARG . 13.9 m-80 69.23 -36.79 0.35 Allowed 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 -178.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.587 ' H ' ' C ' ' A' ' 53' ' ' ARG . 78.8 t -137.47 135.35 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.263 179.16 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.751 HG23 ' CB ' ' A' ' 65' ' ' ASP . 96.2 m -125.26 130.11 51.39 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.496 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.415 ' N ' ' HB2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.97 138.71 40.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.864 0.364 . . . . 0.0 111.051 -179.814 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.595 HD12 ' N ' ' A' ' 58' ' ' ILE . 3.8 mp -124.22 119.41 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.68 -132.95 2.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.392 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.553 ' CD ' HG22 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -119.98 -21.14 7.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.644 0.259 . . . . 0.0 111.432 -179.855 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.52 154.9 0.85 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.871 0.367 . . . . 0.0 111.154 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -73.97 -42.34 60.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.967 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.3 m -69.95 -17.89 63.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.212 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 21.8 m -55.73 161.82 1.99 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.957 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.751 ' CB ' HG23 ' A' ' 56' ' ' THR . 0.9 OUTLIER -82.63 -66.63 0.87 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.026 0.441 . . . . 0.0 110.886 179.787 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.2 t -101.7 104.18 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.07 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.405 ' O ' HD12 ' A' ' 67' ' ' ILE . 1.9 pp -92.04 116.87 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.25 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.618 HD13 HD11 ' A' ' 73' ' ' ILE . 0.6 OUTLIER -87.74 164.95 15.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 179.845 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.4 t -104.7 65.36 0.75 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -125.8 133.85 25.31 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.05 -16.14 48.54 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.513 2.142 . . . . 0.0 112.547 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -125.02 27.35 6.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.71 0.29 . . . . 0.0 111.258 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.618 HD11 HD13 ' A' ' 68' ' ' LEU . 2.5 tp -76.26 124.05 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.367 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.0 m -62.29 132.14 51.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.281 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.6 m -67.5 -43.62 80.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.719 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 77' ' ' HIS . 0.2 OUTLIER -97.49 13.79 28.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.235 179.768 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -20.09 -71.99 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.599 -1.182 . . . . 0.0 112.805 -179.351 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . . . -155.7 164.03 39.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.15 0.5 . . . . 0.0 112.063 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -129.45 133.3 47.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.218 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.674 ' CE2' HG22 ' A' ' 97' ' ' VAL . 7.1 m-85 -119.43 131.07 55.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.037 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.433 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 11.0 m-70 -94.83 116.39 28.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.922 0.392 . . . . 0.0 111.129 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.57 109.55 21.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.746 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.07 140.05 52.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.105 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -103.91 138.29 40.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.5 ttt -155.01 137.65 15.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.962 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -107.0 139.95 40.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.96 139.08 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.3 t0 69.7 -65.33 0.31 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 2.3 t30 179.34 38.18 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.401 ' CG ' ' O ' ' A' ' 89' ' ' ASN . 78.6 m-85 -157.7 158.82 36.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.806 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -99.88 127.97 46.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -112.94 150.53 31.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.748 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.444 ' OD1' HD21 ' A' ' 34' ' ' LEU . 36.4 m-20 -114.06 120.02 39.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.043 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.0 mt -115.04 125.59 53.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.57 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.614 ' N ' HD12 ' A' ' 95' ' ' ILE . 2.8 mp -118.62 141.06 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.23 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.94 144.22 43.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.766 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.674 HG22 ' CE2' ' A' ' 80' ' ' PHE . 20.9 t -112.82 123.42 68.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.165 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.67 HG23 ' HE3' ' A' ' 115' ' ' LYS . 4.1 mp -130.04 121.21 51.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.469 ' HB2' HD13 ' A' ' 112' ' ' LEU . 0.3 OUTLIER -111.25 126.56 55.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -94.21 3.73 54.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.431 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.4 m 58.81 92.62 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.76 0.314 . . . . 0.0 111.008 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 14.1 mmt-85 -121.74 -71.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.762 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -112.4 -34.93 5.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 145.57 116.23 1.01 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.555 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.432 ' CG2' ' CE1' ' A' ' 127' ' ' PHE . 1.0 OUTLIER -131.99 130.56 41.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.341 . . . . 0.0 110.91 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -119.77 136.39 54.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.451 HG21 ' HG ' ' A' ' 112' ' ' LEU . 3.1 tp -122.1 137.19 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.451 0.643 . . . . 0.0 111.217 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.429 ' H ' HD12 ' A' ' 107' ' ' ILE . 56.5 m-20 59.87 29.61 19.17 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.681 -179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.7 13.1 74.79 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.836 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -134.15 151.97 51.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.769 0.319 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 129.88 41.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.469 HD13 ' HB2' ' A' ' 99' ' ' ASP . 1.2 tt -75.87 125.91 29.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.582 ' O ' HG22 ' A' ' 113' ' ' VAL . 10.3 p -143.87 51.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.087 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -165.13 148.92 8.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.67 ' HE3' HG23 ' A' ' 98' ' ' ILE . 1.6 tpmp? -97.08 151.97 19.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 34.9 t0 62.83 58.51 1.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.08 137.79 33.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.731 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.546 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.6 tp -98.66 118.03 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.34 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.538 ' C ' HD23 ' A' ' 119' ' ' LEU . 9.4 tt -103.1 134.63 46.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.466 ' N ' HD23 ' A' ' 119' ' ' LEU . 3.4 tptt -125.77 178.15 5.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.821 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.428 ' HB2' ' CE2' ' A' ' 137' ' ' TYR . 9.1 t30 -53.67 143.67 19.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.52 51.37 26.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.459 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.12 120.84 40.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.829 0.347 . . . . 0.0 111.057 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.598 ' HG2' HD12 ' A' ' 134' ' ' LEU . 1.4 mmt85 -91.85 125.74 36.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.745 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.471 HD11 HD11 ' A' ' 119' ' ' LEU . 2.2 mp -126.65 137.87 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.325 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 28.7 t -120.0 127.58 75.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 78' ' ' ALA . 3.3 m-85 -114.56 137.61 51.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.118 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 80.99 -67.49 3.59 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.446 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.6 -34.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.762 0.315 . . . . 0.0 111.044 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.31 -42.03 3.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.271 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 51.8 m -54.16 106.03 0.18 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.928 0.394 . . . . 0.0 111.102 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.3 m -124.2 128.67 49.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.78 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.438 ' CE1' ' HB ' ' A' ' 125' ' ' ILE . 12.2 p90 -141.98 155.86 45.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.087 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.598 HD12 ' HG2' ' A' ' 124' ' ' ARG . 10.1 tt -118.55 139.4 51.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.765 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.499 ' HE2' HG21 ' A' ' 50' ' ' ILE . 21.5 t80 -100.45 141.51 33.2 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 122.023 0.916 . . . . 0.0 111.769 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -154.63 159.74 41.0 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 113.807 -1.542 . . . . 0.0 110.906 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.442 ' CE1' ' HB2' ' A' ' 93' ' ' ASN . 4.4 m-85 -86.11 139.99 30.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.995 0.426 . . . . 0.0 110.634 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.67 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . . . -84.23 89.77 7.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.262 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 29.1 t -156.93 163.25 39.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 22.7 t -131.84 -65.32 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 66.7 m -130.32 139.33 50.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.8 m -129.54 31.42 4.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 10.7 m -89.52 -48.55 7.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -171.03 100.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.593 ' O ' HG22 ' A' ' 145' ' ' ILE . 19.3 mt -102.54 25.05 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.329 0 CA-C-O 121.691 0.758 . . . . 0.0 111.314 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -106.68 106.56 17.14 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 114.581 -1.19 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.61 -49.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -155.75 116.87 3.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.11 -68.1 0.83 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -115.84 -62.19 1.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -126.47 -176.91 3.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 31.1 m -90.17 51.38 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 70.8 m -97.54 -176.84 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 8.6 p -154.73 -65.33 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.19 109.58 21.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 29.3 t -65.1 143.41 57.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.47 102.47 8.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.979 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.9 m -141.83 166.09 25.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 120.779 0.323 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.1 142.63 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' TPO . . . . . 0.62 ' O3P' HG22 ' B' ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -63.38 114.11 11.86 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.829 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -56.05 -165.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.462 2.108 . . . . 0.0 112.271 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' TPO . . . . . 0.451 HG23 ' N ' ' B' ' 9' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.451 ' N ' HG23 ' B' ' 8' ' ' TPO . 1.3 tm0? -139.94 170.07 16.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.18 93.96 9.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.767 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.21 156.68 31.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.898 179.959 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.819 0.342 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -103.53 102.25 12.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -111.83 128.43 56.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.06 31.36 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -162.54 138.34 7.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.7 p -143.65 176.64 9.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -147.31 -47.36 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -130.43 150.83 77.34 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -57.86 157.54 23.88 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.521 2.148 . . . . 0.0 112.21 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.0 m -115.55 -58.3 2.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m -152.98 152.63 31.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -74.1 179.39 4.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -69.8 -101.88 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.493 ' C ' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.51 128.68 22.28 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-O 120.725 0.298 . . . . 0.0 110.633 179.66 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.6 t -76.47 128.37 34.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.84 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 tt -144.9 -44.73 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.192 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.696 ' C ' HG22 ' A' ' 50' ' ' ILE . . . -126.97 173.03 18.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.648 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.434 ' CD2' ' HA ' ' A' ' 49' ' ' GLU . 50.8 m80 -145.47 163.23 35.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mt -124.76 126.31 45.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.799 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.7 t -108.9 123.57 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.099 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -89.92 120.18 30.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.752 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.659 ' O ' HD13 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -86.5 106.94 17.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 -179.874 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.659 HD13 ' O ' ' A' ' 40' ' ' LEU . 9.1 mm -124.15 141.3 36.89 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.53 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.553 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 45.7 Cg_endo -70.97 -3.87 13.68 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.183 1.922 . . . . 0.0 112.895 -179.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -114.71 -9.3 14.45 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.589 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.23 -175.26 0.06 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.757 0.313 . . . . 0.0 110.801 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -137.56 136.22 37.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.843 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -120.96 135.69 55.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.97 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -113.09 130.98 55.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.8 t -120.55 149.76 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.434 ' HA ' ' CD2' ' A' ' 36' ' ' HIS . 1.5 pt-20 -101.77 132.37 47.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.691 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.696 HG22 ' C ' ' A' ' 35' ' ' GLY . 2.7 tt -115.34 132.08 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.122 0.486 . . . . 0.0 111.359 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.792 ' O ' HD23 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -99.8 168.02 10.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.988 -179.621 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -80.92 62.03 4.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.097 0.475 . . . . 0.0 110.114 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.549 ' C ' ' H ' ' A' ' 55' ' ' VAL . 9.0 ttt85 -80.16 1.47 28.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.158 -179.339 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.411 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 10.0 t-20 71.9 -36.3 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -178.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.549 ' H ' ' C ' ' A' ' 53' ' ' ARG . 74.8 t -137.28 139.15 44.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.781 179.359 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.693 HG23 ' HB3' ' A' ' 65' ' ' ASP . 53.7 m -125.27 125.18 43.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.165 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.2 OUTLIER -103.83 120.41 40.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.94 0.4 . . . . 0.0 110.831 -179.849 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.89 HG22 HD11 ' A' ' 68' ' ' LEU . 6.8 mt -109.33 122.17 63.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.077 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.44 -154.55 20.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.484 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.427 ' CG ' HG22 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -93.36 -26.58 17.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.666 0.27 . . . . 0.0 110.983 -179.904 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.702 ' HB2' HG23 ' A' ' 75' ' ' THR . 3.2 t -51.29 150.8 3.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.07 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -75.89 -33.49 59.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.1 m -69.79 -20.58 63.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.048 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 3.4 m -53.17 135.29 38.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.058 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.693 ' HB3' HG23 ' A' ' 56' ' ' THR . 8.4 t70 -58.19 -41.01 82.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.062 0.458 . . . . 0.0 110.615 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.8 t -124.86 111.9 29.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.587 ' H ' HD12 ' A' ' 67' ' ' ILE . 3.1 mp -92.88 118.53 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.15 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.89 HD11 HG22 ' A' ' 58' ' ' ILE . 4.9 mp -72.17 -176.06 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 m -112.24 27.29 9.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.265 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.417 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 0.2 OUTLIER -105.36 120.36 49.83 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.58 179.688 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -57.68 -16.17 23.7 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.506 2.137 . . . . 0.0 112.865 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -133.48 37.2 3.34 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.583 0.23 . . . . 0.0 111.591 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.88 HG12 HD13 ' A' ' 68' ' ' LEU . 3.6 tp -75.99 146.56 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.308 . . . . 0.0 110.838 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.09 130.51 46.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.234 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.702 HG23 ' HB2' ' A' ' 61' ' ' SER . 60.4 m -68.39 -44.07 75.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.633 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 77' ' ' HIS . 49.6 m-85 -100.66 13.89 33.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.162 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.5 ' CD2' ' CD2' ' A' ' 127' ' ' PHE . 2.7 t60 -21.96 -67.48 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.584 -1.189 . . . . 0.0 112.656 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . . . -156.28 161.92 40.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.965 0.412 . . . . 0.0 111.774 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -128.67 133.99 48.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.496 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.837 ' CE2' HG22 ' A' ' 97' ' ' VAL . 7.6 m-85 -119.54 127.28 52.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.857 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.411 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 11.1 m170 -94.86 116.47 28.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.902 0.382 . . . . 0.0 111.364 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.792 HD23 ' O ' ' A' ' 51' ' ' THR . 22.8 tp -106.62 109.66 21.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.572 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.482 HD23 ' N ' ' A' ' 84' ' ' GLN . 1.3 tt -122.14 140.07 52.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.482 ' N ' HD23 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -100.5 121.0 40.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.74 179.879 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.2 138.57 51.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -103.38 115.9 31.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.517 HG12 ' HG2' ' A' ' 92' ' ' ARG . 11.3 p -140.0 127.17 23.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.033 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 65.64 -171.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.765 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.83 -57.4 5.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.285 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -84.87 -176.46 6.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -128.23 143.28 51.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.517 ' HG2' HG12 ' A' ' 87' ' ' VAL . 5.1 ptp180 -117.03 146.0 43.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.956 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -113.95 126.6 55.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 11.7 mt -108.39 135.79 49.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' ' 95' ' ' ILE . 4.1 mp -121.36 136.78 57.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.152 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.5 144.11 43.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.734 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.837 HG22 ' CE2' ' A' ' 80' ' ' PHE . 21.8 t -110.05 129.73 64.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.255 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.9 mm -126.25 130.46 72.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.059 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -130.24 130.35 44.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.45 9.48 37.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.399 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 m 59.11 109.55 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.855 0.359 . . . . 0.0 111.074 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.28 -47.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.805 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -127.24 -43.62 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.177 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 145.17 110.91 0.7 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.436 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.78 123.56 41.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.34 . . . . 0.0 111.039 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -120.98 137.44 54.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.544 HD12 ' O ' ' A' ' 124' ' ' ARG . 3.2 tp -122.93 137.19 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.451 0.643 . . . . 0.0 111.374 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.519 ' H ' HD12 ' A' ' 107' ' ' ILE . 13.7 m120 64.35 27.46 13.7 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.794 -179.495 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.67 10.77 72.09 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.975 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -134.06 150.7 51.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.785 0.326 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.93 136.45 54.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.459 ' O ' HD12 ' A' ' 112' ' ' LEU . 4.4 pp -77.37 141.72 39.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.974 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.481 HG13 ' N ' ' A' ' 114' ' ' LYS . 11.1 p -128.5 -44.91 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.098 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.481 ' N ' HG13 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -78.44 158.01 28.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -94.22 153.22 18.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.978 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.6 t70 60.1 75.32 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -84.07 139.16 32.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.534 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.2 tp -98.55 119.26 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.205 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.753 HD11 HD11 ' A' ' 125' ' ' ILE . 10.5 tt -103.02 139.48 38.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.017 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.419 ' N ' HD23 ' A' ' 119' ' ' LEU . 8.9 mtpt -135.05 178.07 7.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.809 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 8.2 p-10 -57.04 140.52 48.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 74.71 37.45 45.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.398 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.64 129.0 56.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.727 0.298 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.698 ' HG3' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -101.65 129.56 47.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.753 HD11 HD11 ' A' ' 119' ' ' LEU . 2.0 mp -124.09 136.28 60.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.013 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.565 HG22 ' OG ' ' A' ' 132' ' ' SER . 38.0 t -115.04 128.51 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.133 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.533 ' CZ ' ' HB3' ' A' ' 78' ' ' ALA . 2.8 m-85 -110.37 140.32 44.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 72.35 -64.67 1.35 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.436 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 170.26 -35.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.753 0.311 . . . . 0.0 110.951 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.3 -42.8 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.511 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 71.8 m -55.55 107.09 0.29 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.148 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.565 ' OG ' HG22 ' A' ' 126' ' ' VAL . 4.3 m -124.23 128.86 49.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.822 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.433 ' CE2' ' HB ' ' A' ' 125' ' ' ILE . 16.4 p90 -142.0 156.1 45.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.917 0.389 . . . . 0.0 111.065 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.698 HD12 ' HG3' ' A' ' 124' ' ' ARG . 6.0 tt -120.56 138.93 53.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.746 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.444 ' HE1' HG21 ' A' ' 50' ' ' ILE . 81.9 t80 -103.45 141.71 35.51 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 121.979 0.895 . . . . 0.0 111.849 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -154.27 147.43 24.74 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 113.848 -1.523 . . . . 0.0 110.701 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.469 ' N ' ' CD1' ' A' ' 137' ' ' TYR . 0.5 OUTLIER -78.64 139.48 38.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.919 0.39 . . . . 0.0 110.841 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -107.57 130.21 54.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.087 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 57.2 p -121.24 88.61 2.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.44 30.56 20.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 18.6 p -67.45 146.71 53.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.1 t -133.48 155.45 49.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 37.1 p -139.92 35.87 1.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.85 144.91 13.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.586 ' O ' HG22 ' A' ' 145' ' ' ILE . 19.6 mm -102.5 25.34 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 CA-C-O 121.651 0.739 . . . . 0.0 111.359 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 61.54 32.81 18.66 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 114.581 -1.19 . . . . 0.0 110.832 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -154.84 94.95 1.71 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -148.39 -48.32 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -81.27 114.24 19.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.43 163.03 17.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -153.45 131.79 12.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 26.3 t -119.85 122.65 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.138 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.7 m -123.16 48.22 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.89 -65.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -152.08 129.25 11.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 1.7 p -80.91 -177.54 6.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 3.7 mmt-85 -66.53 136.53 55.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 14.3 p -129.35 -45.83 1.22 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.4 m120 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.811 0.339 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 19.4 mt -119.6 148.63 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.079 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' TPO . . . . . 0.634 ' O3P' HG22 ' B' ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -114.08 150.42 43.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.39 -168.11 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.597 2.198 . . . . 0.0 112.326 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -123.89 54.46 1.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.986 0.422 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 59.51 -170.78 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 55.9 m -90.97 -178.03 5.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.881 180.0 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.814 0.34 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 60.0 107.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.6 93.31 4.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -146.35 -68.68 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -70.13 -46.41 64.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.808 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.5 m 60.19 177.76 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -157.16 139.14 14.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.1 132.24 21.56 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.84 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -57.81 147.13 82.7 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.383 2.055 . . . . 0.0 112.205 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.49 149.08 25.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 m -98.6 30.24 3.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.95 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.16 119.8 24.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.406 ' N ' HG21 ' A' ' 51' ' ' THR . 4.2 m-85 -67.08 -99.86 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.553 ' N ' HG22 ' A' ' 51' ' ' THR . 0.0 OUTLIER -140.41 130.24 24.52 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.755 0.312 . . . . 0.0 110.488 179.752 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.89 144.97 47.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.088 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.597 ' O ' HD13 ' A' ' 34' ' ' LEU . 1.2 tm? -150.1 -46.1 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.775 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.714 ' C ' HG22 ' A' ' 50' ' ' ILE . . . -149.99 -175.77 22.47 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.366 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -147.15 162.41 38.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.897 0.38 . . . . 0.0 111.072 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.5 mp -126.9 124.68 40.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.638 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.56 121.96 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.073 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -89.43 113.96 25.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -77.7 106.83 9.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.414 HG22 ' HD2' ' A' ' 42' ' ' PRO . 8.0 mt -124.08 138.96 31.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.962 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.414 ' HD2' HG22 ' A' ' 41' ' ' ILE . 52.4 Cg_exo -52.59 -25.73 26.81 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.489 2.126 . . . . 0.0 112.523 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.25 -29.74 18.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.563 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.24 -167.79 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.48 129.83 50.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.971 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.32 127.67 49.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.63 130.25 46.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.034 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 37.6 t -122.45 149.52 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -101.93 135.5 43.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.958 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.714 HG22 ' C ' ' A' ' 35' ' ' GLY . 1.8 tt -116.13 132.06 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.167 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.553 HG22 ' N ' ' A' ' 32' ' ' THR . 0.4 OUTLIER -101.62 168.05 9.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.994 -179.717 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -92.45 66.8 4.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.148 0.499 . . . . 0.0 110.332 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.574 ' C ' ' H ' ' A' ' 55' ' ' VAL . 14.8 ttt85 -85.37 7.58 21.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.996 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.432 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 1.0 OUTLIER 71.73 -38.4 0.42 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 -178.684 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.574 ' H ' ' C ' ' A' ' 53' ' ' ARG . 77.7 t -137.35 135.2 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.255 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.777 HG23 ' CB ' ' A' ' 65' ' ' ASP . 97.2 m -125.2 131.33 53.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.449 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.41 ' N ' ' HB2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.88 137.32 42.05 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.935 0.398 . . . . 0.0 110.875 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.656 HG22 HD11 ' A' ' 68' ' ' LEU . 26.9 mt -121.59 119.07 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.15 -140.67 6.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.295 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.615 ' HD2' HG22 ' A' ' 73' ' ' ILE . 8.5 ttt-85 -113.1 -21.21 11.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.67 0.271 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.766 ' HA ' HG21 ' B' ' 5' ' ' TPO . 0.1 OUTLIER -47.6 152.21 0.72 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.9 0.381 . . . . 0.0 111.304 -179.822 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.35 -40.34 67.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.6 t -72.1 -19.56 61.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.367 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 18.0 m -54.85 160.02 2.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.726 0.298 . . . . 0.0 111.004 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.777 ' CB ' HG23 ' A' ' 56' ' ' THR . 1.0 OUTLIER -80.7 -66.07 0.93 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.01 0.433 . . . . 0.0 110.845 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.6 t -97.6 108.44 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.181 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.7 pt -91.92 104.9 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.045 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.733 HD13 HG12 ' A' ' 73' ' ' ILE . 4.3 mp -72.37 -176.79 1.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.42 37.23 4.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.95 124.24 44.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.701 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -56.0 -18.62 23.2 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.475 2.117 . . . . 0.0 112.713 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -127.77 33.31 4.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.694 0.283 . . . . 0.0 111.215 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.733 HG12 HD13 ' A' ' 68' ' ' LEU . 4.2 tp -76.15 125.31 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 111.065 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.42 ' HB3' ' CG ' ' A' ' 77' ' ' HIS . 26.5 t -57.06 131.99 51.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.3 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.6 m -63.07 -44.02 96.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.732 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.461 ' O ' ' C ' ' A' ' 77' ' ' HIS . 7.5 m-85 -103.95 13.81 31.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.3 0.571 . . . . 0.0 111.263 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' A' ' 76' ' ' PHE . 1.8 t-160 -16.03 -68.38 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.548 -1.205 . . . . 0.0 112.909 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.55 160.24 42.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.092 0.472 . . . . 0.0 112.058 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -125.61 133.63 52.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.132 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.617 ' CE2' HG22 ' A' ' 97' ' ' VAL . 7.2 m-85 -119.43 131.03 55.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.786 0.326 . . . . 0.0 111.107 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.432 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 7.8 m-70 -94.99 116.29 28.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.905 0.383 . . . . 0.0 110.971 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.414 HD13 HG12 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -106.67 109.7 21.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.765 179.723 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.05 140.01 53.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.068 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -108.61 120.96 43.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.766 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -128.55 127.31 42.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -107.04 123.32 48.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.01 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.0 t -121.58 135.65 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.971 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 70.1 -61.76 0.45 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -171.4 -41.59 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.813 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -65.92 -172.87 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.768 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.28 127.83 50.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -117.04 117.4 29.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -113.81 130.97 56.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.068 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.441 HD21 ' NZ ' ' A' ' 120' ' ' LYS . 1.8 mt -122.99 136.33 54.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.681 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.526 ' N ' HD12 ' A' ' 95' ' ' ILE . 3.9 mp -118.65 134.9 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.148 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.15 140.63 48.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.739 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.617 HG22 ' CE2' ' A' ' 80' ' ' PHE . 18.5 t -105.16 134.92 45.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.215 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.497 HD13 ' O ' ' A' ' 97' ' ' VAL . 28.1 mm -129.05 121.11 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.061 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -111.04 128.79 55.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.46 35.2 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.3 m -116.75 -178.18 3.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.82 79.81 1.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -153.83 -59.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.26 107.77 0.59 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.467 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.528 HG23 ' CE1' ' A' ' 127' ' ' PHE . 90.2 m -115.09 127.22 55.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 110.987 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -121.04 115.04 22.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.762 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.506 HG21 HD12 ' A' ' 112' ' ' LEU . 2.7 tp -116.01 137.23 50.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.468 0.651 . . . . 0.0 111.401 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.8 m120 61.58 27.04 16.61 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.69 11.83 73.47 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.881 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -134.08 151.95 51.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.834 0.35 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 -71.95 136.76 46.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.506 HD12 HG21 ' A' ' 107' ' ' ILE . 2.6 tt -78.21 130.7 36.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 114' ' ' LYS . 11.0 p -121.29 -44.99 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.486 ' N ' HG13 ' A' ' 113' ' ' VAL . 15.0 tttt -93.01 143.63 26.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.84 167.51 20.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.998 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.2 t70 60.69 64.44 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -83.92 138.79 32.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.476 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.1 tp -98.68 120.73 48.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.98 0.419 . . . . 0.0 111.278 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.892 HD11 HD11 ' A' ' 125' ' ' ILE . 9.0 tt -103.09 132.92 48.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.0 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.441 ' NZ ' HD21 ' A' ' 94' ' ' LEU . 6.4 mtpp -130.1 178.19 6.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.841 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.456 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 6.1 p30 -52.29 146.58 9.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 64.57 44.79 94.59 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.363 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.19 118.6 32.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 111.067 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.11 123.91 34.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.671 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.892 HD11 HD11 ' A' ' 119' ' ' LEU . 2.5 mp -114.87 131.35 67.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.286 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 25.9 t -119.7 132.48 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.528 ' CE1' HG23 ' A' ' 105' ' ' THR . 35.7 m-85 -128.79 139.26 52.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.051 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 86.84 -69.35 3.1 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.337 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 9.8 pttp 170.19 -33.41 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.728 0.299 . . . . 0.0 110.989 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.9 p -112.38 -39.17 4.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.456 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 23.9 m -54.79 104.25 0.11 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.899 0.38 . . . . 0.0 111.233 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 58.0 m -124.59 123.82 40.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.816 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -142.1 156.32 45.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.095 0.474 . . . . 0.0 111.305 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 5.7 tp -114.3 136.97 52.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.651 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.434 ' HE2' HG21 ' A' ' 50' ' ' ILE . 28.4 t80 -104.14 141.66 35.85 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.988 0.899 . . . . 0.0 111.907 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -154.3 157.57 38.86 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 113.81 -1.541 . . . . 0.0 110.709 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 121' ' ' ASN . 4.6 m-85 -84.77 139.95 31.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.015 0.436 . . . . 0.0 110.756 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -139.66 87.53 2.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.052 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.95 -55.04 3.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 77.8 p -78.51 -63.77 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.02 116.78 4.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.3 m -158.45 -58.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -142.81 154.79 44.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -97.95 -33.28 11.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.707 HG23 ' N ' ' A' ' 146' ' ' GLU . 0.4 OUTLIER -117.37 -151.03 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.433 -1.324 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.707 ' N ' HG23 ' A' ' 145' ' ' ILE . 8.5 tt0 -162.48 122.24 2.35 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -164.4 87.39 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -170.75 -57.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -108.31 108.39 19.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.984 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.75 158.74 20.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.45 -72.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 11.0 p -103.69 148.76 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.073 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.2 m -104.27 -68.78 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.37 -179.35 3.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.811 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.29 -31.65 10.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.67 176.91 4.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -121.81 102.21 8.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.99 118.34 7.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.1 t30 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.869 0.366 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 14.0 mt 64.2 136.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' TPO . . . . . 0.766 HG21 ' HA ' ' A' ' 61' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -86.87 148.2 45.09 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.17 -168.17 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.508 2.139 . . . . 0.0 112.324 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -142.54 151.11 41.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.3 104.07 3.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.812 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 4.8 m -70.98 122.51 20.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.2 p . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.85 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.793 0.33 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -85.31 -31.43 23.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.961 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.63 155.61 22.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.9 -46.45 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 ttt85 -73.68 -172.46 1.25 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.2 m 59.83 99.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -137.32 -45.72 0.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.025 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.517 ' CB ' ' HD3' ' A' ' 27' ' ' PRO . 1.5 mmtm -141.16 -59.95 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.424 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.517 ' HD3' ' CB ' ' A' ' 26' ' ' LYS . 35.5 Cg_exo -57.81 156.45 28.02 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.173 1.915 . . . . 0.0 112.278 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.62 163.54 27.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.954 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -77.19 -51.38 11.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -149.93 160.89 43.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -62.43 -106.76 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.713 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.484 ' N ' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.28 136.16 33.01 Favored 'General case' 0 C--N 1.334 -0.067 0 CA-C-O 120.802 0.334 . . . . 0.0 110.579 179.568 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.81 144.7 47.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.094 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.434 HD11 ' HG3' ' A' ' 84' ' ' GLN . 0.9 OUTLIER -147.5 -46.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.813 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.68 ' C ' HG22 ' A' ' 50' ' ' ILE . . . -149.66 -173.29 19.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.361 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.563 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 55.2 m80 -147.08 162.85 37.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.023 0.439 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.548 HD13 HG21 ' A' ' 66' ' ' VAL . 3.8 mt -127.01 110.53 13.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.634 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -96.37 121.84 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.327 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -90.14 115.54 27.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 40' ' ' LEU . 4.7 mp -95.0 106.85 18.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.799 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.4 mt -124.15 139.23 32.25 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.015 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.84 89.6 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.463 2.109 . . . . 0.0 112.247 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.2 51.92 1.82 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 175.02 -176.79 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.867 0.365 . . . . 0.0 110.839 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -175.95 136.43 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -139.65 127.85 22.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -113.0 127.69 56.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.2 t -120.15 151.03 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.216 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -101.57 134.47 44.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.68 HG22 ' C ' ' A' ' 35' ' ' GLY . 8.4 tt -116.07 132.04 66.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.306 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.484 HG22 ' N ' ' A' ' 32' ' ' THR . 0.2 OUTLIER -98.22 165.18 12.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.981 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -77.61 64.64 2.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.079 0.466 . . . . 0.0 110.298 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.551 ' C ' ' H ' ' A' ' 55' ' ' VAL . 11.7 ttt-85 -81.89 2.54 30.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.097 -179.469 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.428 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 4.0 m120 71.37 -38.0 0.41 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.551 ' H ' ' C ' ' A' ' 53' ' ' ARG . 74.9 t -137.27 137.22 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.775 179.265 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.77 HG23 ' CB ' ' A' ' 65' ' ' ASP . 86.9 m -125.23 130.05 51.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.146 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.83 140.73 37.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.932 0.396 . . . . 0.0 111.322 -179.618 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.904 HG22 HD11 ' A' ' 68' ' ' LEU . 4.5 mp -132.38 130.56 60.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.3 -121.18 0.97 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.14 -1.028 . . . . 0.0 113.372 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.459 ' HG3' HG22 ' A' ' 73' ' ' ILE . 1.4 ttt-85 -119.77 -43.9 2.55 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.736 0.303 . . . . 0.0 111.367 -179.191 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 t -41.88 150.29 0.12 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.549 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.99 -30.73 58.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.934 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.9 m -69.91 -20.68 63.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 34.6 m -57.92 158.39 6.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.789 0.328 . . . . 0.0 110.862 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.77 ' CB ' HG23 ' A' ' 56' ' ' THR . 0.8 OUTLIER -73.28 -57.84 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 111.195 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.548 HG21 HD13 ' A' ' 37' ' ' LEU . 25.4 t -124.32 133.05 70.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.841 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 16.6 pt -99.66 128.21 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.597 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.904 HD11 HG22 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -86.7 -79.47 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.187 -179.596 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 9.1 t -102.35 -104.15 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.51 ' CB ' ' CD ' ' A' ' 71' ' ' PRO . 0.0 OUTLIER 167.72 -68.44 0.0 OUTLIER Pre-proline 0 CA--C 1.531 0.222 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 179.441 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 70' ' ' GLU . 43.4 Cg_endo -67.62 -40.2 10.61 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.42 2.08 . . . . 0.0 113.81 -178.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -118.98 34.3 5.28 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.459 HG22 ' HG3' ' A' ' 60' ' ' ARG . 4.7 tp -110.99 126.21 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.955 0.407 . . . . 0.0 111.184 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 m -59.06 132.35 53.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.155 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.93 -31.51 72.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 77' ' ' HIS . 7.8 m-85 -111.99 13.81 20.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.318 0.58 . . . . 0.0 111.285 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 76' ' ' PHE . 3.8 t-80 -18.23 -70.77 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.451 -1.249 . . . . 0.0 113.224 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.629 ' HB3' ' CE2' ' A' ' 127' ' ' PHE . . . -155.26 164.12 39.22 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.112 0.482 . . . . 0.0 112.07 -179.241 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -131.83 137.6 48.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.384 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.528 ' CE1' HG13 ' A' ' 97' ' ' VAL . 44.6 m-85 -119.37 129.03 54.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.852 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.428 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 7.3 m-70 -94.98 116.05 28.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.857 0.36 . . . . 0.0 111.068 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 82' ' ' LEU . 11.7 tp -106.76 109.73 21.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.755 179.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.482 HD21 ' HG3' ' A' ' 85' ' ' MET . 6.2 tt -121.41 140.11 52.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.138 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.472 ' N ' HD23 ' A' ' 83' ' ' LEU . 2.8 tm0? -127.91 120.97 28.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.82 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.482 ' HG3' HD21 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -134.46 142.03 46.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.81 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -99.68 115.96 30.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.0 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.0 m -113.23 119.26 60.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 t70 77.16 -54.22 0.55 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.061 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -175.55 -39.53 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.825 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.74 ' HB3' HG22 ' A' ' 143' ' ' THR . 95.2 m-85 -79.98 158.29 26.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -101.18 131.92 46.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -111.39 128.31 55.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -113.58 129.14 56.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.593 HD22 HD11 ' A' ' 118' ' ' ILE . 8.0 mt -131.22 137.93 49.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.403 ' CD1' ' CE1' ' A' ' 135' ' ' PHE . 4.0 mp -120.39 139.46 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.071 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.95 134.57 55.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.528 HG13 ' CE1' ' A' ' 80' ' ' PHE . 20.7 t -99.95 122.73 52.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.24 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 9.2 mt -130.05 120.92 50.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.797 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -109.47 129.31 55.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.011 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.1 -9.29 59.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.328 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.7 m 66.92 98.63 0.05 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.806 0.336 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.19 -55.51 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -110.29 -38.96 5.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 124.27 107.87 1.77 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.512 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.9 m -107.06 126.28 52.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.36 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -112.18 126.59 55.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.499 ' CG2' HD13 ' A' ' 112' ' ' LEU . 2.9 tp -114.94 137.38 48.61 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-O 121.482 0.658 . . . . 0.0 111.298 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.7 m120 62.77 27.54 16.11 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.58 11.67 72.83 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.945 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -134.06 151.95 51.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.787 0.327 . . . . 0.0 110.844 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.26 130.07 40.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.853 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.499 HD13 ' CG2' ' A' ' 107' ' ' ILE . 6.0 tp -100.05 142.06 32.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.62 ' O ' HG22 ' A' ' 113' ' ' VAL . 14.5 p -128.38 30.96 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.01 176.77 4.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -119.03 -40.79 2.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.11 69.48 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.952 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.454 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 10.7 t80 -84.17 139.34 32.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.79 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.593 HD11 HD22 ' A' ' 94' ' ' LEU . 8.8 tp -98.43 121.62 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.187 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.723 HD11 HD11 ' A' ' 125' ' ' ILE . 9.5 tt -102.96 138.64 39.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.002 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -122.82 171.13 9.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.425 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 5.9 p-10 -58.12 138.26 56.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.413 ' HA2' HD21 ' A' ' 134' ' ' LEU . . . 77.51 49.56 7.2 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.495 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.27 127.94 47.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.757 0.313 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.486 ' CG ' HD12 ' A' ' 134' ' ' LEU . 13.5 mtt-85 -89.26 122.6 32.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.803 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.723 HD11 HD11 ' A' ' 119' ' ' LEU . 1.8 mp -123.12 129.6 74.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.8 t -111.65 134.06 55.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.039 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.653 ' HB2' HD22 ' A' ' 68' ' ' LEU . 5.2 m-85 -116.37 137.25 52.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.011 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.68 -64.9 2.55 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.463 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 170.44 -35.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.34 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 18.2 p -106.81 -38.09 6.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.305 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 22.7 m -57.82 105.85 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.906 0.384 . . . . 0.0 111.06 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 72.4 p -124.47 120.8 33.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.192 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.426 ' N ' ' CD1' ' A' ' 133' ' ' PHE . 1.8 p90 -142.03 152.64 43.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.778 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.486 HD12 ' CG ' ' A' ' 124' ' ' ARG . 5.5 tt -114.48 139.96 49.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.005 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.403 ' CE1' ' CD1' ' A' ' 95' ' ' ILE . 21.8 t80 -106.87 141.71 37.66 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 121.883 0.849 . . . . 0.0 111.539 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -154.52 155.6 35.13 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 114.047 -1.433 . . . . 0.0 110.954 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.425 ' CE2' ' HB3' ' A' ' 121' ' ' ASN . 1.2 m-85 -79.11 139.9 37.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.923 0.392 . . . . 0.0 110.578 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.563 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . . . -89.44 80.48 6.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.002 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.5 p -160.0 -178.52 7.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.838 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -176.7 128.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.32 34.26 22.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.2 m -105.32 -42.73 5.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.74 HG22 ' HB3' ' A' ' 90' ' ' PHE . 41.7 p -121.29 159.92 25.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.06 87.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.586 HG22 ' H ' ' A' ' 146' ' ' GLU . 2.4 mt -110.64 -143.3 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.436 -1.134 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.586 ' H ' HG22 ' A' ' 145' ' ' ILE . 6.2 mt-10 -159.36 76.98 0.7 Allowed 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -147.66 100.06 3.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.27 86.07 3.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.58 78.61 9.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.551 ' HG3' HG23 ' A' ' 152' ' ' VAL . 5.6 tp10 -127.84 -67.5 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 10.8 mttp 61.5 30.52 18.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.814 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.551 HG23 ' HG3' ' A' ' 150' ' ' GLU . 26.8 t -112.34 -43.05 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.048 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.7 t -122.59 50.46 1.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 53.5 p -108.23 -41.76 4.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -172.71 160.14 4.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 37.6 m -93.99 122.94 37.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.02 32.97 3.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.38 -48.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 38.6 p90 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.911 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 t30 . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 120.832 0.348 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 4.2 mt -71.02 89.17 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.14 145.47 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.109 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.03 -167.63 0.49 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.618 2.212 . . . . 0.0 112.163 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -114.49 155.97 25.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.944 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.9 169.02 18.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -86.35 164.79 16.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.811 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 43.5 p . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.859 -179.927 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.805 0.336 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.2 mtt85 -150.5 -179.24 7.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.49 -51.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -104.54 166.77 10.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.7 mtt85 -139.47 177.67 7.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.2 t 60.38 110.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -107.63 97.32 7.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.971 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.22 93.93 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.991 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -68.9 150.82 73.74 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.456 2.104 . . . . 0.0 112.261 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 55.4 p -165.11 -167.2 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m 63.28 103.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.948 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -69.8 175.27 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.403 ' HB2' ' CG2' ' A' ' 51' ' ' THR . 39.3 m-85 -106.4 -112.62 0.27 Allowed 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.936 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.24 128.9 23.0 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.836 0.35 . . . . 0.0 110.64 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.41 145.03 49.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.008 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.14 -46.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.475 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -139.03 166.73 25.35 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.084 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.416 ' CE1' ' CB ' ' A' ' 138' ' ' ALA . 28.3 m80 -134.27 160.27 38.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.895 0.379 . . . . 0.0 111.097 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.686 HD12 HD11 ' A' ' 50' ' ' ILE . 16.5 mt -124.72 115.03 20.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.782 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.2 t -96.01 121.89 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.143 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.595 ' HB3' HD11 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -90.14 116.69 28.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.776 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mp -99.01 106.95 19.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.595 HD11 ' HB3' ' A' ' 39' ' ' ASN . 3.8 mp -124.19 141.28 36.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.831 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.549 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 56.7 Cg_endo -73.26 87.79 1.03 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.169 1.913 . . . . 0.0 111.984 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.29 19.9 4.93 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.46 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 ttpp 179.96 166.43 1.24 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.812 0.339 . . . . 0.0 110.697 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.05 145.32 25.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.953 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -137.54 139.97 40.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -113.06 125.85 54.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.454 HG11 HG13 ' A' ' 66' ' ' VAL . 38.7 t -122.73 149.03 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.175 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -107.96 142.08 38.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.686 HD11 HD12 ' A' ' 37' ' ' LEU . 23.9 mm -116.1 131.49 68.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.376 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.403 ' CG2' ' HB2' ' A' ' 31' ' ' TYR . 0.6 OUTLIER -106.47 168.23 9.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.901 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.428 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 0.4 OUTLIER -91.24 66.9 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.094 0.473 . . . . 0.0 110.429 179.465 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.57 ' C ' ' H ' ' A' ' 55' ' ' VAL . 20.1 ttt180 -88.07 10.05 20.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.896 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.401 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 0.5 OUTLIER 71.47 -39.34 0.45 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -178.584 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.57 ' H ' ' C ' ' A' ' 53' ' ' ARG . 94.5 t -137.56 137.26 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.254 178.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.768 HG23 ' CB ' ' A' ' 65' ' ' ASP . 60.6 m -125.31 129.18 49.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.333 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.94 137.93 41.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.96 0.41 . . . . 0.0 111.065 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.44 ' CD1' ' CE1' ' A' ' 80' ' ' PHE . 8.2 mt -128.56 118.3 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.29 -141.19 5.61 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.544 -0.836 . . . . 0.0 113.047 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.614 ' NE ' HG22 ' B' ' 5' ' ' TPO . 0.1 OUTLIER -101.25 -30.79 11.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.776 0.322 . . . . 0.0 111.038 -179.631 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.624 ' CB ' HG23 ' A' ' 75' ' ' THR . 0.3 OUTLIER -46.34 157.85 0.12 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.411 -179.647 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.453 ' HB2' ' P ' ' B' ' 5' ' ' TPO . 11.2 ttm180 -85.45 -35.21 21.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.711 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.07 -21.46 63.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 67.0 m -52.55 155.94 2.01 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.768 ' CB ' HG23 ' A' ' 56' ' ' THR . 1.4 m-20 -73.06 -59.02 2.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.39 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.454 HG13 HG11 ' A' ' 48' ' ' VAL . 26.3 t -110.97 131.91 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.141 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.1 pp -97.35 104.92 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.854 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.486 HD23 HD11 ' A' ' 73' ' ' ILE . 2.2 tp -73.74 -152.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.118 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.557 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 16.3 t -35.91 -88.95 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 117.463 0.12 . . . . 0.0 111.1 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.557 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.5 OUTLIER 143.37 -67.17 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.661 0 C-N-CA 123.162 0.585 . . . . 0.0 111.129 179.048 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 70' ' ' GLU . 40.9 Cg_endo -67.28 -13.86 40.91 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.509 2.139 . . . . 0.0 113.415 -179.188 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -139.71 26.03 2.33 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.756 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.486 HD11 HD23 ' A' ' 68' ' ' LEU . 6.3 tp -106.67 144.66 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.009 0.433 . . . . 0.0 111.423 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 77' ' ' HIS . 63.3 m -87.46 130.87 34.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.234 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.624 HG23 ' CB ' ' A' ' 61' ' ' SER . 17.0 m -55.66 -34.89 65.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.139 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -112.12 14.16 20.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.19 0.519 . . . . 0.0 111.582 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 74' ' ' SER . 6.7 t60 -28.4 -68.74 0.06 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.865 -1.061 . . . . 0.0 112.759 -179.112 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -149.9 164.08 36.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.158 0.504 . . . . 0.0 112.115 -179.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.9 137.43 41.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.436 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.491 ' HZ ' HD13 ' A' ' 125' ' ' ILE . 7.0 m-85 -119.45 131.23 55.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.012 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.401 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 17.1 m80 -94.86 116.82 29.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.87 0.367 . . . . 0.0 111.16 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.635 HD11 HG21 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -106.29 109.41 21.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.795 179.744 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.32 140.11 53.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -99.65 131.44 45.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.03 118.74 37.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -84.28 122.75 29.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.076 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.0 t -140.03 139.38 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.947 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -44.73 -66.33 0.41 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.519 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -49.9 -79.93 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.28 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -139.07 148.06 42.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.74 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -82.8 128.04 34.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.002 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 -117.05 139.44 50.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -114.02 131.65 56.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.8 mp -105.95 141.93 36.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.67 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.597 HD12 ' HG ' ' A' ' 82' ' ' LEU . 12.0 mm -116.73 138.65 46.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.219 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.41 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 0.8 OUTLIER -115.09 144.13 44.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.567 179.804 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.471 HG13 ' CZ ' ' A' ' 80' ' ' PHE . 14.5 t -115.52 135.02 56.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.268 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 27.0 mt -124.15 137.27 57.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.531 ' HB2' HD13 ' A' ' 112' ' ' LEU . 9.5 t0 -107.89 114.93 29.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.021 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -143.28 51.25 1.38 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.799 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.65 172.83 8.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.996 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -110.53 -30.96 7.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.749 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -65.65 -74.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.216 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 170.86 142.21 3.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.769 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.434 HG23 ' CD1' ' A' ' 127' ' ' PHE . 82.9 m -131.99 122.85 26.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.732 0.301 . . . . 0.0 110.652 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -121.07 121.23 37.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.006 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.767 HD13 HD12 ' A' ' 125' ' ' ILE . 3.1 tp -117.67 137.25 52.2 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 CA-C-O 121.502 0.668 . . . . 0.0 111.231 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.8 m120 60.28 31.0 20.3 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.738 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.61 13.1 74.46 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.823 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -134.11 152.01 51.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 110.795 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 -70.42 142.78 51.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.531 HD13 ' HB2' ' A' ' 99' ' ' ASP . 9.5 tt -77.46 121.91 24.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 30.7 m -138.64 30.88 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.072 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.05 149.72 33.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.42 141.85 28.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 25.4 t70 62.63 70.73 0.55 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -84.08 139.1 32.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.79 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.537 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.6 tp -98.69 118.14 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.042 0.449 . . . . 0.0 111.313 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.44 HD21 ' HB3' ' A' ' 135' ' ' PHE . 9.5 tt -103.09 144.19 31.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.962 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -136.13 178.04 7.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.72 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.417 ' HB3' ' CD2' ' A' ' 137' ' ' TYR . 8.4 p-10 -58.93 140.51 55.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.416 ' HA2' HD21 ' A' ' 134' ' ' LEU . . . 74.97 42.51 29.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.507 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.498 ' C ' HD12 ' A' ' 134' ' ' LEU . 4.1 m-20 -121.66 118.53 29.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.361 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.634 ' N ' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -90.31 119.41 30.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.779 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.767 HD12 HD13 ' A' ' 107' ' ' ILE . 3.6 tt -118.05 137.53 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.234 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.489 HG22 ' OG ' ' A' ' 132' ' ' SER . 25.3 t -116.56 132.33 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.931 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.434 ' CD1' HG23 ' A' ' 105' ' ' THR . 18.9 m-85 -122.22 134.59 54.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 83.65 -68.07 3.61 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.371 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 171.2 -33.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.618 0.247 . . . . 0.0 110.969 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 95.8 p -110.42 -41.23 4.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.372 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 38.3 m -56.37 102.02 0.07 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.106 0.479 . . . . 0.0 111.288 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.489 ' OG ' HG22 ' A' ' 126' ' ' VAL . 2.7 t -124.87 119.89 30.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.141 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.516 ' HD1' HD22 ' A' ' 37' ' ' LEU . 27.5 p90 -142.05 156.15 45.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.873 0.368 . . . . 0.0 111.203 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 124' ' ' ARG . 1.5 tp -113.35 140.01 48.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.808 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.471 ' HB2' HD21 ' A' ' 37' ' ' LEU . 26.0 t80 -105.14 141.47 36.64 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.947 0.88 . . . . 0.0 111.816 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -154.69 155.96 35.55 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 113.869 -1.514 . . . . 0.0 110.893 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.417 ' CD2' ' HB3' ' A' ' 121' ' ' ASN . 5.5 m-85 -86.01 139.56 31.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.743 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.416 ' CB ' ' CE1' ' A' ' 36' ' ' HIS . . . -113.47 132.52 55.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 41.9 p -142.51 -48.17 0.34 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.97 40.8 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 17.7 m 61.05 175.51 0.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.943 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 22.2 p -105.05 -43.27 5.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.58 -179.04 1.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.76 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -135.4 84.21 2.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.971 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.6 HG22 ' H ' ' A' ' 146' ' ' GLU . 0.8 OUTLIER -111.21 -143.33 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.437 -1.108 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.6 ' H ' HG22 ' A' ' 145' ' ' ILE . 8.9 mm-40 -114.14 -175.61 2.72 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 61.69 177.45 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -134.6 94.41 3.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -128.38 165.19 21.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -124.3 36.26 4.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.68 95.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.84 105.92 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.03 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 27.1 t -85.39 100.03 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 14.4 p -152.15 167.24 29.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -150.39 -47.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 1.4 m -122.55 163.85 19.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 10.1 tpt85 -115.07 31.58 6.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.4 m -163.19 31.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 35.4 t80 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.941 179.935 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.794 0.331 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 pt -93.16 -179.04 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' TPO . . . . . 0.614 HG22 ' NE ' ' A' ' 60' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -65.44 155.38 85.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.2 -171.68 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.603 2.202 . . . . 0.0 112.238 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' TPO . . . . . 0.417 HG23 ' N ' ' B' ' 9' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.417 ' N ' HG23 ' B' ' 8' ' ' TPO . 1.3 tt0 -128.68 145.77 51.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.794 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -69.13 146.91 52.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.88 162.93 28.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.93 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.903 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.864 0.364 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -99.91 126.42 46.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.82 -40.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -76.15 168.66 19.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -109.01 -25.73 10.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.5 m 65.63 43.77 3.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.826 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m120 61.06 -177.29 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -159.26 104.44 1.53 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.86 159.1 18.6 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.464 2.109 . . . . 0.0 112.186 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m 63.19 104.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.0 t -107.18 -23.39 12.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.205 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 63.66 90.16 0.08 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.918 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.48 -102.8 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.504 ' N ' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.42 128.92 22.74 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.72 0.295 . . . . 0.0 110.627 179.747 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.2 132.2 53.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.072 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.62 -47.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.624 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.625 ' C ' HG22 ' A' ' 50' ' ' ILE . . . -140.37 -172.14 12.75 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.175 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.667 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 46.6 m80 -145.82 164.38 32.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.956 0.408 . . . . 0.0 111.051 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.405 HD11 HD12 ' A' ' 50' ' ' ILE . 1.2 mp -127.24 127.49 44.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.758 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.578 HG22 ' CD ' ' A' ' 47' ' ' LYS . 21.8 t -110.51 121.98 64.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -88.21 113.95 24.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.836 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mp -93.29 106.79 18.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.539 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 3.6 mp -124.18 141.01 36.15 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.539 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 46.5 Cg_endo -71.74 77.36 1.84 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.122 1.881 . . . . 0.0 111.803 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.54 31.07 1.09 Allowed Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.247 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 175.29 -170.25 0.05 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.808 0.337 . . . . 0.0 110.716 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -178.43 151.17 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -146.43 130.22 17.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.578 ' CD ' HG22 ' A' ' 38' ' ' VAL . 0.4 OUTLIER -113.12 126.41 55.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.976 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 42.9 t -125.11 148.53 29.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.161 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -94.24 137.89 32.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.759 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.625 HG22 ' C ' ' A' ' 35' ' ' GLY . 13.0 tt -116.14 132.13 66.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.052 0.453 . . . . 0.0 111.442 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.504 HG22 ' N ' ' A' ' 32' ' ' THR . 0.2 OUTLIER -100.89 168.13 9.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.93 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -77.03 63.13 2.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.023 0.44 . . . . 0.0 110.29 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.543 ' C ' ' H ' ' A' ' 55' ' ' VAL . 4.4 ttt85 -81.55 0.88 36.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.051 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.479 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 0.9 OUTLIER 71.72 -36.46 0.36 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -178.761 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.543 ' H ' ' C ' ' A' ' 53' ' ' ARG . 73.8 t -137.45 138.78 44.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.746 179.391 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.441 HG22 ' CB ' ' A' ' 65' ' ' ASP . 0.7 OUTLIER -125.31 128.32 48.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.5 179.828 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.88 137.45 41.85 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.822 0.344 . . . . 0.0 111.126 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.477 HD11 ' HD2' ' A' ' 80' ' ' PHE . 4.6 mp -131.66 124.43 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.181 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.16 -135.14 3.26 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.416 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.533 ' HB3' HG21 ' B' ' 5' ' ' TPO . 9.4 ttt-85 -108.54 -26.35 10.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.826 0.346 . . . . 0.0 111.026 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.24 139.15 43.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -70.19 -30.0 67.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.8 m -69.97 -25.73 63.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 90.4 m -55.78 162.69 1.66 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.441 ' CB ' HG22 ' A' ' 56' ' ' THR . 0.6 OUTLIER -71.06 -57.06 4.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.967 0.413 . . . . 0.0 110.847 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.14 116.31 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.973 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 10.5 pt -93.77 128.08 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.178 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.422 HD13 HD13 ' A' ' 73' ' ' ILE . 1.1 mt -90.68 164.71 14.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.751 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.3 m -103.25 31.37 4.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.59 133.89 30.28 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.547 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.24 -13.72 41.12 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.417 2.078 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -134.74 38.3 3.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 111.091 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.496 HG23 ' HB2' ' A' ' 60' ' ' ARG . 8.3 tp -81.62 121.07 34.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.983 0.42 . . . . 0.0 111.205 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.0 t -56.33 134.41 53.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.365 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.0 m -61.8 -44.03 97.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.797 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.458 ' O ' ' C ' ' A' ' 77' ' ' HIS . 11.9 m-85 -102.8 13.83 33.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.208 0.528 . . . . 0.0 111.385 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -18.67 -70.15 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.603 -1.18 . . . . 0.0 112.916 -179.329 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -145.32 162.82 36.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.13 0.49 . . . . 0.0 111.843 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -134.48 133.97 40.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.446 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.614 ' CE1' HG13 ' A' ' 97' ' ' VAL . 54.7 m-85 -119.37 128.0 53.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.849 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.479 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 19.2 m80 -94.95 116.48 28.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.812 0.339 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.43 HD22 HG12 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -106.4 109.44 21.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.797 179.714 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.46 140.15 53.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.072 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -103.36 120.88 41.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.1 mtt -131.44 127.68 37.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -107.07 136.9 46.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.57 HG12 ' OD1' ' A' ' 88' ' ' ASP . 21.5 t -138.56 139.03 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.028 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.57 ' OD1' HG12 ' A' ' 87' ' ' VAL . 4.1 m-20 71.14 -60.62 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.083 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -171.82 -41.32 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.834 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -74.8 -177.12 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.651 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -129.7 128.0 41.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.034 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -114.76 143.48 45.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -114.04 120.77 41.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.06 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.5 mt -106.29 136.0 46.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.652 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.407 ' N ' HD12 ' A' ' 95' ' ' ILE . 3.1 mp -123.28 141.08 44.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.887 0.375 . . . . 0.0 111.259 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -117.68 142.81 46.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.775 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.614 HG13 ' CE1' ' A' ' 80' ' ' PHE . 11.5 t -110.13 133.41 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.0 mt -128.14 126.94 67.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.016 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.401 ' HB3' HD13 ' A' ' 112' ' ' LEU . 11.9 p-10 -84.95 118.84 24.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -144.71 37.78 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.9 179.87 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -109.96 -31.14 7.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.967 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -92.32 -48.77 6.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.09 146.42 4.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.593 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.485 HG23 ' HA ' ' A' ' 127' ' ' PHE . 67.6 m -132.02 133.15 44.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.888 0.375 . . . . 0.0 110.805 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -109.41 130.69 55.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.2 tp -119.58 137.34 53.78 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 CA-C-O 121.447 0.641 . . . . 0.0 111.349 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.7 m120 61.13 28.81 18.44 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.8 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.65 12.71 74.24 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.743 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -134.12 152.02 51.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.803 0.335 . . . . 0.0 110.805 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -65.22 142.96 58.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.401 HD13 ' HB3' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -73.52 130.76 40.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 28.8 m -117.39 -39.96 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.049 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -101.23 154.33 18.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.49 -29.58 22.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -104.21 70.36 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.042 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.426 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 4.7 t80 -84.04 139.09 32.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.755 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.538 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.6 tp -98.6 118.65 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-O 121.005 0.431 . . . . 0.0 111.382 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.557 HD11 HD11 ' A' ' 125' ' ' ILE . 8.4 tt -103.01 139.46 38.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -126.64 178.07 6.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.859 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.422 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 6.8 p-10 -58.0 137.66 56.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.947 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 76.14 39.81 31.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -104.8 137.26 42.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.349 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -106.23 118.89 37.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.557 HD11 HD11 ' A' ' 119' ' ' LEU . 1.5 mp -114.98 135.36 55.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 39.6 t -121.07 123.9 71.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.268 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.485 ' HA ' HG23 ' A' ' 105' ' ' THR . 5.5 m-85 -109.76 147.84 32.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.037 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.02 -64.66 0.71 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.52 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? 171.99 -42.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.814 0.34 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 59.5 p -105.92 -33.49 7.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 22.8 m -58.2 108.53 0.62 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 63.9 p -124.02 141.3 52.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -141.98 156.04 45.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 7.7 tt -126.1 115.07 19.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.737 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.552 ' HE1' HG21 ' A' ' 50' ' ' ILE . 88.7 t80 -92.08 141.78 28.23 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.946 0.879 . . . . 0.0 111.788 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.17 154.76 34.1 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 113.91 -1.495 . . . . 0.0 110.741 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.506 ' N ' ' CD1' ' A' ' 137' ' ' TYR . 0.5 OUTLIER -86.0 139.61 31.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.697 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.667 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . . . -91.55 -30.23 16.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.081 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 72.6 m -66.26 -31.32 72.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.12 118.7 36.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.3 m -129.21 -54.94 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 5.9 m -82.86 -174.81 5.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.403 HG23 ' N ' ' A' ' 144' ' ' ASP . 9.0 t -169.1 -45.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ASP . . . . . 0.403 ' N ' HG23 ' A' ' 143' ' ' THR . 4.8 t0 -177.96 -36.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.154 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.58 ' O ' HG22 ' A' ' 145' ' ' ILE . 17.0 mm -98.54 25.27 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.28 0 CA-C-O 121.622 0.725 . . . . 0.0 111.556 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.48 109.01 7.62 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.925 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -88.47 75.13 8.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -175.09 133.85 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -147.63 146.17 29.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -163.58 124.26 2.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.73 96.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 21.6 t -91.89 -62.57 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 4.7 p -124.79 134.09 52.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.2 t -105.23 -43.43 5.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -137.79 -176.17 4.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 10.7 m -86.36 177.65 7.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.18 84.66 1.88 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 29.0 t -168.01 173.74 7.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.0 m120 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.84 0.352 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -164.14 128.06 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.097 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' TPO . . . . . 0.628 ' O3P' HG22 ' B' ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.55 155.71 47.8 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -68.76 -175.85 1.04 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.561 2.174 . . . . 0.0 112.247 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -101.16 162.79 12.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -82.76 129.7 35.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 19.9 m -78.66 169.4 18.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 21.8 p . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.85 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.2 tptp . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.787 0.327 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -104.67 158.56 16.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -101.71 115.15 29.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -107.53 172.67 6.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -114.4 92.5 3.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.785 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.8 p -149.88 -54.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -127.1 138.52 53.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.94 146.49 31.44 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.77 144.07 52.82 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.507 2.138 . . . . 0.0 112.272 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -166.14 -43.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.055 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.1 p -150.45 96.29 2.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -128.22 90.55 3.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.665 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -115.09 -123.28 0.29 Allowed 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.632 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.583 ' C ' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.33 129.77 24.02 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.713 0.292 . . . . 0.0 110.268 179.775 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.46 142.68 48.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.958 0.408 . . . . 0.0 111.333 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.518 HD21 ' OE1' ' A' ' 91' ' ' GLN . 0.4 OUTLIER -151.71 -47.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.476 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -128.64 155.33 20.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.132 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.489 ' ND1' ' HB3' ' A' ' 138' ' ' ALA . 18.5 m80 -120.54 161.98 20.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.947 0.403 . . . . 0.0 111.163 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 1.041 HD12 HD11 ' A' ' 50' ' ' ILE . 12.1 mt -127.04 124.12 38.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.625 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.6 t -101.49 121.71 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.085 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.436 ' HA ' ' CD2' ' A' ' 133' ' ' PHE . 0.0 OUTLIER -90.31 128.55 36.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.632 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 mt -107.92 106.63 16.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.627 HG23 ' HD2' ' A' ' 42' ' ' PRO . 37.9 mm -124.46 141.81 38.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.627 ' HD2' HG23 ' A' ' 41' ' ' ILE . 60.5 Cg_endo -75.99 72.39 5.26 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.223 1.948 . . . . 0.0 111.978 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 161.76 -26.78 0.26 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.413 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -178.68 122.26 0.09 Allowed 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -79.61 -174.03 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.02 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.18 141.01 3.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.817 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.04 122.96 49.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.4 t -117.96 150.96 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -105.18 131.97 51.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.041 HD11 HD12 ' A' ' 37' ' ' LEU . 36.6 mm -106.37 127.11 61.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.1 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.583 HG22 ' C ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -98.72 167.17 10.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.097 -179.855 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.456 ' ND2' ' H ' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -83.41 62.45 6.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.518 179.297 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.557 ' C ' ' H ' ' A' ' 55' ' ' VAL . 9.3 mtt180 -85.18 5.89 28.13 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.913 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.442 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 2.3 t-20 71.59 -36.98 0.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -178.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.557 ' H ' ' C ' ' A' ' 53' ' ' ARG . 67.5 t -137.48 135.66 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.85 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.718 HG23 ' CB ' ' A' ' 65' ' ' ASP . 88.4 m -125.22 130.19 51.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.963 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.9 137.71 41.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.923 0.392 . . . . 0.0 111.148 -179.679 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.774 HG22 HD11 ' A' ' 68' ' ' LEU . 4.8 mp -125.86 125.59 68.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.52 -132.04 2.47 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.431 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.411 ' CG ' HG22 ' B' ' 5' ' ' TPO . 0.0 OUTLIER -117.85 -26.28 6.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.666 0.269 . . . . 0.0 111.267 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.472 ' HB2' HG23 ' A' ' 75' ' ' THR . 0.1 OUTLIER -46.85 145.17 2.09 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.947 0.403 . . . . 0.0 111.238 -179.856 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -26.34 62.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.158 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.3 p -81.26 -26.89 35.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.231 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.1 m -53.26 160.61 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.074 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.718 ' CB ' HG23 ' A' ' 56' ' ' THR . 4.3 m-20 -72.62 -58.34 3.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.935 0.397 . . . . 0.0 110.836 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -104.89 132.98 50.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.077 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.2 pt -108.73 106.18 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.188 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.841 HD22 ' CD1' ' A' ' 73' ' ' ILE . 5.1 mp -65.44 -177.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.15 39.18 4.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.199 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.404 ' HB2' ' HB ' ' A' ' 73' ' ' ILE . 0.8 OUTLIER -111.91 132.03 22.17 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.749 179.817 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.08 -14.29 42.91 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.453 2.102 . . . . 0.0 112.634 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -127.24 33.43 4.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 110.995 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.841 ' CD1' HD22 ' A' ' 68' ' ' LEU . 5.7 tp -82.38 140.17 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.4 m -67.84 131.49 45.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.099 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.472 HG23 ' HB2' ' A' ' 61' ' ' SER . 82.6 m -63.11 -44.03 96.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.469 ' O ' ' C ' ' A' ' 77' ' ' HIS . 5.5 m-85 -101.46 13.92 33.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.282 0.563 . . . . 0.0 111.368 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.469 ' C ' ' O ' ' A' ' 76' ' ' PHE . 2.7 t60 -15.81 -67.99 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.631 -1.168 . . . . 0.0 112.894 -179.525 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.407 ' HB3' ' HE2' ' A' ' 127' ' ' PHE . . . -152.85 164.04 38.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.091 0.472 . . . . 0.0 111.831 -179.488 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -132.71 136.87 46.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.285 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 56' ' ' THR . 6.1 m-85 -119.31 130.99 55.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.022 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.442 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 10.0 m-70 -96.23 116.32 28.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.888 0.375 . . . . 0.0 111.226 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.552 HD13 ' CG2' ' A' ' 50' ' ' ILE . 0.3 OUTLIER -106.48 109.42 21.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.714 179.448 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.3 tp -122.18 140.09 52.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.165 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -102.01 134.87 44.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.807 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.4 ttt -128.64 138.64 52.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.032 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -107.09 128.42 54.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -140.0 126.79 23.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.094 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.8 t0 73.58 -58.87 0.58 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.072 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -168.8 -42.58 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.832 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -79.21 179.88 7.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.676 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.518 ' OE1' HD21 ' A' ' 34' ' ' LEU . 3.0 pt20 -130.59 128.0 40.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.075 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -109.79 138.5 46.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.638 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -114.05 127.27 55.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.198 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.721 HD12 HD11 ' A' ' 118' ' ' ILE . 2.4 mm? -109.58 141.64 41.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.512 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.47 HD11 ' CE1' ' A' ' 135' ' ' PHE . 4.4 mp -113.19 141.02 30.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.287 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.86 144.08 44.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.71 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.407 HG12 HD11 ' A' ' 112' ' ' LEU . 16.4 t -109.71 125.88 66.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.233 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 34.1 mt -130.11 144.39 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.012 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -117.34 138.99 51.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.962 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.3 pttt -161.19 53.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -152.76 -176.44 5.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.35 -30.22 13.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.23 -36.72 73.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.253 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 87.05 150.88 19.19 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.373 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.433 ' HB ' HD12 ' A' ' 112' ' ' LEU . 4.4 m -131.93 125.84 32.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 110.82 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -110.93 117.2 32.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.482 HD13 HG13 ' A' ' 125' ' ' ILE . 3.2 tp -111.58 137.16 45.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.444 0.64 . . . . 0.0 111.228 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.5 m120 58.53 31.69 21.3 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.787 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.61 13.04 74.42 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.825 -0.702 . . . . 0.0 113.028 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -128.3 147.74 50.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.777 0.322 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -74.92 143.03 43.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.989 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.499 ' O ' HG13 ' A' ' 113' ' ' VAL . 18.9 mt -74.61 135.42 42.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 112' ' ' LEU . 12.3 m -158.11 -46.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.438 ' N ' HG23 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -60.57 -20.09 59.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.22 152.45 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.792 0.33 . . . . 0.0 110.832 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.7 t70 60.66 51.64 4.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.77 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.63 139.18 45.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.721 HD11 HD12 ' A' ' 94' ' ' LEU . 8.0 tp -98.5 120.48 47.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.907 HD11 HD11 ' A' ' 125' ' ' ILE . 6.2 tt -103.01 130.24 50.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.096 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.73 178.1 4.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.623 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.44 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 3.3 p-10 -57.03 145.05 31.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.405 ' HA2' HD21 ' A' ' 134' ' ' LEU . . . 68.19 36.5 85.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.397 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.54 135.35 49.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.767 0.317 . . . . 0.0 110.807 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -107.08 128.14 54.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.907 HD11 HD11 ' A' ' 119' ' ' LEU . 2.1 mp -118.86 134.43 62.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.056 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 29.7 t -110.49 124.37 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.17 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.441 ' HB3' ' CE1' ' A' ' 77' ' ' HIS . 48.7 m-85 -109.3 114.37 28.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 96.83 -71.08 0.78 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.593 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.05 -36.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.701 0.286 . . . . 0.0 111.057 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.01 -36.67 5.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.58 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 8.6 m -62.6 108.82 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.888 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 40.0 t -121.58 137.76 54.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.606 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.47 ' N ' ' CD1' ' A' ' 133' ' ' PHE . 1.5 m-85 -135.64 156.0 49.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.975 0.416 . . . . 0.0 111.241 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.579 HD23 ' N ' ' A' ' 135' ' ' PHE . 1.3 tt -121.31 140.05 52.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.641 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.579 ' N ' HD23 ' A' ' 134' ' ' LEU . 34.3 t80 -116.49 141.5 48.09 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 122.016 0.912 . . . . 0.0 111.925 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -154.57 148.41 25.55 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 113.761 -1.563 . . . . 0.0 110.831 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 121' ' ' ASN . 7.7 m-85 -76.46 139.8 40.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.022 0.439 . . . . 0.0 110.817 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.489 ' HB3' ' ND1' ' A' ' 36' ' ' HIS . . . -134.14 30.37 3.62 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.973 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.0 p -96.08 154.24 17.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 18.6 m 61.29 152.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 70.1 m 59.06 30.76 20.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.2 m -152.33 96.66 2.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 33.4 p -126.61 33.7 4.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -133.63 104.8 6.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.586 ' O ' HG22 ' A' ' 145' ' ' ILE . 3.1 mp -102.55 25.09 1.36 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 CA-C-O 121.644 0.735 . . . . 0.0 111.271 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -151.05 159.25 44.65 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.41 31.1 3.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.829 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.94 117.02 33.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.68 151.86 23.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -161.8 139.55 8.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -142.36 93.84 2.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.816 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.558 ' O ' HG23 ' A' ' 152' ' ' VAL . 16.4 m -147.78 90.17 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.2 p -111.19 -35.26 5.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.6 89.65 3.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.794 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.84 141.69 28.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.24 178.15 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -110.51 162.27 14.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 52.6 p -113.61 34.11 4.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.979 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.917 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.722 0.296 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 19.7 mt -103.27 139.05 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.079 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' TPO . . . . . 0.424 ' P ' ' H ' ' B' ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -64.51 166.01 12.79 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.57 -167.85 0.32 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.578 2.185 . . . . 0.0 112.305 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' TPO . . . . . 0.401 HG23 ' N ' ' B' ' 9' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.401 ' N ' HG23 ' B' ' 8' ' ' TPO . 0.6 OUTLIER -145.43 171.29 14.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -79.17 169.13 18.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 50.3 m -93.62 158.6 15.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.5 p . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.916 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.744 0.307 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.14 172.11 7.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.992 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -164.94 -47.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -98.71 31.39 2.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.2 mtt-85 -137.58 179.67 6.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.93 28.73 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.0 t30 59.16 109.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -65.5 131.25 94.83 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.78 158.93 18.84 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.443 2.096 . . . . 0.0 112.261 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 t -146.18 31.11 1.02 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -170.93 85.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.7 179.89 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.957 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -101.11 -117.21 0.17 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.563 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.581 ' O ' HG22 ' A' ' 51' ' ' THR . 1.0 OUTLIER -140.26 141.15 35.85 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.772 0.32 . . . . 0.0 110.512 179.587 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.866 ' O ' HD22 ' A' ' 34' ' ' LEU . 54.1 t -60.09 145.12 47.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.407 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.866 HD22 ' O ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -146.93 -46.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.494 179.733 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -157.65 174.69 35.06 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.14 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.412 ' CD2' ' O ' ' A' ' 48' ' ' VAL . 27.3 m80 -139.35 165.28 27.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.989 0.424 . . . . 0.0 111.139 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 1.08 HD11 HD11 ' A' ' 50' ' ' ILE . 3.2 mt -127.34 110.63 13.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.566 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.02 121.4 46.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 111.137 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -90.47 129.75 36.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.839 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 mp -98.07 106.36 18.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.91 0.386 . . . . 0.0 110.625 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.525 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 6.2 mt -124.65 140.37 35.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.66 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.525 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 55.8 Cg_endo -73.25 73.95 3.16 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.073 1.849 . . . . 0.0 111.947 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 159.69 -24.19 0.3 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.492 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -177.0 154.32 1.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.78 0.324 . . . . 0.0 110.813 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -109.85 157.06 19.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -133.31 135.98 45.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.782 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -113.11 135.07 54.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.087 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.412 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 25.9 t -118.94 149.62 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -100.84 132.49 46.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.033 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.08 HD11 HD11 ' A' ' 37' ' ' LEU . 33.2 mm -116.09 115.11 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.581 HG22 ' O ' ' A' ' 32' ' ' THR . 0.5 OUTLIER -102.57 168.09 9.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.5 179.731 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.434 ' HA ' HD23 ' A' ' 82' ' ' LEU . 2.1 p-10 -76.96 62.67 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.983 0.421 . . . . 0.0 110.44 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.537 ' C ' ' H ' ' A' ' 55' ' ' VAL . 7.3 ttt85 -84.0 1.66 42.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.877 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.444 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 1.4 m-20 71.31 -38.19 0.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.078 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.537 ' H ' ' C ' ' A' ' 53' ' ' ARG . 66.6 t -137.49 134.44 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.18 179.465 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.555 HG23 ' HB3' ' A' ' 65' ' ' ASP . 48.3 m -125.46 119.96 29.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.905 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.537 HG23 ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -103.84 132.76 49.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.956 0.408 . . . . 0.0 111.14 -179.524 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.599 HG21 ' CD2' ' A' ' 127' ' ' PHE . 5.2 mp -115.6 119.75 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.6 -126.51 1.27 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.559 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.517 ' HG3' HG22 ' B' ' 5' ' ' TPO . 0.0 OUTLIER -124.46 -28.96 3.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.633 0.254 . . . . 0.0 111.398 -179.779 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.9 137.9 6.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.915 0.388 . . . . 0.0 111.363 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -30.08 71.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 76.7 p -74.99 -22.9 58.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.233 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.1 m -54.43 159.54 2.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.778 0.323 . . . . 0.0 111.089 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.555 ' HB3' HG23 ' A' ' 56' ' ' THR . 10.2 t70 -79.99 -49.95 11.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.961 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.434 HG12 HD23 ' A' ' 68' ' ' LEU . 22.0 t -125.04 106.81 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.435 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.9 pt -108.91 129.01 64.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.734 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.766 HD12 ' N ' ' A' ' 69' ' ' SER . 3.3 pp -175.53 -163.41 0.12 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.243 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.909 ' CB ' HD13 ' A' ' 73' ' ' ILE . 7.4 t 85.59 -68.52 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.087 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 176.24 167.91 0.41 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.07 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -63.93 -13.75 39.15 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.842 2.361 . . . . 0.0 112.637 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -98.67 24.82 7.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.784 0.326 . . . . 0.0 110.829 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.909 HD13 ' CB ' ' A' ' 69' ' ' SER . 2.2 tp -92.66 139.5 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.435 ' HB2' ' CG ' ' A' ' 77' ' ' HIS . 0.6 OUTLIER -53.36 131.18 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.306 -179.669 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.6 -44.03 79.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.618 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.462 ' O ' ' C ' ' A' ' 77' ' ' HIS . 64.2 m-85 -102.84 13.75 33.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.286 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.462 ' C ' ' O ' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -17.17 -70.88 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.556 -1.202 . . . . 0.0 112.705 -179.579 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.632 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . . . -152.01 164.02 38.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.98 0.419 . . . . 0.0 111.741 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.537 ' HG2' HG23 ' A' ' 57' ' ' THR . 7.4 mt-10 -132.84 133.12 42.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.624 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.727 ' CE1' HG13 ' A' ' 97' ' ' VAL . 28.9 m-85 -119.44 122.76 42.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.615 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.444 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 6.9 m-70 -94.83 116.38 28.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.937 0.398 . . . . 0.0 111.365 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.617 HD22 HG22 ' A' ' 50' ' ' ILE . 3.7 tp -106.61 109.65 21.63 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.644 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.38 140.18 52.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.6 ' OE1' HD21 ' A' ' 34' ' ' LEU . 16.1 mt-30 -108.29 126.23 52.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.723 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.19 135.38 43.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.975 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -107.03 135.95 47.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.7 t -140.04 122.47 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.5 t0 74.03 -58.87 0.57 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.079 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -173.94 -40.83 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.777 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -92.8 108.29 19.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.715 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -82.95 140.22 32.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.009 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -114.42 154.27 28.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.819 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -108.52 120.09 41.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.81 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 mp -108.08 134.47 50.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.766 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.486 HG13 HD12 ' A' ' 82' ' ' LEU . 3.9 mp -119.33 137.97 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.225 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -113.93 144.09 43.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.799 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.727 HG13 ' CE1' ' A' ' 80' ' ' PHE . 3.4 t -105.68 133.95 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.291 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 36.0 mt -130.04 120.95 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.02 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.6 127.95 55.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.945 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -158.64 55.86 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -143.49 177.69 8.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.68 -24.42 10.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.54 -28.8 22.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.443 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 106.26 129.92 6.44 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.515 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.453 HG23 ' CD1' ' A' ' 127' ' ' PHE . 88.5 m -132.06 124.72 29.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.853 0.359 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -120.96 114.94 22.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 124' ' ' ARG . 2.9 tp -117.27 137.38 51.38 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-O 121.458 0.646 . . . . 0.0 111.439 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.7 m120 61.81 26.89 16.37 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.64 12.91 74.41 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.893 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -133.98 152.08 51.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.792 0.33 . . . . 0.0 110.784 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.45 133.32 42.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.5 tt -75.08 124.33 26.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.482 HG13 ' N ' ' A' ' 114' ' ' LYS . 11.1 p -121.33 -44.76 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.482 ' N ' HG13 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -91.29 148.8 22.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.902 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -87.48 166.52 14.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.991 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 25.8 t0 66.43 59.27 0.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.029 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.408 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 0.2 OUTLIER -84.03 139.05 32.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.695 179.723 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.572 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.4 tp -98.57 114.59 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-O 121.09 0.472 . . . . 0.0 111.312 -179.653 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.768 HD11 HD11 ' A' ' 125' ' ' ILE . 10.0 tt -103.12 136.48 42.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.443 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -132.13 178.14 7.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 22.0 p-10 -54.51 148.09 12.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.084 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 65.49 39.21 95.52 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.408 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -108.14 125.58 51.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.453 ' O ' HD12 ' A' ' 107' ' ' ILE . 79.8 mtt-85 -88.68 117.42 27.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.768 HD11 HD11 ' A' ' 119' ' ' LEU . 1.8 mt -114.83 134.91 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.671 HG13 ' O ' ' A' ' 131' ' ' CYS . 34.3 t -124.0 133.05 70.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.372 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.632 ' CZ ' ' HB3' ' A' ' 78' ' ' ALA . 10.1 m-85 -122.83 135.62 54.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.822 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 84.49 -69.11 3.39 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.301 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 168.95 -33.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.747 0.308 . . . . 0.0 111.092 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.49 -31.76 8.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.431 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' CYS . . . . . 0.671 ' O ' HG13 ' A' ' 126' ' ' VAL . 11.0 m -57.86 107.64 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.03 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 37.6 m -124.2 116.53 22.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -142.16 156.52 45.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.983 0.421 . . . . 0.0 111.225 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.578 HD21 ' HD2' ' A' ' 136' ' ' LYS . 6.5 tt -116.96 139.28 50.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.702 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.55 ' HD1' HD23 ' A' ' 37' ' ' LEU . 63.0 t80 -101.42 141.58 34.08 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.982 0.896 . . . . 0.0 111.902 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.578 ' HD2' HD21 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -154.34 146.42 23.66 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 113.873 -1.512 . . . . 0.0 110.844 179.755 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.431 ' CZ ' ' HB3' ' A' ' 121' ' ' ASN . 0.8 OUTLIER -76.56 139.59 40.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.377 . . . . 0.0 110.743 179.715 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -137.01 164.36 28.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.118 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.05 -45.39 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 23.3 t -105.08 -174.01 2.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.476 ' O ' HG22 ' A' ' 143' ' ' THR . 65.9 m -99.6 28.14 4.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 58.6 m 57.37 31.85 20.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.007 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.476 HG22 ' O ' ' A' ' 141' ' ' SER . 3.0 t -160.13 119.97 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -123.71 -64.55 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.587 HG22 ' H ' ' A' ' 146' ' ' GLU . 0.8 OUTLIER -111.21 -143.14 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.437 -1.116 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.587 ' H ' HG22 ' A' ' 145' ' ' ILE . 0.8 OUTLIER 61.02 113.48 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.939 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.09 -178.3 3.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -79.33 90.72 4.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -111.68 -175.06 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -88.49 83.98 6.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -95.67 93.34 7.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 21.5 t -136.39 121.98 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 20.5 m -82.32 106.47 14.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.11 119.44 24.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -129.8 152.82 48.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 79.8 p -70.93 163.76 26.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -155.77 30.6 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 60.0 p -73.14 74.73 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.919 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 m120 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.849 0.357 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.478 HG22 ' N ' ' B' ' 5' ' ' TPO . 3.3 mt 63.12 157.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' TPO . . . . . 0.517 HG22 ' HG3' ' A' ' 60' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -114.35 153.83 46.47 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.64 -168.21 0.3 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.686 2.258 . . . . 0.0 112.293 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -132.26 87.08 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 60.33 -177.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 3.5 p -159.65 124.03 3.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.871 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.85 0.357 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.46 30.08 7.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -136.23 85.55 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.53 113.35 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -157.52 150.12 22.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 59.6 p -157.7 113.66 2.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -172.76 77.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -130.65 90.93 39.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -57.77 142.08 95.95 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.614 2.209 . . . . 0.0 112.271 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.1 p -143.88 45.56 1.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -60.18 171.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.88 160.26 22.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -92.95 -110.68 0.1 Allowed 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.457 ' C ' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.31 129.45 23.63 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.786 0.327 . . . . 0.0 110.504 179.732 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.446 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.8 t -74.39 114.97 13.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.272 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.446 HD22 ' O ' ' A' ' 33' ' ' CYS . 2.8 mm? -124.6 -46.44 1.88 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.302 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -123.91 169.77 16.07 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.887 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.409 ' ND1' ' CB ' ' A' ' 138' ' ' ALA . 17.8 m80 -131.08 166.06 21.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.141 0.496 . . . . 0.0 111.374 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.826 HD23 HG13 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -126.66 116.41 20.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.527 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.6 t -95.94 121.8 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 111.206 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -90.13 116.05 27.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.76 106.83 18.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.806 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.528 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 35.6 mt -124.13 140.84 35.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.98 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.528 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 60.3 Cg_endo -75.07 89.25 1.18 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.24 1.96 . . . . 0.0 111.872 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.23 21.26 5.95 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.262 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.9 tttp 175.21 163.03 0.26 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.736 0.303 . . . . 0.0 110.57 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -145.98 150.0 35.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -143.33 137.06 28.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.99 123.09 49.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 19.7 t -111.6 139.9 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.223 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -82.0 134.22 35.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.826 HG13 HD23 ' A' ' 37' ' ' LEU . 28.0 mm -112.03 130.88 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.333 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.457 HG22 ' C ' ' A' ' 32' ' ' THR . 0.6 OUTLIER -108.96 167.96 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.605 179.785 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -67.27 -98.09 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.502 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.569 ' C ' ' H ' ' A' ' 55' ' ' VAL . 10.2 ttt85 73.73 -1.58 3.02 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 70.28 -33.0 0.25 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.738 0.304 . . . . 0.0 110.185 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.569 ' H ' ' C ' ' A' ' 53' ' ' ARG . 67.6 t -135.95 145.18 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.663 HG23 ' HB3' ' A' ' 65' ' ' ASP . 31.5 m -125.42 132.73 52.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.238 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.38 129.76 54.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.858 0.361 . . . . 0.0 110.708 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.42 ' CG2' HD11 ' A' ' 68' ' ' LEU . 22.9 mt -123.79 133.96 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.287 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 162.49 -119.08 0.86 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.542 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.421 ' HG2' HG21 ' B' ' 5' ' ' TPO . 0.0 OUTLIER -125.36 -33.07 2.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.717 0.294 . . . . 0.0 111.28 -179.811 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.54 ' HB2' HG23 ' A' ' 75' ' ' THR . 0.3 OUTLIER -48.78 133.46 17.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.266 -179.845 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -63.73 -31.01 72.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.1 p -69.91 -23.99 63.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.114 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 90.6 m -57.64 155.95 9.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.849 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.663 ' HB3' HG23 ' A' ' 56' ' ' THR . 8.2 t0 -66.85 -51.04 60.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.96 0.41 . . . . 0.0 110.853 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.66 111.51 32.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.092 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.7 mp -94.44 127.8 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.802 HD22 ' CD1' ' A' ' 73' ' ' ILE . 6.2 mp -83.2 -176.71 6.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.9 m -123.26 28.62 7.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.354 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.442 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 2.4 tp10 -102.62 132.73 21.0 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.591 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.04 -13.72 41.13 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.643 2.229 . . . . 0.0 112.914 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -123.62 38.62 4.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.718 0.294 . . . . 0.0 111.23 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.802 ' CD1' HD22 ' A' ' 68' ' ' LEU . 5.6 tp -91.18 134.24 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.172 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.414 ' HA ' HG22 ' B' ' 8' ' ' TPO . 44.1 t -67.51 131.81 46.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.987 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.54 HG23 ' HB2' ' A' ' 61' ' ' SER . 61.4 m -59.52 -41.43 89.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.813 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.477 ' O ' ' C ' ' A' ' 77' ' ' HIS . 0.6 OUTLIER -104.01 13.76 31.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.182 0.515 . . . . 0.0 111.408 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.58 ' CE1' ' HB3' ' A' ' 127' ' ' PHE . 22.5 t-80 -15.17 -67.8 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.655 -1.157 . . . . 0.0 112.891 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.86 164.02 39.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 111.506 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 56' ' ' THR . 3.7 pm0 -132.91 134.37 44.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.909 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.932 ' CZ ' HG13 ' A' ' 97' ' ' VAL . 5.6 m-85 -119.29 131.2 55.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.482 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.416 ' CE1' HG22 ' A' ' 55' ' ' VAL . 9.6 m-70 -94.68 116.12 28.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.968 0.413 . . . . 0.0 111.425 -179.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.601 HD12 HG23 ' A' ' 95' ' ' ILE . 0.3 OUTLIER -106.86 109.89 21.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.701 179.333 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 mt -121.47 140.08 52.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.09 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -109.29 127.85 54.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.784 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.6 ttm -120.77 143.09 49.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -101.26 117.75 35.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.3 t -140.08 131.12 31.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.25 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.19 49.16 11.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 55.6 26.46 9.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.093 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -132.29 -175.74 3.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.743 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -130.72 127.89 39.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.082 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.17 128.01 55.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.722 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -109.92 120.01 41.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.038 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.738 ' HG ' HD11 ' A' ' 118' ' ' ILE . 3.1 tp -123.69 135.26 53.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.537 179.643 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.655 ' HB ' HD23 ' A' ' 119' ' ' LEU . 3.9 mp -113.82 141.06 31.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 0.0 111.487 -179.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.417 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 0.5 OUTLIER -114.49 144.15 43.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.51 179.781 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.932 HG13 ' CZ ' ' A' ' 80' ' ' PHE . 11.8 t -115.36 122.94 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 111.32 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.7 mp -130.05 143.35 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.984 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -117.05 139.01 51.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.51 21.31 16.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.3 m 57.28 73.9 0.44 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.823 0.344 . . . . 0.0 111.007 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -162.1 122.38 2.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 67.88 10.69 7.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.799 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 53.01 99.93 0.01 OUTLIER Glycine 0 C--N 1.333 0.368 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.864 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 76.6 m -103.97 122.93 46.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.313 . . . . 0.0 110.668 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -110.05 137.28 48.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.971 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.1 tp -123.12 137.29 57.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.454 0.645 . . . . 0.0 111.241 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.8 m120 63.21 29.67 15.97 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.764 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.66 10.75 72.04 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.861 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -134.06 152.04 51.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.839 0.352 . . . . 0.0 110.839 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 41.2 mtm-85 -60.99 139.24 58.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 113' ' ' VAL . 1.4 tt -89.86 121.56 32.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.419 ' N ' HD23 ' A' ' 112' ' ' LEU . 13.7 p -117.0 -38.51 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.106 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -59.53 170.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.82 -32.05 8.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -122.03 80.11 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.077 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.42 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 2.9 t80 -84.07 139.31 32.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.714 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.738 HD11 ' HG ' ' A' ' 94' ' ' LEU . 8.2 tp -98.5 119.39 46.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.065 0.459 . . . . 0.0 111.429 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.655 HD23 ' HB ' ' A' ' 95' ' ' ILE . 1.3 tp -103.08 135.19 45.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -133.04 178.14 7.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.49 ' HB2' ' CE2' ' A' ' 137' ' ' TYR . 1.4 t30 -56.59 137.14 54.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.034 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 74.71 45.37 22.49 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.429 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -116.36 127.05 54.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 111.022 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 20.3 mtt-85 -87.73 122.67 31.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.498 HG21 ' CZ ' ' A' ' 127' ' ' PHE . 3.2 mp -119.49 121.94 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.4 t -108.08 123.95 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.064 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.58 ' HB3' ' CE1' ' A' ' 77' ' ' HIS . 97.1 m-85 -114.08 122.77 47.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.793 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 92.23 -69.78 1.79 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.391 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt 173.62 -34.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.739 0.304 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 93.3 p -111.58 -36.78 5.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.283 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 8.9 m -64.46 108.06 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 111.054 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.5 t -124.11 121.0 33.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -123.4 156.04 36.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.98 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.435 HD23 ' HD3' ' A' ' 136' ' ' LYS . 4.1 tp -117.28 140.02 50.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.503 ' CG ' HD21 ' A' ' 119' ' ' LEU . 21.2 t80 -106.32 141.6 37.38 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-O 121.838 0.827 . . . . 0.0 111.667 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.435 ' HD3' HD23 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -154.48 157.32 38.22 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 113.979 -1.464 . . . . 0.0 111.192 -179.855 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.49 ' CE2' ' HB2' ' A' ' 121' ' ' ASN . 4.3 m-85 -86.09 140.02 30.61 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.96 0.409 . . . . 0.0 110.627 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.409 ' CB ' ' ND1' ' A' ' 36' ' ' HIS . . . -120.04 73.03 0.96 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.068 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.69 158.39 10.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 35.8 p -148.25 89.08 1.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.955 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.1 t -101.07 -66.5 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 49.7 m -162.98 106.39 1.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 1.1 p -151.02 120.26 6.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 66.82 26.31 9.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.026 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.613 ' O ' HG22 ' A' ' 145' ' ' ILE . 22.4 mt -123.94 24.98 3.55 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 CA-C-O 121.707 0.765 . . . . 0.0 111.218 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -112.28 145.84 39.26 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 114.607 -1.179 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -102.21 139.67 37.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.86 95.24 9.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -86.79 124.96 33.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 60.4 175.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.26 -68.68 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 152' ' ' VAL . 10.9 p -179.0 125.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.13 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.3 m -118.23 99.29 6.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 17.9 m -129.75 97.1 4.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -140.09 110.58 6.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.26 -43.16 14.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -118.17 144.0 46.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.1 p -77.17 -176.89 4.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 6.3 t80 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.9 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.82 0.343 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 8.3 tp -132.79 141.32 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' TPO . . . . . 0.611 ' O3P' HG22 ' B' ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -55.51 148.71 32.64 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.03 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.51 -168.1 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.586 2.191 . . . . 0.0 112.352 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' TPO . . . . . 0.414 HG22 ' HA ' ' A' ' 74' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.04 169.09 9.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -85.03 160.65 19.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 5.9 p -123.78 137.5 54.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 26.4 m . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.144 -0.931 . . . . 0.0 110.871 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.852 0.358 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.8 mtt180 -102.54 -47.18 4.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.789 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 61.42 76.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -95.33 -61.87 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -167.44 34.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.29 118.4 28.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -167.37 61.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.528 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 13.4 tptt -69.73 -51.76 15.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.293 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 55.9 Cg_endo -69.99 158.95 54.97 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.263 1.975 . . . . 0.0 112.301 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 p -139.62 105.87 5.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.6 p -116.07 32.71 5.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -138.28 107.44 6.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -85.8 -111.5 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.692 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.23 128.72 22.77 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.742 0.306 . . . . 0.0 110.382 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -64.95 114.94 4.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.04 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.99 -40.21 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.782 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -140.86 170.02 24.68 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.427 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.684 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 31.2 m80 -131.84 164.33 26.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.86 0.362 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.572 HD23 ' HB ' ' A' ' 50' ' ' ILE . 2.5 mm? -123.78 134.77 53.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.662 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 133' ' ' PHE . 29.1 t -111.33 121.81 64.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -89.51 127.49 35.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.014 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 mp -93.42 106.54 18.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.907 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.427 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 39.4 mt -124.31 139.48 32.96 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.427 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 88.1 Cg_exo -47.31 92.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.419 2.079 . . . . 0.0 112.176 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.47 -111.69 3.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.075 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -57.34 143.04 41.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.757 0.313 . . . . 0.0 110.843 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -108.18 165.52 11.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -133.88 139.15 46.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -113.04 133.24 55.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.5 t -123.76 151.04 28.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.167 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -105.03 124.52 49.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.793 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.572 ' HB ' HD23 ' A' ' 37' ' ' LEU . 10.7 tt -116.12 132.17 66.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.013 0.435 . . . . 0.0 111.519 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.8 167.99 10.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.421 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.92 -87.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.282 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.527 ' C ' ' H ' ' A' ' 55' ' ' VAL . 12.0 ttt-85 72.88 -2.09 2.81 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 179.035 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.415 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 0.9 OUTLIER 71.23 -38.43 0.42 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.11 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.527 ' H ' ' C ' ' A' ' 53' ' ' ARG . 70.7 t -137.15 141.76 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.074 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.794 HG23 ' CB ' ' A' ' 65' ' ' ASP . 83.2 m -125.3 128.37 48.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.087 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.04 141.87 35.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.985 0.421 . . . . 0.0 111.274 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.705 HG13 ' HB3' ' A' ' 78' ' ' ALA . 6.1 mm -117.58 126.07 74.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.088 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 156.94 -160.32 30.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.692 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.495 ' HD3' HG22 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -97.87 -13.12 21.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.533 0.206 . . . . 0.0 111.193 -179.892 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.412 ' HB2' HG22 ' A' ' 75' ' ' THR . 0.2 OUTLIER -49.84 149.98 2.37 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.839 0.352 . . . . 0.0 111.13 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -71.31 -31.35 67.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.786 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.33 -18.1 43.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 3.3 m -54.07 155.22 3.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.77 0.319 . . . . 0.0 111.136 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.794 ' CB ' HG23 ' A' ' 56' ' ' THR . 0.3 OUTLIER -72.96 -57.93 3.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.729 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 t -110.58 127.57 67.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.156 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.5 pt -95.12 105.01 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.011 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.413 ' N ' HD22 ' A' ' 68' ' ' LEU . 3.3 mm? -61.01 -177.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.996 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 p -123.37 30.24 6.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.03 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.63 123.38 38.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.814 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -55.98 -18.99 24.29 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.498 2.132 . . . . 0.0 112.78 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -126.16 39.57 3.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.771 0.319 . . . . 0.0 111.187 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.495 HG22 ' HD3' ' A' ' 60' ' ' ARG . 3.9 tp -77.55 146.63 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.258 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.435 ' HB3' ' CG ' ' A' ' 77' ' ' HIS . 32.9 t -75.23 130.93 39.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.412 HG22 ' HB2' ' A' ' 61' ' ' SER . 1.7 m -61.45 -43.88 98.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 77' ' ' HIS . 98.3 m-85 -99.83 14.05 31.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.277 0.56 . . . . 0.0 111.575 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -20.25 -56.61 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.94 -179.288 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.705 ' HB3' HG13 ' A' ' 58' ' ' ILE . . . -152.68 163.95 38.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.102 0.477 . . . . 0.0 111.909 -179.404 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -141.64 122.06 14.06 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.51 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.679 ' HZ ' HD13 ' A' ' 125' ' ' ILE . 74.4 m-85 -119.32 131.21 55.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.141 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -94.73 116.23 28.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.754 0.311 . . . . 0.0 110.517 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 0.9 OUTLIER -106.59 109.54 21.48 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.137 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.11 140.05 53.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -106.33 135.63 47.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.75 120.15 9.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -83.94 133.62 34.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.2 t -140.01 124.63 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.019 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 74.48 -57.74 0.6 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.099 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.86 -41.78 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.813 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -83.38 155.41 23.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.712 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -85.71 127.92 34.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.997 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.72 115.13 29.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.668 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -113.97 125.25 53.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.957 0.408 . . . . 0.0 111.152 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.16 142.61 44.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.467 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.45 ' N ' HD12 ' A' ' 95' ' ' ILE . 4.4 mp -124.66 141.23 45.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.847 0.356 . . . . 0.0 111.393 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -114.01 144.03 43.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.491 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.569 HG13 ' CE1' ' A' ' 80' ' ' PHE . 43.9 t -109.47 122.48 64.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.011 0.434 . . . . 0.0 111.518 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.9 mp -130.26 120.88 50.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.469 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.596 ' HB2' HD13 ' A' ' 112' ' ' LEU . 81.1 m-20 -111.83 132.01 54.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.136 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.36 60.01 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.909 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.73 -175.5 2.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -112.19 -34.54 5.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -61.18 -71.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.255 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 161.03 127.29 0.88 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.499 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 61.0 m -131.98 125.96 32.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.816 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -120.98 129.86 53.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.74 HD13 HD12 ' A' ' 125' ' ' ILE . 3.3 tp -118.92 137.27 53.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 121.441 0.639 . . . . 0.0 111.259 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.7 m120 61.21 27.57 17.29 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.81 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.7 9.8 70.5 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.843 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -134.07 152.0 51.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -70.4 142.64 52.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.596 HD13 ' HB2' ' A' ' 99' ' ' ASP . 0.6 OUTLIER -72.94 137.15 45.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.0 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.57 HG13 ' HG3' ' A' ' 114' ' ' LYS . 12.0 p -111.99 -31.6 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.055 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.57 ' HG3' HG13 ' A' ' 113' ' ' VAL . 9.6 mttt -122.26 174.69 6.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.773 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.91 32.48 5.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -148.05 56.23 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.053 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.527 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 2.0 t80 -84.06 139.61 32.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.502 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.1 tp -97.99 121.39 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.063 0.459 . . . . 0.0 111.352 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.561 HD23 ' N ' ' A' ' 120' ' ' LYS . 8.7 tt -102.97 135.83 43.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.082 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.561 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -131.54 177.0 7.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.707 179.839 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.441 ' HB2' ' CE2' ' A' ' 137' ' ' TYR . 33.3 t-20 -54.59 136.61 44.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.605 ' HA2' HD21 ' A' ' 134' ' ' LEU . . . 76.11 47.89 10.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.459 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -114.72 128.11 56.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.819 0.342 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.479 ' CG ' HD12 ' A' ' 134' ' ' LEU . 5.7 mtm180 -103.99 131.3 51.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.74 HD12 HD13 ' A' ' 107' ' ' ILE . 13.3 tt -131.06 138.05 54.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.668 HG22 ' OG ' ' A' ' 132' ' ' SER . 34.6 t -114.53 123.91 70.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.215 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.442 ' HB3' ' CE1' ' A' ' 77' ' ' HIS . 61.0 m-85 -106.77 141.83 37.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.836 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.87 -64.21 1.21 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.483 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 16.1 pttp 175.8 -49.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.74 0.305 . . . . 0.0 111.235 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 84.9 p -100.32 -35.38 9.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.442 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 30.6 m -57.08 108.02 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 111.061 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.668 ' OG ' HG22 ' A' ' 126' ' ' VAL . 5.8 m -124.02 134.64 53.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.776 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.414 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 20.4 m-85 -140.39 156.1 46.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.975 0.417 . . . . 0.0 111.141 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.605 HD21 ' HA2' ' A' ' 122' ' ' GLY . 3.6 tt -126.36 140.1 52.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.794 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.562 ' N ' HD23 ' A' ' 134' ' ' LEU . 67.0 t80 -106.35 141.88 36.94 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 122.018 0.914 . . . . 0.0 111.854 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.469 ' CD ' HD22 ' A' ' 134' ' ' LEU . 0.3 OUTLIER -154.15 134.73 13.54 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 113.914 -1.494 . . . . 0.0 110.675 179.766 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.508 ' N ' ' CD1' ' A' ' 137' ' ' TYR . 0.5 OUTLIER -68.31 139.59 55.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.964 0.411 . . . . 0.0 110.75 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.684 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . . . -90.63 97.91 11.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.062 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 34.9 t -151.21 -46.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.13 130.98 17.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 83.4 p -146.38 -48.45 0.2 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.4 m -75.32 -176.3 3.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 5.7 m 60.38 104.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.53 45.44 1.01 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.9 mp -144.7 118.36 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.216 0 CA-C-O 121.633 0.73 . . . . 0.0 109.589 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -94.18 -70.8 0.69 Allowed 'General case' 0 C--N 1.296 -1.754 0 CA-C-N 114.492 -1.231 . . . . 0.0 110.952 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -79.63 160.32 26.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.816 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.71 108.5 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.22 128.33 39.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.61 145.99 41.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -87.89 149.29 24.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.539 ' O ' HG23 ' A' ' 152' ' ' VAL . 28.7 m -130.5 111.93 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 91.7 p -143.32 -51.68 0.35 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.35 60.31 1.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -157.44 171.99 19.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.846 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 12.3 t 60.82 99.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -62.32 -179.94 0.27 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.29 102.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.854 179.941 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.832 0.349 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 10.2 pt -130.65 159.44 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.088 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.26 138.93 86.96 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.53 95.43 1.0 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.476 2.118 . . . . 0.0 112.333 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.31 -172.86 3.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.07 151.11 20.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 6.0 p -101.34 164.4 11.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.8 mttm . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.784 0.326 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -134.33 -61.29 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.72 -43.26 2.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -152.9 -176.4 5.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.46 -48.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.1 m -75.33 -63.38 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.831 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -61.89 169.08 2.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.55 107.98 22.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.793 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.25 141.04 55.42 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.385 2.057 . . . . 0.0 112.229 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.0 t -99.11 107.93 20.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.7 p -98.35 29.27 3.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -149.1 128.14 12.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.528 ' N ' HG21 ' A' ' 51' ' ' THR . 3.2 m-85 -58.0 -97.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.544 ' N ' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.38 128.86 22.73 Favored 'General case' 0 C--O 1.231 0.13 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.592 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.44 119.16 8.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.892 0.377 . . . . 0.0 111.08 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.651 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.9 OUTLIER -118.44 -38.97 3.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.661 179.801 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.47 ' C ' HG22 ' A' ' 50' ' ' ILE . . . -155.15 -169.3 19.52 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.296 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.512 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 52.0 m80 -146.38 162.1 38.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.971 0.415 . . . . 0.0 110.758 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.545 HD13 HG11 ' A' ' 66' ' ' VAL . 1.9 mt -127.23 107.87 10.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.748 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.588 HG22 ' HG3' ' A' ' 47' ' ' LYS . 20.3 t -98.83 121.89 49.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.563 ' O ' HD12 ' A' ' 41' ' ' ILE . 1.9 m-20 -89.75 120.83 31.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 mp -86.62 106.78 17.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.563 HD12 ' O ' ' A' ' 39' ' ' ASN . 2.8 mp -124.12 140.18 34.27 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.831 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.531 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 58.8 Cg_endo -74.5 89.16 1.11 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.151 1.9 . . . . 0.0 112.123 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.81 1.89 6.83 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.737 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.3 tttp 177.93 167.98 0.73 Allowed 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.788 0.327 . . . . 0.0 110.741 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -138.45 158.38 44.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.828 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.92 122.66 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.072 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.588 ' HG3' HG22 ' A' ' 38' ' ' VAL . 31.9 tttt -113.0 125.24 54.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.6 t -124.04 139.88 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.21 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -86.03 130.7 34.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.712 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.522 HG21 ' HE1' ' A' ' 135' ' ' PHE . 5.9 tt -116.12 132.06 66.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.042 0.449 . . . . 0.0 111.519 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.544 HG22 ' N ' ' A' ' 32' ' ' THR . 0.5 OUTLIER -102.1 168.14 9.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.416 179.781 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.09 -91.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.553 ' C ' ' H ' ' A' ' 55' ' ' VAL . 10.6 ttt180 72.8 -2.9 2.54 Favored 'General case' 0 N--CA 1.462 0.156 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.7 m120 70.4 -33.2 0.26 Allowed 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.553 ' H ' ' C ' ' A' ' 53' ' ' ARG . 64.8 t -136.17 138.59 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-O 121.041 0.448 . . . . 0.0 110.997 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.691 HG23 ' HB3' ' A' ' 65' ' ' ASP . 53.3 m -125.33 124.46 41.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.181 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.82 125.21 50.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 110.793 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.646 HG21 ' CE2' ' A' ' 127' ' ' PHE . 3.4 mp -107.84 125.02 64.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.18 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.63 -142.62 7.74 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.48 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.636 ' HD2' HG22 ' A' ' 73' ' ' ILE . 3.3 ttt85 -112.07 -23.74 10.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.717 0.294 . . . . 0.0 111.146 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.6 t -47.31 142.53 3.94 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.196 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.91 -22.43 66.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.7 m -86.22 -17.71 34.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.456 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 2.1 m -53.98 134.87 43.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.695 0.283 . . . . 0.0 111.117 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.691 ' HB3' HG23 ' A' ' 56' ' ' THR . 8.0 t70 -61.51 -44.8 96.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.904 0.383 . . . . 0.0 110.627 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.545 HG11 HD13 ' A' ' 37' ' ' LEU . 22.7 t -124.79 113.6 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.007 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.5 pt -96.01 130.04 45.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.221 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.842 HD13 HD11 ' A' ' 73' ' ' ILE . 0.6 OUTLIER -89.13 -177.2 5.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.81 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.2 m -120.64 59.26 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.21 121.31 22.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.782 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.46 -21.86 25.42 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.456 2.104 . . . . 0.0 112.611 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -123.01 35.02 4.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.069 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.842 HD11 HD13 ' A' ' 68' ' ' LEU . 2.4 tp -76.72 132.14 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.254 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.3 m -62.47 131.66 49.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.285 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.9 m -67.74 -43.93 78.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.905 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.462 ' O ' ' C ' ' A' ' 77' ' ' HIS . 3.5 m-85 -96.42 13.8 26.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.221 0.534 . . . . 0.0 111.334 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.462 ' C ' ' O ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -17.25 -73.71 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.572 -1.195 . . . . 0.0 112.952 -179.358 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -159.79 164.06 34.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.009 0.433 . . . . 0.0 111.917 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -126.6 131.4 51.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.554 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.891 ' CZ ' HG13 ' A' ' 97' ' ' VAL . 5.0 m-85 -119.32 131.19 55.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.742 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -94.77 116.26 28.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.874 0.369 . . . . 0.0 111.257 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -106.79 109.53 21.46 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.765 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.22 139.53 53.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.18 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -129.08 128.86 44.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.766 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.28 132.43 20.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.982 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -107.07 138.29 43.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.764 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.4 p -140.04 137.79 38.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.208 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 67.93 -67.73 0.18 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.031 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 178.75 39.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.793 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -152.28 131.13 12.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.765 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -82.93 127.98 34.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.2 ttm-85 -115.79 110.94 19.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.625 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.408 ' OD1' HD11 ' A' ' 34' ' ' LEU . 5.9 m-80 -112.77 124.98 53.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.6 mp -131.98 137.24 47.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.712 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.473 ' N ' HD12 ' A' ' 95' ' ' ILE . 4.4 mp -118.85 137.7 51.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.272 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.549 ' OD1' HD11 ' A' ' 98' ' ' ILE . 19.6 t-20 -114.58 144.11 43.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.711 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.891 HG13 ' CZ ' ' A' ' 80' ' ' PHE . 21.7 t -107.32 135.08 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.451 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.549 HD11 ' OD1' ' A' ' 96' ' ' ASN . 24.6 mm -127.59 120.89 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.832 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.639 ' HB3' HD13 ' A' ' 112' ' ' LEU . 2.3 p30 -106.79 138.98 41.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.0 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -171.45 45.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -120.04 -176.31 3.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.97 -30.11 8.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.98 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -58.21 -75.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.224 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.58 128.69 2.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.474 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.747 ' HB ' HD12 ' A' ' 112' ' ' LEU . 4.0 m -127.6 123.09 34.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 0.0 110.799 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.431 ' CE2' ' HB3' ' A' ' 111' ' ' ARG . 8.0 m-85 -109.25 130.67 55.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.654 HG22 ' HG ' ' A' ' 112' ' ' LEU . 3.8 tp -123.08 137.27 57.08 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-O 121.484 0.659 . . . . 0.0 111.367 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.7 m120 60.22 35.5 20.96 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.791 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.75 13.14 74.95 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.83 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -133.82 151.63 51.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.862 0.363 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.431 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -69.16 142.92 54.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.747 HD12 ' HB ' ' A' ' 105' ' ' THR . 3.8 mt -70.93 120.3 16.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 114' ' ' LYS . 11.4 p -122.81 -43.83 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.466 ' N ' HG13 ' A' ' 113' ' ' VAL . 4.0 mtmt -69.32 175.05 4.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.49 -29.26 8.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.047 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -118.84 76.27 1.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.951 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.428 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 0.8 OUTLIER -84.03 139.14 32.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.871 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.568 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.5 tp -98.41 116.43 41.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.1 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.644 HD21 ' CD2' ' A' ' 135' ' ' PHE . 3.8 tt -103.03 131.63 49.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.042 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.96 178.05 6.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.782 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 4.4 p-10 -61.37 141.26 57.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.95 51.49 23.69 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.515 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.528 ' C ' HD12 ' A' ' 134' ' ' LEU . 4.6 m-20 -121.84 127.17 50.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.811 0.338 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.469 ' O ' HD12 ' A' ' 107' ' ' ILE . 1.3 mtt180 -81.01 128.6 33.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.733 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.421 ' HB ' ' CE1' ' A' ' 133' ' ' PHE . 2.9 mp -127.24 138.01 56.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.2 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 38.0 t -123.35 133.94 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.079 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.646 ' CE2' HG21 ' A' ' 58' ' ' ILE . 5.2 m-85 -123.39 138.32 54.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.014 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 78.9 -65.82 3.47 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.483 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.9 pttm 172.42 -35.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.72 0.295 . . . . 0.0 111.036 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.19 -39.14 4.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.55 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 32.0 m -55.96 106.93 0.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.891 0.377 . . . . 0.0 111.197 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.4 m -124.3 128.09 48.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.85 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.421 ' CE1' ' HB ' ' A' ' 125' ' ' ILE . 16.2 p90 -141.98 156.05 45.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.917 0.389 . . . . 0.0 111.169 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.528 HD12 ' C ' ' A' ' 123' ' ' ASP . 4.3 tp -113.42 140.05 48.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.644 ' CD2' HD21 ' A' ' 119' ' ' LEU . 65.3 t80 -102.13 141.7 34.55 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.972 0.891 . . . . 0.0 111.82 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -154.35 151.75 29.42 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 113.874 -1.512 . . . . 0.0 110.802 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.439 ' N ' ' CD1' ' A' ' 137' ' ' TYR . 0.8 OUTLIER -82.74 139.81 33.4 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.009 0.433 . . . . 0.0 110.877 179.803 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.512 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . . . -107.06 129.33 54.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.153 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.5 m -147.24 130.29 16.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.22 123.64 47.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 15.1 t -117.8 141.37 48.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.9 m 60.72 157.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 4.3 m -71.16 118.58 14.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.68 -173.03 2.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.959 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.608 ' O ' HG22 ' A' ' 145' ' ' ILE . 1.6 mt -103.58 24.94 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.344 0 CA-C-O 121.738 0.78 . . . . 0.0 111.42 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -86.34 179.99 6.78 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 114.581 -1.191 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -63.36 133.61 54.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -89.61 -31.58 17.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.4 t0 61.75 114.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.6 164.24 29.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 5.9 pttt -168.32 169.7 10.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 21.5 t 60.67 87.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.4 m -119.89 92.62 3.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 38.1 p -153.18 135.02 14.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -74.86 -177.84 3.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 39.0 t -116.16 146.83 41.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 60.58 31.63 20.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 29.7 t -141.63 153.9 45.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 2.4 t80 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.864 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.852 0.358 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.601 HG23 ' O ' ' B' ' 4' ' ' ILE . 0.5 OUTLIER -127.99 74.66 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.004 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 5' ' ' TPO . . . . . 0.616 ' O3P' HG22 ' B' ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.35 148.99 66.4 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.19 -173.78 1.01 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.524 2.149 . . . . 0.0 112.314 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -130.19 135.49 48.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -64.28 87.83 0.05 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.92 91.55 4.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.1 p . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.906 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.467 ' N ' HG21 ' A' ' 51' ' ' THR . 0.5 OUTLIER . . . . . 0 CA--C 1.533 0.301 0 CA-C-O 120.352 0.12 . . . . 0.0 111.049 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.558 ' N ' HG22 ' A' ' 51' ' ' THR . 0.7 OUTLIER -140.32 129.82 24.1 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.747 0.308 . . . . 0.0 110.598 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.0 t -59.67 145.03 46.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.029 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.469 HD11 ' CG ' ' A' ' 93' ' ' ASN . 0.7 OUTLIER -159.14 -58.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -134.25 171.5 22.17 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.788 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.637 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 42.8 m80 -140.6 164.87 29.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.905 0.383 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 1.137 HD11 HD11 ' A' ' 50' ' ' ILE . 2.1 mt -125.78 123.01 37.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.619 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -105.69 121.85 58.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.189 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -89.97 117.27 28.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.789 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -85.35 106.61 16.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.647 HG22 ' HD2' ' A' ' 42' ' ' PRO . 1.7 mt -124.18 141.15 36.53 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.612 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.647 ' HD2' HG22 ' A' ' 41' ' ' ILE . 60.8 Cg_endo -74.55 -2.29 12.22 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.233 1.956 . . . . 0.0 112.743 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -127.74 2.34 6.95 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.676 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.96 -164.53 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.752 0.31 . . . . 0.0 110.55 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -153.73 156.17 37.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.785 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -137.23 130.38 30.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -113.2 127.66 56.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.742 HG11 HG22 ' A' ' 66' ' ' VAL . 22.0 t -114.32 150.9 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.016 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -102.32 131.13 49.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.02 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.137 HD11 HD11 ' A' ' 37' ' ' LEU . 49.0 mm -110.79 123.45 66.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.558 HG22 ' N ' ' A' ' 32' ' ' THR . 0.3 OUTLIER -104.05 168.38 9.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.242 -179.768 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.545 ' HA ' HD12 ' A' ' 82' ' ' LEU . 35.5 m-80 -80.46 60.68 3.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.354 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.565 ' C ' ' H ' ' A' ' 55' ' ' VAL . 4.9 ttt180 -86.41 -0.38 55.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.843 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.429 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 1.5 t30 72.07 -35.16 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -178.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.565 ' H ' ' C ' ' A' ' 53' ' ' ARG . 67.5 t -137.14 134.05 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.555 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.8 HG23 ' CB ' ' A' ' 65' ' ' ASP . 59.6 m -125.21 131.31 53.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.148 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.422 ' N ' ' HB2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.83 138.65 40.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.925 0.393 . . . . 0.0 111.287 -179.578 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.475 ' N ' HD12 ' A' ' 58' ' ' ILE . 4.4 mp -129.42 127.03 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.055 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.11 -141.21 6.66 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.549 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.529 ' HG3' HG22 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -101.7 -29.24 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.832 0.348 . . . . 0.0 111.038 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.69 ' HB2' HG23 ' A' ' 75' ' ' THR . 0.3 OUTLIER -54.26 123.43 12.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 -179.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.404 ' HA ' HG21 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -59.7 -27.58 66.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.9 m -69.89 -28.72 65.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.776 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.1 m -55.61 167.71 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.698 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.8 ' CB ' HG23 ' A' ' 56' ' ' THR . 0.5 OUTLIER -70.97 -58.0 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.006 0.432 . . . . 0.0 110.692 179.807 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.786 HG21 ' CD1' ' A' ' 37' ' ' LEU . 25.4 t -112.31 120.54 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.078 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.404 HG21 ' HA ' ' A' ' 62' ' ' ARG . 2.1 pt -102.28 104.95 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.049 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.576 HD12 HD11 ' A' ' 73' ' ' ILE . 87.1 mt -67.65 -177.69 0.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.3 m -118.81 41.2 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.17 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.401 ' CB ' ' HB ' ' A' ' 73' ' ' ILE . 0.6 OUTLIER -104.77 134.02 19.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.604 179.809 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.12 -13.95 41.6 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.488 2.125 . . . . 0.0 112.731 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -133.03 33.55 3.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.672 0.273 . . . . 0.0 111.19 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.576 HD11 HD12 ' A' ' 68' ' ' LEU . 5.2 tp -77.8 124.35 36.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.997 0.427 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.6 m -55.69 133.3 50.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.372 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.69 HG23 ' HB2' ' A' ' 61' ' ' SER . 84.1 m -62.16 -43.72 98.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.716 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.469 ' O ' ' C ' ' A' ' 77' ' ' HIS . 4.5 m-85 -101.6 13.82 33.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.399 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.489 ' CD2' ' CD2' ' A' ' 127' ' ' PHE . 3.0 t60 -17.02 -65.02 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.681 -1.145 . . . . 0.0 112.702 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.811 ' HB3' ' CE2' ' A' ' 127' ' ' PHE . . . -155.98 163.98 39.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.138 0.494 . . . . 0.0 111.881 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -126.65 139.34 53.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.264 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.49 ' CE1' HG13 ' A' ' 97' ' ' VAL . 2.4 m-85 -119.46 130.34 55.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.725 0.297 . . . . 0.0 111.025 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.463 ' HB2' ' HB3' ' A' ' 96' ' ' ASN . 11.5 m170 -95.08 116.99 29.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.872 0.368 . . . . 0.0 111.137 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.747 HD22 ' CD1' ' A' ' 95' ' ' ILE . 0.4 OUTLIER -105.39 109.43 21.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.422 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.1 tt -122.24 140.11 52.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.274 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -128.87 120.96 27.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.692 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.5 ttt -129.78 146.79 51.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -107.11 124.76 50.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.7 p -138.01 134.37 44.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 74.61 -58.38 0.58 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -174.74 -40.25 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.776 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -85.9 -176.41 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.738 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -118.47 127.99 54.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -109.03 118.15 36.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.695 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.469 ' CG ' HD11 ' A' ' 34' ' ' LEU . 3.5 m-80 -107.93 143.24 36.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.197 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.65 HD23 HD11 ' A' ' 118' ' ' ILE . 1.6 mp -129.87 144.37 51.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.559 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.747 ' CD1' HD22 ' A' ' 82' ' ' LEU . 10.6 mm -121.01 137.54 54.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.241 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.463 ' HB3' ' HB2' ' A' ' 81' ' ' HIS . 25.5 t-20 -120.87 134.8 55.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.711 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.49 HG13 ' CE1' ' A' ' 80' ' ' PHE . 13.4 t -102.2 131.94 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.17 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 31.6 mt -129.67 120.99 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.991 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.5 ' OD2' HD22 ' A' ' 112' ' ' LEU . 97.3 m-20 -109.04 124.45 50.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -16.58 63.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.13 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m 68.47 99.63 0.06 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -168.97 -63.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -85.52 -69.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.254 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 154.29 109.18 0.34 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.464 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 52.3 m -121.8 126.77 49.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.765 0.317 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -118.5 130.09 55.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.001 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 124' ' ' ARG . 3.2 tp -122.16 137.37 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.478 0.656 . . . . 0.0 111.219 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 62.25 29.36 17.38 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.79 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.76 13.09 74.98 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.844 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -133.58 152.12 51.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.829 0.347 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -71.07 139.61 50.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' A' ' 117' ' ' TYR . 4.2 tp -87.57 135.85 33.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.446 HG13 ' N ' ' A' ' 114' ' ' LYS . 11.7 p -121.59 -42.55 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.446 ' N ' HG13 ' A' ' 113' ' ' VAL . 2.0 mtpt -76.36 162.8 27.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -106.71 30.38 6.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -160.52 63.36 0.32 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.633 ' HB2' HD11 ' A' ' 112' ' ' LEU . 13.3 t80 -84.11 137.8 33.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.712 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.65 HD11 HD23 ' A' ' 94' ' ' LEU . 8.4 tp -98.66 118.05 44.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-O 120.962 0.41 . . . . 0.0 111.446 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.712 HD21 ' CD2' ' A' ' 135' ' ' PHE . 0.8 OUTLIER -103.17 137.58 41.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.966 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.41 178.06 6.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.722 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.451 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 9.1 p30 -56.11 141.02 42.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.183 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.91 51.37 24.46 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.449 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.57 ' C ' HD12 ' A' ' 134' ' ' LEU . 1.2 m-20 -125.44 121.67 34.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 111.055 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.612 ' HG2' HD13 ' A' ' 134' ' ' LEU . 7.7 mtt85 -81.35 132.46 35.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.719 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.516 HD11 HD11 ' A' ' 119' ' ' LEU . 1.5 mp -127.6 138.05 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.419 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.609 HG22 ' OG ' ' A' ' 132' ' ' SER . 22.0 t -123.88 123.95 68.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.887 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.811 ' CE2' ' HB3' ' A' ' 78' ' ' ALA . 3.1 m-85 -111.91 122.97 49.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.12 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 92.71 -70.19 1.63 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.558 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 175.57 -36.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.768 0.318 . . . . 0.0 111.091 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 84.1 p -108.34 -42.61 4.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.345 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 21.7 m -56.35 107.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.36 . . . . 0.0 111.064 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.609 ' OG ' HG22 ' A' ' 126' ' ' VAL . 0.4 OUTLIER -124.19 128.23 48.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.811 179.821 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.412 ' CE2' ' HB ' ' A' ' 125' ' ' ILE . 13.3 p90 -142.14 155.16 45.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.066 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.612 HD13 ' HG2' ' A' ' 124' ' ' ARG . 11.0 tp -112.08 140.01 47.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.714 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.712 ' CD2' HD21 ' A' ' 119' ' ' LEU . 84.4 t80 -105.29 141.42 36.85 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.872 0.844 . . . . 0.0 111.995 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -154.48 140.73 18.57 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 113.818 -1.537 . . . . 0.0 110.67 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.451 ' CE2' ' HB3' ' A' ' 121' ' ' ASN . 12.8 m-85 -71.89 140.06 49.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.066 0.46 . . . . 0.0 110.615 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.637 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . . . . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.433 ' HB2' ' CG2' ' A' ' 51' ' ' THR . 28.2 m-85 . . . . . 0 CA--C 1.535 0.386 0 N-CA-C 110.582 -0.155 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.24 129.82 24.22 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-O 120.76 0.314 . . . . 0.0 110.47 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.99 140.84 56.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.015 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tp -138.04 -45.78 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.803 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.764 ' O ' HG22 ' A' ' 50' ' ' ILE . . . -159.78 -174.8 30.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.478 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.417 ' CD2' ' HA ' ' A' ' 49' ' ' GLU . 43.1 m80 -143.15 159.84 41.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.957 0.408 . . . . 0.0 110.996 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.588 ' CD1' HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -127.28 108.3 10.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.55 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.532 HG22 ' HG3' ' A' ' 47' ' ' LYS . 24.5 t -99.81 121.82 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.323 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.474 ' OD1' HD11 ' A' ' 68' ' ' LEU . 32.6 m-80 -90.15 131.67 35.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.751 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.471 ' O ' HD13 ' A' ' 41' ' ' ILE . 1.2 mp -97.99 106.89 19.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.471 HD13 ' O ' ' A' ' 40' ' ' LEU . 27.7 mm -123.43 134.54 25.29 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.986 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -51.21 -25.57 17.76 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.52 2.147 . . . . 0.0 112.669 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.467 ' H ' HG22 ' A' ' 41' ' ' ILE . . . -87.04 -27.2 29.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.611 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.3 tttm 176.32 -168.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.798 0.332 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -131.45 164.89 24.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.729 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.93 118.04 6.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.532 ' HG3' HG22 ' A' ' 38' ' ' VAL . 14.6 ttmm -107.94 124.57 50.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.7 t -120.49 137.59 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.417 ' HA ' ' CD2' ' A' ' 36' ' ' HIS . 4.1 tm-20 -82.04 137.67 35.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.705 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.764 HG22 ' O ' ' A' ' 35' ' ' GLY . 2.3 tt -116.0 132.13 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.075 0.464 . . . . 0.0 111.351 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.433 ' CG2' ' HB2' ' A' ' 31' ' ' TYR . 0.5 OUTLIER -106.96 168.07 9.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.853 -179.77 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -74.28 64.78 1.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.516 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.538 ' C ' ' H ' ' A' ' 55' ' ' VAL . 13.8 ttt180 -80.42 -0.18 36.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.946 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.414 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 54.7 t30 71.81 -35.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -178.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.538 ' H ' ' C ' ' A' ' 53' ' ' ARG . 61.5 t -137.25 137.15 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.489 HG23 ' CG ' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -125.25 120.3 30.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.98 179.576 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.407 ' C ' HD12 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -103.6 128.58 50.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.987 0.422 . . . . 0.0 111.243 -179.303 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.784 HG21 ' CE2' ' A' ' 127' ' ' PHE . 3.3 mp -115.52 126.1 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.432 ' HA2' HG13 ' A' ' 73' ' ' ILE . . . 165.74 -133.13 2.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.405 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.434 ' HB2' ' CG2' ' A' ' 73' ' ' ILE . 0.1 OUTLIER -117.43 -28.19 6.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.699 0.285 . . . . 0.0 111.203 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.692 ' HB2' HG23 ' A' ' 75' ' ' THR . 0.1 OUTLIER -46.56 125.49 7.09 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.17 -179.742 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -55.38 -27.45 47.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.822 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 m -76.88 -23.41 52.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.201 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 69.4 m -54.13 160.23 1.63 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.723 0.297 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.509 ' OD1' HG23 ' A' ' 66' ' ' VAL . 7.7 t0 -74.72 -56.34 4.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.12 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.588 HG11 ' CD1' ' A' ' 37' ' ' LEU . 19.6 t -125.08 133.18 70.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.689 -179.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.8 pt -98.83 131.01 46.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.502 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.474 HD11 ' OD1' ' A' ' 39' ' ' ASN . 0.3 OUTLIER -128.25 133.94 48.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 111.507 -179.519 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.62 ' O ' ' HB2' ' A' ' 70' ' ' GLU . 0.6 OUTLIER 67.52 -69.45 0.14 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.636 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.62 ' HB2' ' O ' ' A' ' 69' ' ' SER . 0.0 OUTLIER 98.73 -64.63 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.718 0 O-C-N 124.258 0.974 . . . . 0.0 112.15 179.415 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.603 ' HD3' ' HB3' ' A' ' 70' ' ' GLU . 35.8 Cg_exo -59.84 -40.06 66.57 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.057 1.838 . . . . 0.0 113.428 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -116.47 32.66 6.0 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.434 ' CG2' ' HB2' ' A' ' 60' ' ' ARG . 4.4 tp -108.97 131.43 59.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.954 0.407 . . . . 0.0 111.382 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' A' ' 77' ' ' HIS . 66.3 m -78.27 134.09 37.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.182 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.692 HG23 ' HB2' ' A' ' 61' ' ' SER . 88.3 m -57.48 -32.77 67.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.781 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 77' ' ' HIS . 1.7 m-85 -112.11 14.05 20.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.417 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.463 ' CD2' ' CD1' ' A' ' 127' ' ' PHE . 12.3 t60 -27.15 -70.99 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.794 -1.094 . . . . 0.0 112.731 -179.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -147.79 164.07 34.77 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -135.75 130.54 34.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.984 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.901 ' CZ ' HG13 ' A' ' 97' ' ' VAL . 6.5 m-85 -119.3 131.18 55.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.143 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.414 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 13.9 m-70 -94.85 116.58 28.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.096 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.36 109.77 21.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 15.6 mt -122.12 140.03 53.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.961 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.37 135.6 54.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.819 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -151.99 144.51 24.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.977 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -101.03 128.72 46.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.423 HG12 ' HB2' ' A' ' 92' ' ' ARG . 12.1 p -139.7 135.13 39.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 t0 60.13 40.96 17.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.3 t30 60.2 31.26 20.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -142.23 158.2 44.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -86.52 127.94 34.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.423 ' HB2' HG12 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -114.97 117.66 31.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -110.33 124.19 51.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.996 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.401 ' CD1' ' HG3' ' A' ' 92' ' ' ARG . 1.3 mp -129.71 125.74 36.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.759 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.502 HD13 HD23 ' A' ' 119' ' ' LEU . 4.2 mp -112.96 137.19 46.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.226 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.01 125.5 54.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.645 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.901 HG13 ' CZ ' ' A' ' 80' ' ' PHE . 21.3 t -95.96 135.02 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.41 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.4 mm -121.01 143.66 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.823 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -105.47 116.76 32.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.011 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -143.69 31.15 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.793 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.422 ' OG ' ' CG ' ' A' ' 77' ' ' HIS . 16.8 m -102.96 161.08 14.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.037 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.85 -29.78 7.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.729 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -74.22 -63.83 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.277 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 167.57 134.58 1.73 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.634 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.404 HG23 ' HD1' ' A' ' 127' ' ' PHE . 90.0 m -132.12 122.96 26.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.614 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -118.56 124.7 48.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.041 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.829 HG21 HD12 ' A' ' 112' ' ' LEU . 3.0 tp -123.1 137.24 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.526 0.679 . . . . 0.0 111.321 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 59.27 27.83 16.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.789 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.63 9.27 69.17 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.814 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -134.07 152.06 51.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.805 0.336 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.37 133.89 47.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.829 HD12 HG21 ' A' ' 107' ' ' ILE . 0.9 OUTLIER -77.12 141.47 40.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.761 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 15.9 m -154.74 153.55 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.301 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 70.77 6.76 5.97 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.616 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? 46.47 -169.79 0.01 OUTLIER 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.949 0.404 . . . . 0.0 111.344 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.1 t70 52.91 48.03 23.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.284 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.411 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 39.6 t80 -84.1 138.51 33.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.78 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.534 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.4 tp -98.63 119.24 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.339 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.619 HD11 HD11 ' A' ' 125' ' ' ILE . 5.0 tt -103.24 144.71 30.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -132.68 178.05 7.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.754 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 11.6 p-10 -61.01 147.97 41.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 66.83 43.01 92.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -112.92 136.36 52.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.32 . . . . 0.0 110.94 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.443 ' O ' HD12 ' A' ' 107' ' ' ILE . 0.0 OUTLIER -93.84 119.85 33.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.619 HD11 HD11 ' A' ' 119' ' ' LEU . 2.3 mt -115.04 132.09 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.062 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 29.5 t -124.02 133.97 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.305 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.784 ' CE2' HG21 ' A' ' 58' ' ' ILE . 7.1 m-85 -118.16 142.66 47.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.53 -64.77 0.81 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.527 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 171.74 -37.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.795 0.331 . . . . 0.0 110.983 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 68.9 p -104.08 -43.15 5.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.331 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 79.6 m -53.17 104.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.851 0.358 . . . . 0.0 111.265 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.2 m -124.5 132.33 53.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.918 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.449 ' CZ ' ' CG2' ' A' ' 125' ' ' ILE . 2.6 p90 -142.04 156.23 45.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.218 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 5.9 tp -114.98 134.0 55.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.704 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.588 ' HE1' HG21 ' A' ' 50' ' ' ILE . 93.0 t80 -108.99 141.55 40.93 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 121.991 0.9 . . . . 0.0 111.757 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp -154.57 148.86 26.05 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-N 113.822 -1.535 . . . . 0.0 110.806 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.478 ' CD1' ' N ' ' A' ' 137' ' ' TYR . 1.0 OUTLIER -74.42 139.77 44.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.991 0.425 . . . . 0.0 110.717 179.715 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.173 -179.922 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.25 0 CA-C-O 121.44 0.638 . . . . 0.0 110.74 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.3 131.5 42.74 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.636 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.8 t -59.99 120.62 10.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.004 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.53 HD22 ' OD1' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -116.43 -39.79 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.73 179.851 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.93 154.0 20.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.379 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.451 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 28.8 m80 -118.92 161.68 19.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 111.034 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 1.093 HD12 HD11 ' A' ' 50' ' ' ILE . 17.7 mt -126.64 119.17 26.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.777 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.95 121.95 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.065 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -90.11 133.99 34.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.5 mt -117.48 107.02 13.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.401 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 2.8 mp -123.16 138.92 30.63 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.074 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.401 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 54.3 Cg_exo -52.11 90.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.512 2.141 . . . . 0.0 112.312 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.49 40.63 4.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 tttt 179.46 176.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 110.935 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -169.43 144.72 3.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -147.72 136.54 21.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -106.85 125.02 50.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.615 HG11 HG13 ' A' ' 66' ' ' VAL . 22.0 t -116.97 118.78 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.056 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.0 138.71 44.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.956 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.093 HD11 HD12 ' A' ' 37' ' ' LEU . 31.1 mm -113.93 125.23 71.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.567 ' O ' HD23 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -104.61 167.8 9.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.797 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -76.3 63.52 1.94 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.093 0.473 . . . . 0.0 110.659 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.541 ' C ' ' H ' ' A' ' 55' ' ' VAL . 15.7 ttt180 -83.87 2.25 39.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.605 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 71.66 -36.87 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -179.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.541 ' H ' ' C ' ' A' ' 53' ' ' ARG . 67.0 t -137.33 138.33 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.095 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.666 HG23 ' HB3' ' A' ' 65' ' ' ASP . 37.9 m -125.36 121.67 34.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.923 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.73 123.68 47.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.046 0.45 . . . . 0.0 111.031 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.3 mt -111.86 116.72 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.095 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.29 -149.88 11.07 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.419 ' HB2' ' CG2' ' A' ' 73' ' ' ILE . 0.8 OUTLIER -94.91 -25.73 16.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.655 0.264 . . . . 0.0 111.251 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.14 150.21 0.85 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.88 0.371 . . . . 0.0 111.368 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -39.14 61.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.749 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.07 -14.7 62.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.326 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 15.1 m -52.98 137.06 33.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.751 0.31 . . . . 0.0 111.122 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.666 ' HB3' HG23 ' A' ' 56' ' ' THR . 8.5 t70 -61.2 -42.98 99.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.731 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.615 HG13 HG11 ' A' ' 48' ' ' VAL . 21.6 t -124.16 125.89 71.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.031 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.3 pt -100.65 127.17 54.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.895 HD21 ' CZ ' ' A' ' 133' ' ' PHE . 0.5 OUTLIER -81.04 -165.79 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.1 p -136.32 23.45 3.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.495 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.444 ' HG2' HD13 ' A' ' 73' ' ' ILE . 10.9 pt-20 -116.44 132.55 23.27 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-O 120.54 0.209 . . . . 0.0 110.838 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 24.5 Cg_exo -63.35 -13.52 36.52 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.669 2.246 . . . . 0.0 113.155 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -106.44 29.53 6.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.67 0.271 . . . . 0.0 111.208 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.444 HD13 ' HG2' ' A' ' 70' ' ' GLU . 5.4 tp -89.26 126.36 42.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.938 0.399 . . . . 0.0 111.227 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 77' ' ' HIS . 0.9 OUTLIER -69.92 134.06 47.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.233 -179.581 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 m -60.01 -31.5 69.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.838 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 77' ' ' HIS . 2.2 m-85 -112.05 14.03 20.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.259 0.552 . . . . 0.0 111.467 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.442 ' CE1' ' HB3' ' A' ' 127' ' ' PHE . 2.5 t-160 -24.37 -68.87 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.676 -1.147 . . . . 0.0 112.619 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -150.37 158.28 43.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.098 0.475 . . . . 0.0 111.984 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.526 ' O ' HD12 ' A' ' 98' ' ' ILE . 3.1 mt-10 -130.27 133.38 46.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.272 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.913 ' CE2' HG22 ' A' ' 97' ' ' VAL . 9.6 m-85 -119.31 131.06 55.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.132 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -95.57 116.36 28.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.918 0.389 . . . . 0.0 111.035 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.896 HD22 HG22 ' A' ' 50' ' ' ILE . 11.7 tp -106.51 109.74 21.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.1 mt -122.11 140.02 53.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.956 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -119.94 127.11 52.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.763 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.19 149.5 34.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.813 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -105.23 115.99 31.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.1 m -114.13 132.48 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 t70 74.87 -58.58 0.57 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.053 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -174.55 -39.74 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.88 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -86.52 157.2 19.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.786 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -86.89 129.54 34.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.067 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.37 126.15 53.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.732 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.53 ' OD1' HD22 ' A' ' 34' ' ' LEU . 3.7 m120 -110.95 124.51 52.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.161 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.6 mp -118.33 145.25 45.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.512 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.449 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.7 mp -127.26 141.04 47.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.854 0.359 . . . . 0.0 111.25 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.95 144.09 44.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.607 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.913 HG22 ' CE2' ' A' ' 80' ' ' PHE . 21.2 t -114.29 127.71 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.295 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 79' ' ' GLU . 3.5 mt -122.56 122.54 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.748 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.822 ' OD2' HD21 ' A' ' 112' ' ' LEU . 6.3 m-20 -107.62 128.23 54.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.226 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.12 34.82 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.759 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.25 -168.84 2.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.959 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -109.96 -35.54 6.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -81.87 -54.22 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 137.47 150.07 5.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.688 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.555 HG21 ' CE1' ' A' ' 127' ' ' PHE . 90.3 m -132.09 139.03 48.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.727 0.298 . . . . 0.0 110.687 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -119.39 138.74 52.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.012 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.821 HG22 HD22 ' A' ' 112' ' ' LEU . 3.0 tp -122.93 137.39 56.57 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 CA-C-O 121.576 0.703 . . . . 0.0 111.224 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 60.85 30.65 19.78 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.63 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.74 12.1 73.97 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.841 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -134.04 146.35 50.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.845 0.355 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.98 131.11 40.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.822 HD21 ' OD2' ' A' ' 99' ' ' ASP . 0.9 OUTLIER -100.15 143.76 29.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 17.7 m -112.27 -32.3 2.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -68.01 169.66 9.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.818 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.93 -30.13 7.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -99.97 66.46 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.949 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.404 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 24.9 t80 -84.1 139.25 32.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.708 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.632 HD13 ' C ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -98.66 119.81 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 -179.669 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.541 ' N ' HD13 ' A' ' 118' ' ' ILE . 8.2 tt -103.0 142.49 34.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.855 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.458 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.7 OUTLIER -132.61 178.1 7.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.804 179.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.444 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 8.1 p30 -58.07 143.71 42.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.99 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 68.22 49.14 48.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.433 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.6 121.42 37.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.804 0.335 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 28.1 mtm180 -96.27 122.36 39.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.629 HD13 ' HZ ' ' A' ' 80' ' ' PHE . 6.0 tt -120.86 137.88 53.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 22.7 t -114.81 124.97 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.295 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.555 ' CE1' HG21 ' A' ' 105' ' ' THR . 96.9 m-85 -111.46 149.83 30.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.823 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.49 -64.43 0.81 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.528 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.6 -38.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.724 0.297 . . . . 0.0 111.065 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.0 p -113.49 -36.35 4.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.286 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 133' ' ' PHE . 99.6 m -54.88 107.58 0.31 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.172 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 38.2 t -124.1 131.93 53.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.895 ' CZ ' HD21 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -132.49 156.01 47.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.987 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.7 tt -125.74 118.6 25.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.509 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.444 ' HD2' HD21 ' A' ' 119' ' ' LEU . 70.7 t80 -94.45 141.68 28.31 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 122.035 0.921 . . . . 0.0 112.099 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -154.31 149.53 27.01 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 113.821 -1.536 . . . . 0.0 110.672 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.509 ' CD1' ' N ' ' A' ' 137' ' ' TYR . 0.4 OUTLIER -83.81 139.37 32.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.371 . . . . 0.0 110.798 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.451 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . . . . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.427 ' CE2' ' HG3' ' A' ' 53' ' ' ARG . 28.2 m-85 . . . . . 0 CA--C 1.534 0.331 0 CA-C-O 120.295 0.093 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.2 128.54 22.59 Favored 'General case' 0 C--O 1.23 0.06 0 CA-C-O 120.693 0.283 . . . . 0.0 110.615 179.705 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.6 t -69.74 145.01 52.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.247 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.602 HD11 ' CG ' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -154.31 -57.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 179.826 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.44 163.21 29.51 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.818 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.426 ' CD2' ' HB3' ' A' ' 49' ' ' GLU . 9.4 m80 -130.94 155.46 46.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.84 0.352 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.941 HD21 HD11 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -127.05 132.77 50.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.54 179.667 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.1 t -103.61 129.26 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.395 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -90.0 113.92 25.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.73 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.6 mt -84.39 106.87 16.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.528 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 12.0 mt -124.28 140.35 34.82 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.806 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.528 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 57.8 Cg_endo -73.9 86.3 1.26 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.157 1.905 . . . . 0.0 112.029 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.74 -11.21 3.42 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.502 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -179.21 166.09 1.5 Allowed 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 120.76 0.314 . . . . 0.0 110.805 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.55 154.13 50.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.991 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.86 129.13 31.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -113.11 120.91 42.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.9 t -119.37 140.32 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.426 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 19.0 pm0 -90.93 134.58 34.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.15 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.941 HD11 HD21 ' A' ' 37' ' ' LEU . 31.0 mm -101.68 117.94 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.815 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -97.08 168.28 10.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.186 -179.722 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.516 ' OD1' HD12 ' A' ' 82' ' ' LEU . 25.8 m-80 -86.23 68.0 10.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.394 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.566 ' C ' ' H ' ' A' ' 55' ' ' VAL . 24.2 ttt-85 -90.98 4.27 52.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.888 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.441 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 1.2 t-20 71.66 -35.92 0.34 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.566 ' H ' ' C ' ' A' ' 53' ' ' ARG . 88.8 t -137.28 139.06 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.39 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.528 HG22 ' CB ' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -125.2 130.93 53.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.375 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.69 133.62 48.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.958 0.408 . . . . 0.0 110.872 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.445 HD12 ' CE1' ' A' ' 80' ' ' PHE . 27.1 mt -125.98 121.58 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.296 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.64 -137.32 4.15 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.156 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.622 ' HG3' HG22 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -111.34 -19.62 12.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.61 0.243 . . . . 0.0 111.117 179.815 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.68 ' HB2' HG23 ' A' ' 75' ' ' THR . 0.1 OUTLIER -53.45 151.12 5.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.858 0.361 . . . . 0.0 111.042 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -75.61 -38.34 59.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.95 -19.98 63.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.228 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 40.1 m -53.91 157.24 2.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.528 ' CB ' HG22 ' A' ' 56' ' ' THR . 0.7 OUTLIER -74.42 -59.96 2.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.968 0.414 . . . . 0.0 110.894 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.09 129.65 67.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.079 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.4 pt -101.49 106.53 19.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.184 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.717 ' CD1' HD11 ' A' ' 73' ' ' ILE . 61.4 mt -65.58 178.95 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.8 p -112.72 67.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.03 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.402 ' HB2' HD13 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -139.99 128.15 13.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.602 179.856 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.57 -16.73 54.97 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.43 2.087 . . . . 0.0 112.413 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -126.6 33.0 5.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.688 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.717 HD11 ' CD1' ' A' ' 68' ' ' LEU . 2.9 tp -74.35 125.97 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.116 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 m -55.72 133.22 50.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.173 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.68 HG23 ' HB2' ' A' ' 61' ' ' SER . 89.1 m -62.14 -38.86 90.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.454 ' O ' ' C ' ' A' ' 77' ' ' HIS . 5.5 m-85 -105.76 14.08 28.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.45 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.499 ' CD2' ' CD1' ' A' ' 127' ' ' PHE . 1.8 t60 -19.24 -68.98 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.585 -1.189 . . . . 0.0 112.888 -179.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . . . -150.96 164.1 37.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.975 0.417 . . . . 0.0 111.947 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 56' ' ' THR . 8.0 pt-20 -131.12 138.41 49.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.771 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.71 ' CZ ' HG13 ' A' ' 97' ' ' VAL . 10.0 m-85 -119.43 131.33 55.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.953 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.441 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 12.4 m-70 -94.73 116.73 29.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.839 0.352 . . . . 0.0 111.218 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.516 HD12 ' OD1' ' A' ' 52' ' ' ASN . 0.4 OUTLIER -106.08 109.36 21.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.691 179.636 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.46 140.06 53.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -113.94 129.36 56.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -136.53 147.96 47.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.103 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -103.17 119.65 39.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 m -127.81 115.62 40.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.338 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 55.94 78.45 0.2 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 66.39 -71.57 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.989 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -70.03 177.03 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.713 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.03 127.94 27.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.2 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -102.47 143.96 31.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.625 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.602 ' CG ' HD11 ' A' ' 34' ' ' LEU . 10.6 m120 -109.82 130.74 55.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.14 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.35 137.89 51.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.624 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.415 ' HB ' ' HB3' ' A' ' 119' ' ' LEU . 3.9 mp -121.01 140.39 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 111.28 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.97 144.08 43.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.929 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.71 HG13 ' CZ ' ' A' ' 80' ' ' PHE . 11.9 t -117.03 123.02 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.036 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.418 HD12 ' N ' ' A' ' 98' ' ' ILE . 3.8 mp -127.28 123.93 62.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.061 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.67 ' HB2' HD22 ' A' ' 112' ' ' LEU . 0.2 OUTLIER -114.03 130.74 56.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -149.62 42.92 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 m -123.8 -177.65 3.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -117.49 41.49 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.82 -34.3 5.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.311 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.77 125.29 5.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.445 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.467 ' HG1' ' HD1' ' A' ' 127' ' ' PHE . 56.2 m -132.06 126.1 33.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 111.022 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -121.08 115.01 22.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.797 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.624 ' HB ' HG23 ' A' ' 125' ' ' ILE . 0.0 OUTLIER -120.53 137.03 55.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.301 0.572 . . . . 0.0 111.257 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.541 ' HB2' HD13 ' A' ' 107' ' ' ILE . 0.9 OUTLIER 64.16 29.58 13.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.804 -179.809 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.65 11.98 73.49 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.903 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -134.0 141.17 47.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.815 0.341 . . . . 0.0 110.979 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -70.22 135.47 49.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.67 HD22 ' HB2' ' A' ' 99' ' ' ASP . 8.8 tt -83.95 122.61 28.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 17.1 m -115.46 -40.82 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.76 -178.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.789 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.56 -33.42 5.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.035 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.53 72.62 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.075 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -83.98 138.78 32.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.727 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.53 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.2 tp -98.66 118.04 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.984 0.421 . . . . 0.0 111.495 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.852 HD23 ' N ' ' A' ' 120' ' ' LYS . 3.6 tt -103.17 140.22 37.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.97 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.852 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -134.3 176.23 8.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.854 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.425 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 6.4 p-10 -58.8 141.51 52.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.978 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.418 ' HA2' HD21 ' A' ' 134' ' ' LEU . . . 74.11 53.03 7.25 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.502 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.494 ' HB2' HD21 ' A' ' 119' ' ' LEU . 90.0 m-20 -131.47 134.26 45.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.807 0.337 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -103.46 124.2 48.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.669 HD11 HD11 ' A' ' 119' ' ' LEU . 3.4 mp -120.87 126.34 75.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.089 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.4 t -109.47 133.85 53.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 78' ' ' ALA . 5.4 m-85 -119.72 130.62 55.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.077 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 85.78 -68.02 3.46 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.424 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 169.96 -33.44 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.742 0.306 . . . . 0.0 110.985 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 5.4 p -106.43 -42.72 4.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.396 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . 0.52 ' HB3' HD22 ' A' ' 68' ' ' LEU . 44.9 m -57.71 104.79 0.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.985 0.422 . . . . 0.0 111.202 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 29.0 t -124.5 125.86 44.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.918 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.432 ' CE1' ' HB ' ' A' ' 125' ' ' ILE . 25.3 p90 -142.09 156.06 45.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.928 0.394 . . . . 0.0 111.206 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.472 HD23 ' N ' ' A' ' 135' ' ' PHE . 5.6 tt -122.2 124.84 44.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.639 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.472 ' N ' HD23 ' A' ' 134' ' ' LEU . 86.8 t80 -92.02 141.41 28.64 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 122.04 0.924 . . . . 0.0 111.831 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.58 153.44 31.41 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 113.774 -1.557 . . . . 0.0 110.665 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 137' ' ' TYR . 1.1 m-30 -78.39 139.84 38.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.065 0.46 . . . . 0.0 110.632 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.167 -179.738 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.425 ' HB2' ' CG2' ' A' ' 51' ' ' THR . 40.9 m-85 . . . . . 0 CA--C 1.534 0.341 0 N-CA-C 110.602 -0.148 . . . . 0.0 110.602 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -140.24 129.88 24.31 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.788 0.328 . . . . 0.0 110.248 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.03 134.96 57.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.925 0.393 . . . . 0.0 111.199 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.024 HD13 HD12 ' A' ' 82' ' ' LEU . 7.3 tt -132.93 -48.07 0.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.758 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.448 ' O ' HG22 ' A' ' 50' ' ' ILE . . . -159.15 -173.38 27.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.516 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.63 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 40.9 m80 -142.79 160.34 40.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.838 0.351 . . . . 0.0 110.881 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.691 HD11 ' HB ' ' A' ' 50' ' ' ILE . 1.0 OUTLIER -127.2 119.72 27.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.763 179.788 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.2 t -104.39 121.78 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.172 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -90.27 133.01 35.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.804 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.2 mp -106.18 106.67 17.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.833 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.433 HD12 ' O ' ' A' ' 44' ' ' LYS . 1.4 mp -124.32 139.02 31.97 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.403 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 77.9 Cg_exo -50.49 -25.15 13.68 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.363 2.042 . . . . 0.0 112.507 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.45 -40.43 7.83 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.644 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.433 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -179.72 163.94 1.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.852 0.358 . . . . 0.0 110.947 179.836 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -94.41 174.06 7.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.08 129.65 8.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -107.22 124.94 50.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.6 t -116.86 137.53 50.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -88.27 122.27 31.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.691 ' HB ' HD11 ' A' ' 37' ' ' LEU . 3.7 tt -113.23 124.51 69.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.994 0.426 . . . . 0.0 111.182 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.425 ' CG2' ' HB2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -97.43 168.23 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.127 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.436 ' H ' ' ND2' ' A' ' 52' ' ' ASN . 0.1 OUTLIER -80.61 68.21 6.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.115 0.484 . . . . 0.0 110.469 179.422 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.572 ' C ' ' H ' ' A' ' 55' ' ' VAL . 19.6 ttt-85 -81.87 5.51 18.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.038 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.478 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 25.1 m-80 69.67 -35.96 0.33 Allowed 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -178.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.572 ' H ' ' C ' ' A' ' 53' ' ' ARG . 61.1 t -137.5 132.68 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.477 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.766 HG23 ' CB ' ' A' ' 65' ' ' ASP . 53.4 m -125.07 127.32 46.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.262 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -104.14 119.68 39.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.025 0.44 . . . . 0.0 111.188 -179.62 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.476 ' CG2' HD23 ' A' ' 68' ' ' LEU . 19.2 mt -107.84 122.29 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.026 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.84 -139.92 5.43 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.456 -0.878 . . . . 0.0 113.014 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.437 ' HB2' ' CG2' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -106.99 -32.84 7.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.321 . . . . 0.0 111.176 -179.586 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.616 ' HB2' HG23 ' A' ' 75' ' ' THR . 2.0 t -45.68 153.11 0.28 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.327 -179.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -75.3 -34.14 61.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.88 -19.25 62.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.2 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.406 ' HA ' ' CB ' ' A' ' 57' ' ' THR . 6.1 m -53.78 141.02 28.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.006 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.766 ' CB ' HG23 ' A' ' 56' ' ' THR . 3.3 m-20 -65.26 -53.81 38.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.138 0.494 . . . . 0.0 110.429 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.0 t -109.49 133.09 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.727 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.491 HD13 ' H ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -105.59 106.55 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.201 -179.861 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.778 HD21 ' CE2' ' A' ' 133' ' ' PHE . 0.2 OUTLIER -76.75 -152.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.031 179.615 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 1.2 m -39.62 -93.95 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 117.548 0.158 . . . . 0.0 111.285 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' A' ' 69' ' ' SER . 2.1 mm-40 155.99 -67.66 0.0 OUTLIER Pre-proline 0 N--CA 1.469 0.499 0 CA-C-O 120.644 0.259 . . . . 0.0 111.662 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 70' ' ' GLU . 39.8 Cg_endo -67.14 -16.24 48.4 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.555 2.17 . . . . 0.0 113.585 -178.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -137.05 34.99 2.57 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.677 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 73' ' ' ILE . 4.9 tp -117.75 126.01 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-O 120.995 0.426 . . . . 0.0 111.237 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.428 ' HB2' ' CG ' ' A' ' 77' ' ' HIS . 34.7 m -62.25 133.73 55.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.061 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.616 HG23 ' HB2' ' A' ' 61' ' ' SER . 91.4 m -54.73 -44.05 73.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.465 ' O ' ' C ' ' A' ' 77' ' ' HIS . 16.2 p90 -110.45 13.68 22.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.231 0.538 . . . . 0.0 111.54 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.465 ' C ' ' O ' ' A' ' 76' ' ' PHE . 1.6 t-160 -13.16 -65.58 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.571 -1.195 . . . . 0.0 113.063 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -154.19 160.11 41.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.12 0.486 . . . . 0.0 112.039 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -122.19 134.86 54.71 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.015 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.702 ' CE1' HG13 ' A' ' 97' ' ' VAL . 3.2 m-85 -119.52 131.1 55.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.74 0.305 . . . . 0.0 111.24 -179.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.478 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 11.2 m170 -97.16 116.84 30.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 0.0 111.013 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.024 HD12 HD13 ' A' ' 34' ' ' LEU . 2.3 mm? -106.1 109.68 21.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.835 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.512 HD23 ' N ' ' A' ' 84' ' ' GLN . 1.0 OUTLIER -122.1 139.44 53.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.984 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.512 ' N ' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -103.41 128.09 50.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.808 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -112.66 128.8 56.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -85.32 116.0 23.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.022 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.401 HG21 ' HE ' ' A' ' 92' ' ' ARG . 19.8 t -136.61 139.05 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.023 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -53.12 157.28 1.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.09 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 69.05 -67.58 0.21 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -136.8 154.79 50.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -82.98 157.43 22.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.834 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.401 ' HE ' HG21 ' A' ' 87' ' ' VAL . 5.4 mtm180 -115.9 125.8 53.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.609 ' HB3' HD21 ' A' ' 34' ' ' LEU . 11.3 m120 -113.55 128.4 56.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.1 mp -123.0 128.37 50.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.435 HD13 HD23 ' A' ' 119' ' ' LEU . 4.0 mp -118.34 141.05 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.417 ' HB3' ' HB2' ' A' ' 81' ' ' HIS . 15.7 t-20 -113.84 144.09 43.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.789 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.702 HG13 ' CE1' ' A' ' 80' ' ' PHE . 12.7 t -113.25 122.08 66.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.188 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.4 ' CD1' ' NE2' ' A' ' 81' ' ' HIS . 32.9 mt -126.68 121.01 57.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -111.79 133.83 53.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.05 37.21 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.6 m -128.85 176.73 7.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.01 30.7 7.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.47 -28.12 15.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.18 111.28 3.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.446 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.456 ' CG2' ' CE1' ' A' ' 127' ' ' PHE . 85.2 m -118.73 125.6 50.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.405 ' CE2' ' HG3' ' A' ' 111' ' ' ARG . 38.8 m-85 -121.04 114.98 22.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.8 HG22 HD22 ' A' ' 112' ' ' LEU . 2.8 tp -111.54 137.36 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.441 0.638 . . . . 0.0 111.239 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 62.54 26.33 15.65 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.834 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.66 9.64 70.02 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.801 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -134.23 151.53 51.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.884 0.373 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.405 ' HG3' ' CE2' ' A' ' 106' ' ' PHE . 0.9 OUTLIER -69.95 132.54 46.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.76 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.8 HD22 HG22 ' A' ' 107' ' ' ILE . 1.6 pt? -99.97 141.05 33.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.025 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 12.6 p -118.95 -39.54 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -59.89 130.74 48.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.788 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -72.66 -16.86 61.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -120.67 68.68 0.87 Allowed 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -78.88 139.12 38.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.626 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.553 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.3 tp -98.41 116.44 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-O 121.015 0.436 . . . . 0.0 111.345 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.435 HD23 HD13 ' A' ' 95' ' ' ILE . 6.8 tt -103.19 143.77 32.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.073 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.1 mtmm -135.62 178.13 7.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.72 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.423 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 7.8 p-10 -55.64 137.82 48.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.099 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 77.23 43.01 17.52 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.624 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -114.95 130.47 56.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.601 ' HD2' HD12 ' A' ' 134' ' ' LEU . 0.3 OUTLIER -104.45 114.9 29.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.787 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.5 ' HB ' HD13 ' A' ' 107' ' ' ILE . 2.9 tt -116.64 137.77 49.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.619 HG22 ' HB2' ' A' ' 132' ' ' SER . 21.2 t -116.57 127.61 74.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.196 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.456 ' CE1' ' CG2' ' A' ' 105' ' ' THR . 40.6 m-85 -119.29 130.65 55.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.763 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.485 ' O ' ' HB2' ' A' ' 129' ' ' LYS . . . 86.78 -7.45 79.81 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.741 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 128' ' ' GLY . 4.6 mtpp 74.71 32.16 0.89 Allowed 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.075 0.464 . . . . 0.0 110.358 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 53.2 p -161.49 -43.46 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.94 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . 0.415 ' HB3' HD12 ' A' ' 68' ' ' LEU . 6.8 m -88.01 110.97 21.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.841 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.619 ' HB2' HG22 ' A' ' 126' ' ' VAL . 33.4 t -124.17 138.44 54.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.181 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.778 ' CE2' HD21 ' A' ' 68' ' ' LEU . 15.5 p90 -142.09 156.16 45.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.601 HD12 ' HD2' ' A' ' 124' ' ' ARG . 8.9 tt -107.88 139.98 41.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.058 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -110.74 141.63 43.79 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.925 0.869 . . . . 0.0 111.596 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -154.56 160.75 41.69 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 113.899 -1.5 . . . . 0.0 110.955 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.423 ' CE2' ' HB3' ' A' ' 121' ' ' ASN . 3.4 m-85 -85.57 139.84 31.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.971 0.415 . . . . 0.0 110.749 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.63 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . . . . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.191 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.443 ' HB2' HG21 ' A' ' 51' ' ' THR . 88.5 m-85 . . . . . 0 CA--C 1.535 0.376 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.24 129.26 27.08 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-O 120.887 0.375 . . . . 0.0 110.37 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.98 145.08 47.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.071 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.626 HD11 ' HG2' ' A' ' 84' ' ' GLN . 0.6 OUTLIER -149.28 -45.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.834 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.718 ' C ' HG22 ' A' ' 50' ' ' ILE . . . -143.86 179.53 21.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.499 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.434 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 47.0 m80 -146.69 157.88 43.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.859 0.361 . . . . 0.0 110.637 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mt -121.63 115.92 23.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.043 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.95 121.74 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.004 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -90.0 116.73 28.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.468 ' O ' HD13 ' A' ' 41' ' ' ILE . 5.3 mp -70.61 106.69 3.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.811 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.468 HD13 ' O ' ' A' ' 40' ' ' LEU . 30.8 mm -124.11 138.74 31.25 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.967 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.422 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 89.9 Cg_exo -44.33 -29.26 2.93 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.513 2.142 . . . . 0.0 112.603 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.34 -122.62 3.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.302 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.18 138.52 38.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.854 0.359 . . . . 0.0 111.053 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -89.81 150.01 22.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.64 108.26 17.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -105.77 126.75 52.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.1 t -119.76 151.08 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.163 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -101.37 133.05 46.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.718 HG22 ' C ' ' A' ' 35' ' ' GLY . 1.7 tt -114.53 132.17 64.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.443 HG21 ' HB2' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -105.7 168.39 9.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.225 -179.565 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.567 ' HB3' HD12 ' A' ' 34' ' ' LEU . 6.7 p30 -83.67 68.53 9.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.289 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.565 ' C ' ' H ' ' A' ' 55' ' ' VAL . 18.1 ttt180 -88.49 4.77 45.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.062 -179.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.424 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 1.2 t-20 71.56 -37.49 0.39 Allowed 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -178.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.565 ' H ' ' C ' ' A' ' 53' ' ' ARG . 68.7 t -137.3 137.83 45.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.581 179.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.762 HG23 ' HB3' ' A' ' 65' ' ' ASP . 31.7 m -125.43 129.72 50.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.952 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.69 132.81 49.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.858 0.361 . . . . 0.0 110.571 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.674 HD11 ' CD2' ' A' ' 80' ' ' PHE . 40.2 mt -116.69 128.37 74.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.698 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 161.62 -135.31 3.87 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.127 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.469 ' HG3' ' HG2' ' A' ' 70' ' ' GLU . 5.2 ttp85 -115.46 -27.28 7.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.65 0.262 . . . . 0.0 110.999 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.649 ' HB2' HG23 ' A' ' 75' ' ' THR . 0.1 OUTLIER -46.37 122.26 3.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.868 0.366 . . . . 0.0 110.925 -179.831 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -55.02 -27.0 40.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.088 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -75.5 -22.97 56.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.067 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.2 m -54.99 163.1 1.09 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.762 ' HB3' HG23 ' A' ' 56' ' ' THR . 9.7 t70 -82.23 -49.44 10.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.022 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 58' ' ' ILE . 21.6 t -124.96 133.11 70.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.379 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -101.18 122.3 53.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.727 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.709 HD21 ' CE1' ' A' ' 133' ' ' PHE . 7.6 mt -82.74 -94.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.78 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.0 t -91.8 -108.39 0.1 Allowed 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.614 ' CB ' ' HD3' ' A' ' 71' ' ' PRO . 1.2 mt-10 168.26 -65.41 0.0 OUTLIER Pre-proline 0 CA--C 1.531 0.224 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 179.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.614 ' HD3' ' CB ' ' A' ' 70' ' ' GLU . 35.3 Cg_exo -60.35 -40.0 62.19 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 121.865 1.71 . . . . 0.0 113.075 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -125.5 28.9 6.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.456 ' CG2' ' HB2' ' A' ' 60' ' ' ARG . 7.0 tp -98.25 120.05 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.01 0.433 . . . . 0.0 111.124 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.4 m -59.14 133.49 56.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.215 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.649 HG23 ' HB2' ' A' ' 61' ' ' SER . 93.5 m -63.67 -37.09 86.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.681 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.453 ' O ' ' C ' ' A' ' 77' ' ' HIS . 5.5 m-85 -106.22 13.86 28.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.247 0.546 . . . . 0.0 111.329 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.453 ' C ' ' O ' ' A' ' 76' ' ' PHE . 2.7 t-160 -19.93 -70.03 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.616 -1.175 . . . . 0.0 112.92 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.68 164.1 38.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.966 0.413 . . . . 0.0 111.946 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 56' ' ' THR . 10.1 mt-10 -126.47 134.8 50.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.684 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.674 ' CD2' HD11 ' A' ' 58' ' ' ILE . 14.4 m-85 -119.45 125.26 48.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.628 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.424 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 8.1 m-70 -94.86 116.26 28.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.919 0.39 . . . . 0.0 111.385 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.405 HD21 HD13 ' A' ' 34' ' ' LEU . 1.7 tt -106.67 109.43 21.34 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.711 179.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.572 HD23 ' H ' ' A' ' 84' ' ' GLN . 0.8 OUTLIER -122.27 140.18 52.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.055 -179.844 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.626 ' HG2' HD11 ' A' ' 34' ' ' LEU . 11.6 mt-30 -99.7 124.98 45.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.2 120.62 15.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -107.13 124.22 49.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.035 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.5 m -124.1 139.09 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.066 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 t0 74.51 -59.21 0.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.057 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -174.8 -43.92 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -79.61 138.04 37.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.633 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -82.95 127.68 33.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.076 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -117.19 138.68 51.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.752 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.447 ' C ' HD12 ' A' ' 94' ' ' LEU . 21.1 m-80 -114.05 131.41 56.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.942 0.401 . . . . 0.0 111.104 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.551 HD12 ' N ' ' A' ' 94' ' ' LEU . 5.2 mp -117.5 138.03 52.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.633 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 95' ' ' ILE . 4.2 mp -117.24 141.33 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.905 0.383 . . . . 0.0 111.328 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.76 132.74 55.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.821 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.673 HG13 ' CE1' ' A' ' 80' ' ' PHE . 3.3 t -95.87 128.27 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.249 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 22.3 mt -130.12 120.94 50.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.887 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -115.95 133.23 56.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.002 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.36 33.51 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.1 m -118.42 170.68 8.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.96 31.95 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.51 -40.64 7.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.217 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 112.96 109.23 2.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.459 HG21 ' CE1' ' A' ' 127' ' ' PHE . 58.6 m -112.98 125.63 54.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.752 0.311 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -120.22 123.49 43.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.451 HG22 HD11 ' A' ' 112' ' ' LEU . 3.2 tp -122.43 137.23 56.67 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 CA-C-O 121.557 0.694 . . . . 0.0 111.339 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 59.84 28.38 17.85 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.846 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.63 11.76 73.17 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.839 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -134.12 136.86 44.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.717 0.294 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.96 142.4 57.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.515 ' H ' HD12 ' A' ' 112' ' ' LEU . 4.7 mp -76.95 142.25 40.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 11.3 m -136.53 31.67 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.03 178.83 7.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -108.37 -44.52 4.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.18 74.34 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.768 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.401 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -84.12 139.27 32.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.526 ' O ' HG23 ' A' ' 118' ' ' ILE . 7.7 tp -98.56 119.17 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.558 HD21 ' HD2' ' A' ' 135' ' ' PHE . 8.7 tt -103.13 136.17 43.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.153 0.502 . . . . 0.0 111.642 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt -119.28 126.53 51.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.588 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.659 ' HB3' ' HA ' ' A' ' 136' ' ' LYS . 1.1 m120 -50.87 148.05 4.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.239 0.543 . . . . 0.0 111.635 -179.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 135' ' ' PHE . . . 93.2 40.92 4.7 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.748 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.607 ' C ' HD22 ' A' ' 134' ' ' LEU . 21.1 m-20 -142.48 162.46 35.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.878 0.37 . . . . 0.0 110.939 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.454 ' HG2' HD23 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -95.08 123.06 38.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 -179.843 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.3 mt -114.85 121.92 67.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.961 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 38.6 t -109.47 124.0 65.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.036 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.459 ' CE1' HG21 ' A' ' 105' ' ' THR . 11.1 m-85 -122.19 146.38 47.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.758 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 80.58 -65.95 3.79 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.326 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 170.38 -33.85 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.789 0.328 . . . . 0.0 111.043 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 93.5 p -119.65 -34.94 3.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.493 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . 0.676 ' HB3' HD22 ' A' ' 68' ' ' LEU . 33.3 m -54.37 104.78 0.12 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.994 0.426 . . . . 0.0 111.312 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 68.1 m -124.5 127.32 47.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.868 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.709 ' CE1' HD21 ' A' ' 68' ' ' LEU . 5.0 p90 -142.22 155.58 45.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.197 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.607 HD22 ' C ' ' A' ' 123' ' ' ASP . 0.3 OUTLIER -109.14 119.57 39.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.529 179.428 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.558 ' HD2' HD21 ' A' ' 119' ' ' LEU . 22.9 t80 -91.62 141.44 28.71 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 121.485 0.659 . . . . 0.0 110.376 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.659 ' HA ' ' HB3' ' A' ' 121' ' ' ASN . 0.3 OUTLIER -155.09 153.2 30.52 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.543 -179.317 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 121' ' ' ASN . 86.4 m-85 -70.98 141.0 51.04 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.139 0.495 . . . . 0.0 110.146 178.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 34' ' ' LEU . . . . . . . . 0 C--N 1.318 -0.803 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.233 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.414 ' HB2' ' CG2' ' A' ' 51' ' ' THR . 5.2 m-85 . . . . . 0 CA--C 1.535 0.394 0 N-CA-C 110.758 -0.09 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.23 128.87 22.98 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.773 0.321 . . . . 0.0 110.81 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.41 114.97 6.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.821 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -118.46 -39.77 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.048 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.533 ' O ' HG22 ' A' ' 50' ' ' ILE . . . -153.52 176.13 31.64 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.55 -0.834 . . . . 0.0 112.729 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.506 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 27.0 m80 -138.54 158.0 45.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.614 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.48 HD23 ' HB2' ' A' ' 135' ' ' PHE . 3.5 mt -119.98 119.52 33.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.9 121.83 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -90.1 130.09 36.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mt -99.01 106.82 19.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.79 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.0 mp -124.07 132.61 24.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.056 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -57.24 85.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.299 2.0 . . . . 0.0 112.275 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.75 -28.69 1.45 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.553 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.37 149.87 0.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.8 0.333 . . . . 0.0 110.933 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.87 165.05 11.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.62 122.64 14.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.02 131.54 40.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.7 t -119.91 141.25 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.9 123.25 39.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.821 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.533 HG22 ' O ' ' A' ' 35' ' ' GLY . 12.2 tt -116.07 132.06 66.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.215 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.414 ' CG2' ' HB2' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -98.03 168.19 10.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.783 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.438 HD21 HD23 ' A' ' 34' ' ' LEU . 55.4 m-80 -59.5 -91.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.484 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.539 ' C ' ' H ' ' A' ' 55' ' ' VAL . 10.0 ttt-85 73.86 -4.29 2.3 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 179.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.67 ' OD1' HD12 ' A' ' 83' ' ' LEU . 2.5 t-20 71.31 -36.02 0.35 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.539 ' H ' ' C ' ' A' ' 53' ' ' ARG . 60.1 t -135.55 142.64 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.723 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.712 HG23 ' CB ' ' A' ' 65' ' ' ASP . 89.5 m -125.07 129.49 50.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.71 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.2 OUTLIER -103.96 140.1 38.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.951 0.405 . . . . 0.0 110.802 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 34.5 mt -130.18 124.75 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.112 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.98 -140.12 5.79 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.793 ' CG ' HG22 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -110.25 -20.43 12.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.673 0.273 . . . . 0.0 111.082 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.694 ' HB2' HG23 ' A' ' 75' ' ' THR . 1.4 t -55.23 154.09 6.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.862 0.363 . . . . 0.0 110.985 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -36.2 61.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.98 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 m -70.01 -21.8 63.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.26 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 4.0 m -52.68 151.9 4.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.072 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.712 ' CB ' HG23 ' A' ' 56' ' ' THR . 0.9 OUTLIER -68.97 -55.97 9.27 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.025 0.44 . . . . 0.0 110.754 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.436 HG21 ' CD1' ' A' ' 37' ' ' LEU . 26.0 t -119.56 127.46 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.067 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.1 pp -92.08 104.86 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.95 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.678 HD22 ' SG ' ' A' ' 131' ' ' CYS . 13.4 mt -56.7 166.6 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.016 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.5 m -94.0 51.13 1.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.58 ' HB2' HD13 ' A' ' 73' ' ' ILE . 1.0 OUTLIER -130.92 126.2 21.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.607 179.693 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.05 -13.87 41.43 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.458 2.106 . . . . 0.0 112.725 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -138.44 45.41 2.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.879 0.371 . . . . 0.0 111.08 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.793 HG22 ' CG ' ' A' ' 60' ' ' ARG . 0.6 OUTLIER -83.46 147.78 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.86 132.13 53.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.004 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.694 HG23 ' HB2' ' A' ' 61' ' ' SER . 93.5 m -63.53 -40.45 97.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.809 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.457 ' O ' ' C ' ' A' ' 77' ' ' HIS . 6.7 m-85 -102.01 14.05 33.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.37 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.457 ' C ' ' O ' ' A' ' 76' ' ' PHE . 4.6 t60 -19.34 -69.41 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.745 -1.116 . . . . 0.0 112.792 -179.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -145.31 162.59 36.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.031 0.444 . . . . 0.0 111.816 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.41 122.43 17.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.418 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.829 ' CZ ' HG13 ' A' ' 97' ' ' VAL . 6.1 m-85 -119.27 131.2 55.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.618 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 55' ' ' VAL . 11.9 m170 -94.69 116.26 28.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.929 0.395 . . . . 0.0 111.424 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.822 HD13 HD11 ' A' ' 95' ' ' ILE . 10.3 tp -106.62 109.56 21.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.238 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.67 HD12 ' OD1' ' A' ' 54' ' ' ASN . 0.6 OUTLIER -122.35 140.09 53.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 -179.833 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -98.02 120.93 39.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.69 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.44 121.67 44.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -98.09 115.99 29.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.802 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.8 p -140.08 128.11 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.004 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.96 -165.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.761 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -49.04 -62.3 1.6 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.315 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -82.7 -174.14 5.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -131.86 141.77 49.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.0 140.29 49.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.603 ' C ' HD22 ' A' ' 94' ' ' LEU . 7.9 m120 -114.0 149.45 35.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.608 HD12 HD11 ' A' ' 118' ' ' ILE . 4.4 mm? -128.27 136.93 51.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.708 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.822 HD11 HD13 ' A' ' 82' ' ' LEU . 17.2 mm -118.75 141.2 39.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.225 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.01 144.14 44.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.829 HG13 ' CZ ' ' A' ' 80' ' ' PHE . 25.9 t -111.76 130.47 65.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.388 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 12.7 mt -130.1 120.83 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.64 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.453 ' OD2' HD23 ' A' ' 112' ' ' LEU . 0.9 OUTLIER -94.09 139.05 31.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.976 -179.764 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -176.1 39.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.36 179.77 6.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 40.5 mtp85 -120.08 28.82 7.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.818 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -149.83 -62.0 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.173 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 166.17 135.73 1.9 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.635 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.543 HG23 ' CD1' ' A' ' 127' ' ' PHE . 90.1 m -125.4 122.88 38.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.749 0.309 . . . . 0.0 110.714 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.428 ' CE2' ' HD3' ' A' ' 111' ' ' ARG . 18.3 m-85 -121.09 117.11 26.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.001 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.718 HG22 HD21 ' A' ' 112' ' ' LEU . 2.8 tp -122.96 137.23 57.14 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 CA-C-O 121.498 0.666 . . . . 0.0 111.25 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 60.33 25.76 15.26 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.67 13.1 74.68 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.86 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -131.75 141.14 49.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.428 ' HD3' ' CE2' ' A' ' 106' ' ' PHE . 1.6 tpt85 -75.15 143.01 43.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.718 HD21 HG22 ' A' ' 107' ' ' ILE . 3.3 mm? -70.5 130.12 41.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.77 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 6.7 m -141.03 31.26 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -172.23 155.58 3.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -97.24 168.41 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.6 t0 59.97 55.29 3.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.817 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -84.0 139.35 32.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.608 HD11 HD12 ' A' ' 94' ' ' LEU . 8.5 tp -98.34 117.21 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-O 121.045 0.45 . . . . 0.0 110.96 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.845 HD23 ' N ' ' A' ' 120' ' ' LYS . 2.3 tt -103.11 137.28 41.49 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.251 0.548 . . . . 0.0 111.565 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.845 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.8 OUTLIER -117.85 126.98 53.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.406 178.721 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.562 ' HB2' ' CE2' ' A' ' 137' ' ' TYR . 2.0 m-80 -53.87 131.5 40.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.618 -179.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 112.82 41.18 1.02 Allowed Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.314 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -139.85 168.61 19.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.8 0.334 . . . . 0.0 110.974 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.515 ' HE ' HD12 ' A' ' 134' ' ' LEU . 0.3 OUTLIER -97.89 124.61 42.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.52 HG12 HD13 ' A' ' 107' ' ' ILE . 4.1 mt -114.78 122.93 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.974 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 35.0 t -118.42 129.41 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.543 ' CD1' HG23 ' A' ' 105' ' ' THR . 58.7 m-85 -120.06 128.11 53.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.813 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 83.56 -67.54 3.71 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.285 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 168.27 -31.78 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.825 0.345 . . . . 0.0 111.106 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 18.3 p -98.75 -54.68 2.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.54 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . 0.678 ' SG ' HD22 ' A' ' 68' ' ' LEU . 78.9 m -53.26 102.36 0.05 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.076 0.465 . . . . 0.0 111.641 -179.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.5 m -124.94 114.03 18.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.922 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -142.11 155.54 45.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.859 0.361 . . . . 0.0 111.286 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.515 HD12 ' HE ' ' A' ' 124' ' ' ARG . 2.0 tt -112.27 125.57 54.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.732 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.48 ' HB2' HD23 ' A' ' 37' ' ' LEU . 14.6 t80 -96.01 140.64 30.46 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 121.797 0.808 . . . . 0.0 111.027 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.507 ' HA ' ' HB3' ' A' ' 121' ' ' ASN . 8.4 tttt -155.22 155.98 34.83 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 114.026 -1.443 . . . . 0.0 111.424 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 121' ' ' ASN . 38.5 m-85 -69.15 141.21 54.65 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.188 0.518 . . . . 0.0 110.491 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.506 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . . . . . . . . 0 C--N 1.316 -0.88 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.197 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 . . . . . 0 CA--C 1.537 0.445 0 CA-C-O 120.202 0.049 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.517 ' N ' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.43 138.5 34.77 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-O 120.835 0.35 . . . . 0.0 110.56 179.697 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.2 t -59.86 145.02 47.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.422 HD11 ' HG3' ' A' ' 84' ' ' GLN . 0.4 OUTLIER -148.6 -46.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.615 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.593 ' O ' ' HB ' ' A' ' 50' ' ' ILE . . . -164.13 135.08 3.6 Favored Glycine 0 C--O 1.227 -0.294 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.872 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.428 ' CG ' ' HA ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -108.81 159.46 16.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.114 0.483 . . . . 0.0 111.187 -179.481 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.559 HD12 ' HB ' ' A' ' 48' ' ' VAL . 0.2 OUTLIER -127.54 125.13 39.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.433 179.498 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.3 t -101.62 127.96 54.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.333 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -87.86 134.54 33.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.749 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 40' ' ' LEU . 3.9 mm? -90.22 106.45 18.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.83 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.549 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 2.1 mp -124.6 141.17 37.15 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.687 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.549 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 56.8 Cg_endo -73.24 -39.29 2.2 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.107 1.871 . . . . 0.0 112.316 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.57 -32.61 67.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.39 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.0 ptpp? 173.5 118.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.786 0.327 . . . . 0.0 110.809 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.471 ' HA ' HD12 ' A' ' 41' ' ' ILE . 4.3 mp0 -56.71 169.92 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -150.24 132.47 15.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.806 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.97 130.44 56.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.018 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.559 ' HB ' HD12 ' A' ' 37' ' ' LEU . 25.0 t -118.56 151.08 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.428 ' HA ' ' CG ' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -104.8 127.7 52.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.67 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.772 HG21 HD13 ' A' ' 82' ' ' LEU . 13.6 mm -111.3 125.9 68.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.136 0.493 . . . . 0.0 111.1 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.517 HG22 ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -96.94 168.1 10.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.583 179.872 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -80.27 59.6 3.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.147 0.499 . . . . 0.0 110.223 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.566 ' C ' ' H ' ' A' ' 55' ' ' VAL . 10.1 ttt-85 -80.97 0.15 36.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.813 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.439 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 0.4 OUTLIER 71.88 -34.46 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -178.727 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.566 ' H ' ' C ' ' A' ' 53' ' ' ARG . 71.3 t -137.41 135.17 46.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.762 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.698 HG23 ' HB3' ' A' ' 65' ' ' ASP . 51.6 m -125.28 130.38 51.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.021 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.411 ' H ' ' CB ' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -103.74 120.22 40.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.983 0.42 . . . . 0.0 110.804 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.959 HG22 HD11 ' A' ' 68' ' ' LEU . 4.3 mp -107.92 128.43 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.029 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.75 -143.44 8.2 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.427 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.74 ' CG ' HG22 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -112.21 -17.83 12.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.607 0.241 . . . . 0.0 111.264 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.613 ' HB2' HG23 ' A' ' 75' ' ' THR . 0.4 OUTLIER -54.92 159.97 2.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.82 0.343 . . . . 0.0 111.041 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.56 -38.32 29.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -70.0 -21.56 63.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.254 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 21.7 m -53.64 141.28 26.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.094 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.698 ' HB3' HG23 ' A' ' 56' ' ' THR . 62.4 t0 -64.19 -47.93 77.86 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.903 0.382 . . . . 0.0 110.752 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.411 HG23 ' CG2' ' A' ' 56' ' ' THR . 21.5 t -117.83 133.09 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.243 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.7 pt -106.55 122.45 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.959 HD11 HG22 ' A' ' 58' ' ' ILE . 4.1 mp -70.08 -177.13 1.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.71 34.6 4.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.156 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.12 129.6 25.21 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.682 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.07 -13.98 41.8 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.474 2.116 . . . . 0.0 112.69 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -130.84 41.33 3.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.713 0.292 . . . . 0.0 111.14 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.743 ' CD1' HD22 ' A' ' 68' ' ' LEU . 2.4 tp -85.01 148.02 5.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.7 t -58.7 131.1 49.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.98 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.613 HG23 ' HB2' ' A' ' 61' ' ' SER . 74.3 m -64.91 -44.06 90.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.764 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.469 ' O ' ' C ' ' A' ' 77' ' ' HIS . 19.8 m-85 -100.6 13.76 33.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.273 0.558 . . . . 0.0 111.294 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.469 ' C ' ' O ' ' A' ' 76' ' ' PHE . 2.6 t-160 -14.69 -68.29 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.513 -1.221 . . . . 0.0 112.858 -179.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.85 ' HB3' ' CE2' ' A' ' 127' ' ' PHE . . . -162.39 164.02 27.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.969 0.414 . . . . 0.0 111.659 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.418 ' HG3' HD13 ' A' ' 98' ' ' ILE . 17.8 pt-20 -120.66 142.49 49.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.52 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.886 ' CE1' HG13 ' A' ' 97' ' ' VAL . 1.0 OUTLIER -119.53 126.23 50.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.871 -179.756 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.439 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 6.9 m-70 -94.84 116.13 28.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.893 0.378 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.772 HD13 HG21 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -106.74 109.91 21.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.788 179.654 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.3 mt -117.67 137.07 52.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.422 ' HG3' HD11 ' A' ' 34' ' ' LEU . 4.0 tt0 -108.86 125.43 51.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -134.52 125.57 27.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -94.26 115.94 28.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.8 m -122.68 122.85 67.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.03 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 61.21 -173.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.728 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -47.65 -29.28 2.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.221 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -97.93 -173.38 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -131.16 142.14 50.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.616 ' NH1' HD21 ' A' ' 94' ' ' LEU . 48.6 ttp85 -117.04 127.5 54.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.763 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.793 ' C ' HD22 ' A' ' 94' ' ' LEU . 3.4 m-80 -111.03 138.98 46.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.038 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.793 HD22 ' C ' ' A' ' 93' ' ' ASN . 3.9 mm? -132.05 138.96 48.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.633 HD13 HD23 ' A' ' 119' ' ' LEU . 2.5 mp -124.9 141.14 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.784 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.78 131.49 56.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.986 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.886 HG13 ' CE1' ' A' ' 80' ' ' PHE . 21.6 t -105.56 130.23 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.156 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.544 HD12 ' N ' ' A' ' 98' ' ' ILE . 3.5 mp -128.37 124.92 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.083 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -87.75 121.73 30.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.46 -23.04 53.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.039 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m 67.44 84.83 0.15 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.16 -48.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.797 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -118.22 -39.43 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.079 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 135.0 119.75 1.97 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 26.5 m -126.27 123.62 38.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.438 ' CE2' ' HB3' ' A' ' 111' ' ' ARG . 6.1 m-85 -120.94 137.21 54.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.596 HD12 ' H ' ' A' ' 108' ' ' ASN . 2.8 tp -123.01 137.19 57.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.466 0.651 . . . . 0.0 111.293 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.596 ' H ' HD12 ' A' ' 107' ' ' ILE . 13.8 m120 64.92 28.09 12.69 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.715 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.62 8.9 68.37 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.94 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -134.11 148.07 50.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.831 0.348 . . . . 0.0 110.959 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.438 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 5.5 ptm180 -66.76 130.69 43.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.8 pp -87.16 137.91 31.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.448 HG13 ' N ' ' A' ' 114' ' ' LYS . 12.2 p -121.8 -42.85 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.448 ' N ' HG13 ' A' ' 113' ' ' VAL . 27.1 mtmm -67.23 155.99 37.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -92.59 154.33 18.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.4 t0 60.02 73.19 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.818 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -83.23 137.73 33.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.541 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.0 tp -98.74 118.31 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.294 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.666 HD13 ' HE2' ' A' ' 80' ' ' PHE . 5.4 tt -103.18 135.62 44.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -122.73 171.03 9.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.425 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 4.8 p-10 -59.53 148.05 34.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.993 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 65.99 38.67 94.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.527 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -112.19 141.88 45.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.817 0.342 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.521 ' O ' HD12 ' A' ' 107' ' ' ILE . 8.3 ttm-85 -95.29 127.95 41.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.965 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.561 HD11 HD11 ' A' ' 119' ' ' LEU . 3.3 mp -124.91 138.05 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.1 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.7 t -122.89 123.9 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.85 ' CE2' ' HB3' ' A' ' 78' ' ' ALA . 3.3 m-85 -115.7 112.02 21.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 106.22 -74.04 0.22 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.508 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -178.54 -37.96 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.704 0.287 . . . . 0.0 111.084 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.0 p -115.0 -36.0 4.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.358 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 15.0 m -60.14 107.4 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.93 0.395 . . . . 0.0 111.071 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.7 p -124.19 138.48 54.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.698 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 133' ' ' PHE . 2.3 p90 -142.14 156.09 45.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.956 0.408 . . . . 0.0 111.324 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 8.8 tt -117.09 127.37 54.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.579 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.41 ' CZ ' ' HA3' ' A' ' 35' ' ' GLY . 59.1 t80 -99.25 141.59 31.83 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 122.015 0.912 . . . . 0.0 112.025 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt -154.54 146.73 23.76 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 113.732 -1.576 . . . . 0.0 110.677 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.489 ' HE1' HD11 ' A' ' 95' ' ' ILE . 3.7 m-85 -72.59 139.82 47.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.93 0.395 . . . . 0.0 110.908 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.055 -179.95 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 . . . . . 0 CA--C 1.536 0.421 0 N-CA-C 110.632 -0.136 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.464 ' N ' HG22 ' A' ' 51' ' ' THR . 0.1 OUTLIER -140.14 138.82 35.54 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.957 0.408 . . . . 0.0 110.638 179.687 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.0 t -71.9 133.26 45.31 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.021 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -131.17 -43.05 1.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.914 179.8 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.48 ' C ' HG22 ' A' ' 50' ' ' ILE . . . -154.35 -178.46 28.76 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.511 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.435 ' CD2' ' HB3' ' A' ' 49' ' ' GLU . 22.1 m80 -144.5 154.73 43.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.933 0.396 . . . . 0.0 110.853 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.2 119.42 33.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.723 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.677 HG22 ' HG3' ' A' ' 47' ' ' LYS . 29.9 t -98.58 122.43 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.084 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -88.18 117.67 27.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.817 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.1 mt -84.81 106.77 16.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.777 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.552 HG23 ' HD2' ' A' ' 42' ' ' PRO . 4.2 mt -124.11 141.04 36.13 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.552 ' HD2' HG23 ' A' ' 41' ' ' ILE . 50.5 Cg_endo -72.28 81.07 1.52 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.12 1.88 . . . . 0.0 112.074 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.44 -19.08 1.32 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.39 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.94 169.88 1.94 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.738 0.304 . . . . 0.0 110.58 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -132.79 154.39 50.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 111.197 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -135.92 124.13 23.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.677 ' HG3' HG22 ' A' ' 38' ' ' VAL . 9.0 ttpt -112.97 125.37 54.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.8 t -120.59 137.08 55.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.435 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 0.3 OUTLIER -80.81 141.96 34.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.501 HD11 HG21 ' A' ' 56' ' ' THR . 0.7 OUTLIER -112.61 127.15 69.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.22 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.763 ' O ' HD23 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -96.84 168.13 10.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.924 -179.811 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -92.39 72.37 5.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.385 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.573 ' C ' ' H ' ' A' ' 55' ' ' VAL . 0.5 OUTLIER -99.37 13.59 32.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.681 -179.711 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.491 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 5.8 m-20 68.56 -30.38 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.134 -0.226 . . . . 0.0 110.546 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.573 ' H ' ' C ' ' A' ' 53' ' ' ARG . 58.1 t -137.44 135.13 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-O 121.026 0.441 . . . . 0.0 111.808 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.784 HG23 ' CB ' ' A' ' 65' ' ' ASP . 53.4 m -125.54 130.79 52.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.9 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -105.65 141.34 37.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.087 0.47 . . . . 0.0 111.53 -179.394 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.473 HD13 ' CD1' ' A' ' 80' ' ' PHE . 4.6 mp -132.27 126.2 55.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.011 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.14 -130.08 2.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.977 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.442 ' HB2' ' CG2' ' A' ' 73' ' ' ILE . 0.1 OUTLIER -112.06 -32.34 6.6 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.727 0.299 . . . . 0.0 111.147 -179.647 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.62 ' HB2' HG23 ' A' ' 75' ' ' THR . 0.3 OUTLIER -42.33 147.17 0.27 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.561 -179.489 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.6 ttm-85 -72.93 -32.52 65.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.9 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.91 -16.09 58.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.358 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 11.3 m -53.11 151.05 5.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.74 0.305 . . . . 0.0 111.098 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.784 ' CB ' HG23 ' A' ' 56' ' ' THR . 2.3 m-20 -68.94 -55.87 9.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.003 0.43 . . . . 0.0 110.781 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -124.37 126.26 71.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.351 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.0 pt -98.49 122.55 50.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.925 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.588 HD12 HD11 ' A' ' 73' ' ' ILE . 40.1 mt -84.35 -120.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 2.2 m -56.99 -97.26 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 69' ' ' SER . 6.5 mm-40 154.71 -66.95 0.0 OUTLIER Pre-proline 0 N--CA 1.468 0.438 0 C-N-CA 122.426 0.29 . . . . 0.0 111.077 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 70' ' ' GLU . 41.7 Cg_endo -67.51 -18.93 49.2 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.436 2.091 . . . . 0.0 113.41 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -135.88 25.23 3.35 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.588 HD11 HD12 ' A' ' 68' ' ' LEU . 5.4 tp -104.94 124.74 59.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.077 0.465 . . . . 0.0 111.501 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.418 ' O ' ' HB2' ' A' ' 77' ' ' HIS . 4.8 m -65.99 137.2 56.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.209 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.62 HG23 ' HB2' ' A' ' 61' ' ' SER . 91.1 m -66.43 -39.39 88.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.843 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.421 ' O ' ' C ' ' A' ' 77' ' ' HIS . 6.1 m-85 -97.19 13.89 27.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.191 0.519 . . . . 0.0 111.69 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.447 ' CE1' ' HB3' ' A' ' 127' ' ' PHE . 1.7 t-160 -26.47 -69.01 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.826 -1.079 . . . . 0.0 112.585 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.498 ' HB2' ' CE1' ' A' ' 127' ' ' PHE . . . -155.96 159.39 39.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.191 0.52 . . . . 0.0 112.161 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.41 133.05 50.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.937 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.631 ' CE2' HG22 ' A' ' 97' ' ' VAL . 7.6 m-85 -119.36 128.41 54.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.808 0.337 . . . . 0.0 111.064 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.641 ' CD2' HD11 ' A' ' 98' ' ' ILE . 33.8 m-70 -95.03 116.65 28.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.763 HD23 ' O ' ' A' ' 51' ' ' THR . 27.8 tp -106.12 109.59 21.58 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.943 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.409 HD22 ' C ' ' A' ' 82' ' ' LEU . 3.9 mm? -122.26 140.02 53.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.009 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.39 120.97 39.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.787 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.03 150.51 44.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -107.11 116.53 32.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.558 HG21 ' HD3' ' A' ' 92' ' ' ARG . 6.3 m -113.35 120.61 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.028 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.84 -61.53 0.47 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -166.47 -42.53 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.809 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -68.18 -171.06 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.686 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -126.88 127.89 45.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.999 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.558 ' HD3' HG21 ' A' ' 87' ' ' VAL . 2.5 ttp180 -112.21 121.65 45.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.804 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.502 ' C ' HD12 ' A' ' 94' ' ' LEU . 6.5 m120 -108.58 130.28 55.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.088 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.502 HD12 ' C ' ' A' ' 93' ' ' ASN . 7.2 mp -132.1 136.67 47.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.571 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.569 ' HB ' HD22 ' A' ' 119' ' ' LEU . 4.2 mp -117.77 140.83 39.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.885 0.374 . . . . 0.0 111.372 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.66 124.52 52.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.638 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.631 HG22 ' CE2' ' A' ' 80' ' ' PHE . 13.9 t -96.6 135.28 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.929 0.395 . . . . 0.0 111.606 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.641 HD11 ' CD2' ' A' ' 81' ' ' HIS . 11.9 mt -121.82 120.76 62.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.605 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.64 117.72 35.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.05 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -147.58 53.74 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.819 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -139.5 173.77 11.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.62 -23.64 9.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.41 -34.43 48.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.72 0.295 . . . . 0.0 111.493 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 113.82 126.18 4.34 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.556 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.469 ' CG2' ' CE1' ' A' ' 127' ' ' PHE . 66.5 m -132.08 123.16 26.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.777 0.322 . . . . 0.0 110.836 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.426 ' CE2' ' HB3' ' A' ' 111' ' ' ARG . 61.7 m-85 -121.16 124.15 44.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.726 HG21 HD12 ' A' ' 112' ' ' LEU . 0.7 OUTLIER -122.99 137.07 57.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.441 0.638 . . . . 0.0 111.211 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.456 ' N ' HG13 ' A' ' 107' ' ' ILE . 10.4 m120 60.04 28.42 17.96 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.669 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.67 13.05 74.63 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.9 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -131.57 137.64 48.53 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.866 0.365 . . . . 0.0 110.542 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.426 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -65.28 132.42 49.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.726 HD12 HG21 ' A' ' 107' ' ' ILE . 2.3 tt -89.11 133.88 34.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.981 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.416 HG23 ' N ' ' A' ' 114' ' ' LYS . 5.7 m -138.24 -46.77 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.416 ' N ' HG23 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -59.62 158.8 9.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.985 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.75 158.08 15.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 38.4 t70 59.67 64.06 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -84.07 138.4 33.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.075 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.485 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.3 tp -98.66 121.78 49.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.569 HD22 ' HB ' ' A' ' 95' ' ' ILE . 6.4 tt -103.15 136.83 42.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.171 0.51 . . . . 0.0 111.8 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -118.68 155.77 30.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.357 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.603 ' HB2' ' CE2' ' A' ' 137' ' ' TYR . 1.7 m-80 -77.09 148.23 36.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.152 0.501 . . . . 0.0 111.542 -178.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 87.63 37.56 7.98 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.476 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.71 ' O ' HD22 ' A' ' 134' ' ' LEU . 0.8 OUTLIER -132.54 164.14 27.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.951 0.405 . . . . 0.0 111.269 -179.491 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -100.91 127.12 47.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.956 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.426 ' HB ' ' CZ ' ' A' ' 133' ' ' PHE . 3.1 mp -118.4 121.93 68.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 20.5 t -111.56 123.92 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.305 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.498 ' CE1' ' HB2' ' A' ' 78' ' ' ALA . 9.8 m-85 -121.09 132.24 54.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.817 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 92.72 -69.96 1.65 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.275 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.2 -34.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.628 0.251 . . . . 0.0 111.311 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 79.1 p -120.77 -38.15 2.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.668 0.27 . . . . 0.0 111.642 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 28.7 m -53.04 105.09 0.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.979 0.419 . . . . 0.0 111.247 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 59.9 p -124.39 135.07 53.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 133' ' ' PHE . 2.4 p90 -142.16 156.07 45.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.913 0.387 . . . . 0.0 111.19 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.71 HD22 ' O ' ' A' ' 123' ' ' ASP . 0.3 OUTLIER -114.96 112.88 23.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.583 179.542 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.483 ' HD2' HD21 ' A' ' 119' ' ' LEU . 22.2 t80 -91.85 140.96 29.17 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 121.637 0.732 . . . . 0.0 111.035 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.51 ' HE2' HD12 ' A' ' 134' ' ' LEU . 10.5 mtmt -154.93 157.88 38.42 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.0 -1.454 . . . . 0.0 111.279 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.603 ' CE2' ' HB2' ' A' ' 121' ' ' ASN . 57.2 m-85 -76.28 140.87 41.73 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.187 0.517 . . . . 0.0 110.349 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.778 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.142 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.4 ' HB2' ' CG2' ' A' ' 51' ' ' THR . 5.0 m-85 . . . . . 0 CA--C 1.536 0.436 0 N-CA-C 110.544 -0.169 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.404 ' N ' HG22 ' A' ' 51' ' ' THR . 0.1 OUTLIER -140.26 128.94 23.03 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.825 0.345 . . . . 0.0 110.591 179.77 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.68 145.06 53.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.594 HD21 ' ND2' ' A' ' 93' ' ' ASN . 9.8 tp -150.81 -46.87 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.834 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.772 ' C ' HG22 ' A' ' 50' ' ' ILE . . . -139.05 -179.11 17.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.393 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.67 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 50.1 m80 -145.04 163.06 35.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.902 0.382 . . . . 0.0 111.02 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.567 HD11 ' HB ' ' A' ' 50' ' ' ILE . 3.1 mp -127.13 111.47 14.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.738 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.7 t -95.89 121.77 46.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.993 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -90.09 124.86 35.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -80.65 106.64 12.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.804 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.811 HD12 ' O ' ' A' ' 44' ' ' LYS . 2.7 mt -124.15 139.8 33.49 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.795 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.567 ' HD2' HG22 ' A' ' 41' ' ' ILE . 73.7 Cg_endo -76.44 -3.65 14.07 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.358 2.039 . . . . 0.0 112.66 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -113.78 -28.82 3.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.435 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.811 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER 176.06 120.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.729 0.299 . . . . 0.0 110.777 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -71.51 154.65 41.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.022 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -129.06 141.16 51.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.773 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -113.13 129.46 56.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.014 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.6 t -122.64 140.9 45.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.939 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.18 137.5 33.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.914 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.772 HG22 ' C ' ' A' ' 35' ' ' GLY . 1.3 tt -116.12 132.14 66.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.404 HG22 ' N ' ' A' ' 32' ' ' THR . 0.5 OUTLIER -100.9 166.9 10.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.047 -179.7 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -85.09 69.2 10.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.018 0.437 . . . . 0.0 110.47 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.587 ' C ' ' H ' ' A' ' 55' ' ' VAL . 18.1 ttt180 -87.08 8.38 23.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.831 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.479 ' HB2' ' O ' ' A' ' 53' ' ' ARG . 13.9 m-80 69.23 -36.79 0.35 Allowed 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 -178.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.587 ' H ' ' C ' ' A' ' 53' ' ' ARG . 78.8 t -137.47 135.35 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.263 179.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.751 HG23 ' CB ' ' A' ' 65' ' ' ASP . 96.2 m -125.26 130.11 51.39 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.496 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.415 ' N ' ' HB2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.97 138.71 40.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.864 0.364 . . . . 0.0 111.051 -179.814 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.595 ' N ' HD12 ' A' ' 58' ' ' ILE . 3.8 mp -124.22 119.41 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.68 -132.95 2.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.392 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.553 ' CD ' HG22 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -119.98 -21.14 7.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.644 0.259 . . . . 0.0 111.432 -179.855 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.52 154.9 0.85 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.871 0.367 . . . . 0.0 111.154 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -73.97 -42.34 60.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.967 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.3 m -69.95 -17.89 63.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.212 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 21.8 m -55.73 161.82 1.99 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.957 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.751 ' CB ' HG23 ' A' ' 56' ' ' THR . 0.9 OUTLIER -82.63 -66.63 0.87 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.026 0.441 . . . . 0.0 110.886 179.787 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.2 t -101.7 104.18 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.07 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.405 ' O ' HD12 ' A' ' 67' ' ' ILE . 1.9 pp -92.04 116.87 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.25 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.618 HD13 HD11 ' A' ' 73' ' ' ILE . 0.6 OUTLIER -87.74 164.95 15.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 179.845 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.4 t -104.7 65.36 0.75 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -125.8 133.85 25.31 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.05 -16.14 48.54 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.513 2.142 . . . . 0.0 112.547 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -125.02 27.35 6.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.71 0.29 . . . . 0.0 111.258 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.618 HD11 HD13 ' A' ' 68' ' ' LEU . 2.5 tp -76.26 124.05 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.367 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.0 m -62.29 132.14 51.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.281 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.6 m -67.5 -43.62 80.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.719 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 77' ' ' HIS . 0.2 OUTLIER -97.49 13.79 28.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.235 179.768 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -20.09 -71.99 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.599 -1.182 . . . . 0.0 112.805 -179.351 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . . . -155.7 164.03 39.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.15 0.5 . . . . 0.0 112.063 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -129.45 133.3 47.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.218 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.674 ' CE2' HG22 ' A' ' 97' ' ' VAL . 7.1 m-85 -119.43 131.07 55.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.037 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.433 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 11.0 m-70 -94.83 116.39 28.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.922 0.392 . . . . 0.0 111.129 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.57 109.55 21.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.746 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.07 140.05 52.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.105 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -103.91 138.29 40.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.5 ttt -155.01 137.65 15.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.962 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -107.0 139.95 40.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.96 139.08 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.3 t0 69.7 -65.33 0.31 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 2.3 t30 179.34 38.18 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.401 ' CG ' ' O ' ' A' ' 89' ' ' ASN . 78.6 m-85 -157.7 158.82 36.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.806 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -99.88 127.97 46.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -112.94 150.53 31.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.748 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.594 ' ND2' HD21 ' A' ' 34' ' ' LEU . 8.9 m120 -114.06 120.02 39.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.043 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.0 mt -115.04 125.59 53.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.57 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.614 ' N ' HD12 ' A' ' 95' ' ' ILE . 2.8 mp -118.62 141.06 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.23 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.94 144.22 43.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.766 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.674 HG22 ' CE2' ' A' ' 80' ' ' PHE . 20.9 t -112.82 123.42 68.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.165 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.67 HG23 ' HE3' ' A' ' 115' ' ' LYS . 4.1 mp -130.04 121.21 51.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.469 ' HB2' HD13 ' A' ' 112' ' ' LEU . 0.3 OUTLIER -111.25 126.56 55.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -94.21 3.73 54.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.431 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.4 m 58.81 92.62 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.76 0.314 . . . . 0.0 111.008 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 14.1 mmt-85 -121.74 -71.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.762 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -112.4 -34.93 5.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 145.57 116.23 1.01 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.555 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.432 ' CG2' ' CE1' ' A' ' 127' ' ' PHE . 1.0 OUTLIER -131.99 130.56 41.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.341 . . . . 0.0 110.91 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -119.77 136.39 54.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.451 HG21 ' HG ' ' A' ' 112' ' ' LEU . 3.1 tp -122.1 137.19 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.451 0.643 . . . . 0.0 111.217 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.429 ' H ' HD12 ' A' ' 107' ' ' ILE . 11.0 m120 59.87 29.61 19.17 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.681 -179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.7 13.1 74.79 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.836 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -134.15 151.97 51.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.769 0.319 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 129.88 41.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.469 HD13 ' HB2' ' A' ' 99' ' ' ASP . 1.2 tt -75.87 125.91 29.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 113' ' ' VAL . 10.3 p -143.87 51.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.087 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -165.13 148.92 8.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.67 ' HE3' HG23 ' A' ' 98' ' ' ILE . 1.6 tpmp? -97.08 151.97 19.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 34.9 t0 62.83 58.51 1.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.08 137.79 33.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.731 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.546 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.6 tp -98.66 118.03 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.34 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.538 HD23 ' C ' ' A' ' 119' ' ' LEU . 9.4 tt -103.1 134.63 46.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.466 ' N ' HD23 ' A' ' 119' ' ' LEU . 3.4 tptt -125.77 178.15 5.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.821 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.428 ' HB2' ' CE2' ' A' ' 137' ' ' TYR . 9.1 t30 -53.67 143.67 19.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.52 51.37 26.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.459 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.12 120.84 40.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.829 0.347 . . . . 0.0 111.057 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.598 ' HG2' HD12 ' A' ' 134' ' ' LEU . 1.4 mmt85 -91.85 125.74 36.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.745 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.471 HD11 HD11 ' A' ' 119' ' ' LEU . 2.2 mp -126.65 137.87 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.325 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 28.7 t -120.0 127.58 75.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 78' ' ' ALA . 3.3 m-85 -114.56 137.61 51.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.118 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 80.99 -67.49 3.59 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.446 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.6 -34.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.762 0.315 . . . . 0.0 111.044 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.31 -42.03 3.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.271 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 51.8 m -54.16 106.03 0.18 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.928 0.394 . . . . 0.0 111.102 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.3 m -124.2 128.67 49.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.78 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.438 ' CE1' ' HB ' ' A' ' 125' ' ' ILE . 12.2 p90 -141.98 155.86 45.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.087 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.598 HD12 ' HG2' ' A' ' 124' ' ' ARG . 10.1 tt -118.55 139.4 51.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.765 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.499 ' HE2' HG21 ' A' ' 50' ' ' ILE . 21.5 t80 -100.45 141.51 33.2 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 122.023 0.916 . . . . 0.0 111.769 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -154.63 159.74 41.0 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 113.807 -1.542 . . . . 0.0 110.906 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.442 ' CE1' ' HB2' ' A' ' 93' ' ' ASN . 4.4 m-85 -86.11 139.99 30.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.995 0.426 . . . . 0.0 110.634 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.67 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . . . . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.262 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 . . . . . 0 CA--C 1.535 0.368 0 CA-C-O 120.273 0.082 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.493 ' C ' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.51 128.68 22.28 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-O 120.725 0.298 . . . . 0.0 110.633 179.66 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.6 t -76.47 128.37 34.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.84 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 tt -144.9 -44.73 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.192 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.696 ' C ' HG22 ' A' ' 50' ' ' ILE . . . -126.97 173.03 18.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.648 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.434 ' CD2' ' HA ' ' A' ' 49' ' ' GLU . 50.8 m80 -145.47 163.23 35.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mt -124.76 126.31 45.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.799 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.7 t -108.9 123.57 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.099 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -89.92 120.18 30.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.752 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.659 ' O ' HD13 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -86.5 106.94 17.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 -179.874 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.659 HD13 ' O ' ' A' ' 40' ' ' LEU . 9.1 mm -124.15 141.3 36.89 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.53 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.553 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 45.7 Cg_endo -70.97 -3.87 13.68 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.183 1.922 . . . . 0.0 112.895 -179.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -114.71 -9.3 14.45 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.589 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.23 -175.26 0.06 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.757 0.313 . . . . 0.0 110.801 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -137.56 136.22 37.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.843 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -120.96 135.69 55.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.97 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -113.09 130.98 55.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.8 t -120.55 149.76 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.434 ' HA ' ' CD2' ' A' ' 36' ' ' HIS . 1.5 pt-20 -101.77 132.37 47.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.691 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.696 HG22 ' C ' ' A' ' 35' ' ' GLY . 2.7 tt -115.34 132.08 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.122 0.486 . . . . 0.0 111.359 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.792 ' O ' HD23 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -99.8 168.02 10.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.988 -179.621 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -80.92 62.03 4.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.097 0.475 . . . . 0.0 110.114 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.549 ' C ' ' H ' ' A' ' 55' ' ' VAL . 9.0 ttt85 -80.16 1.47 28.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.158 -179.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.411 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 10.0 t-20 71.9 -36.3 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -178.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.549 ' H ' ' C ' ' A' ' 53' ' ' ARG . 74.8 t -137.28 139.15 44.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.781 179.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.693 HG23 ' HB3' ' A' ' 65' ' ' ASP . 53.7 m -125.27 125.18 43.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.165 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.2 OUTLIER -103.83 120.41 40.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.94 0.4 . . . . 0.0 110.831 -179.849 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.89 HG22 HD11 ' A' ' 68' ' ' LEU . 6.8 mt -109.33 122.17 63.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.077 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.44 -154.55 20.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.484 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.427 ' CG ' HG22 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -93.36 -26.58 17.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.666 0.27 . . . . 0.0 110.983 -179.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.702 ' HB2' HG23 ' A' ' 75' ' ' THR . 3.2 t -51.29 150.8 3.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.07 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -75.89 -33.49 59.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.1 m -69.79 -20.58 63.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.048 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 3.4 m -53.17 135.29 38.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.058 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.693 ' HB3' HG23 ' A' ' 56' ' ' THR . 8.4 t70 -58.19 -41.01 82.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.062 0.458 . . . . 0.0 110.615 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.8 t -124.86 111.9 29.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.587 HD12 ' H ' ' A' ' 67' ' ' ILE . 3.1 mp -92.88 118.53 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.15 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.89 HD11 HG22 ' A' ' 58' ' ' ILE . 4.9 mp -72.17 -176.06 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 m -112.24 27.29 9.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.265 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.417 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 0.2 OUTLIER -105.36 120.36 49.83 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.58 179.688 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -57.68 -16.17 23.7 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.506 2.137 . . . . 0.0 112.865 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -133.48 37.2 3.34 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.583 0.23 . . . . 0.0 111.591 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.88 HG12 HD13 ' A' ' 68' ' ' LEU . 3.6 tp -75.99 146.56 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.308 . . . . 0.0 110.838 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.09 130.51 46.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.234 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.702 HG23 ' HB2' ' A' ' 61' ' ' SER . 60.4 m -68.39 -44.07 75.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.633 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 77' ' ' HIS . 49.6 m-85 -100.66 13.89 33.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.162 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.5 ' CD2' ' CD2' ' A' ' 127' ' ' PHE . 2.7 t60 -21.96 -67.48 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.584 -1.189 . . . . 0.0 112.656 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . . . -156.28 161.92 40.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.965 0.412 . . . . 0.0 111.774 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -128.67 133.99 48.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.496 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.837 ' CE2' HG22 ' A' ' 97' ' ' VAL . 7.6 m-85 -119.54 127.28 52.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.857 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.411 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 11.1 m170 -94.86 116.47 28.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.902 0.382 . . . . 0.0 111.364 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.792 HD23 ' O ' ' A' ' 51' ' ' THR . 22.8 tp -106.62 109.66 21.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.572 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.482 HD23 ' N ' ' A' ' 84' ' ' GLN . 1.3 tt -122.14 140.07 52.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.482 ' N ' HD23 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -100.5 121.0 40.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.74 179.879 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.2 138.57 51.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -103.38 115.9 31.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.517 HG12 ' HG2' ' A' ' 92' ' ' ARG . 11.3 p -140.0 127.17 23.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.033 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 65.64 -171.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.765 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.83 -57.4 5.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.285 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -84.87 -176.46 6.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -128.23 143.28 51.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.517 ' HG2' HG12 ' A' ' 87' ' ' VAL . 5.1 ptp180 -117.03 146.0 43.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.956 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -113.95 126.6 55.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 11.7 mt -108.39 135.79 49.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' ' 95' ' ' ILE . 4.1 mp -121.36 136.78 57.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.152 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.5 144.11 43.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.734 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.837 HG22 ' CE2' ' A' ' 80' ' ' PHE . 21.8 t -110.05 129.73 64.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.255 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.9 mm -126.25 130.46 72.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.059 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -130.24 130.35 44.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.45 9.48 37.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.399 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 m 59.11 109.55 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.855 0.359 . . . . 0.0 111.074 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.28 -47.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.805 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -127.24 -43.62 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.177 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 145.17 110.91 0.7 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.436 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.78 123.56 41.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.34 . . . . 0.0 111.039 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -120.98 137.44 54.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.544 HD12 ' O ' ' A' ' 124' ' ' ARG . 3.2 tp -122.93 137.19 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.451 0.643 . . . . 0.0 111.374 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.519 ' H ' HD12 ' A' ' 107' ' ' ILE . 13.7 m120 64.35 27.46 13.7 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.794 -179.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.67 10.77 72.09 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.975 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -134.06 150.7 51.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.785 0.326 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.93 136.45 54.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.459 ' O ' HD12 ' A' ' 112' ' ' LEU . 4.4 pp -77.37 141.72 39.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.974 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.481 HG13 ' N ' ' A' ' 114' ' ' LYS . 11.1 p -128.5 -44.91 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.098 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.481 ' N ' HG13 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -78.44 158.01 28.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -94.22 153.22 18.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.978 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.6 t70 60.1 75.32 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -84.07 139.16 32.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.534 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.2 tp -98.55 119.26 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.205 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.753 HD11 HD11 ' A' ' 125' ' ' ILE . 10.5 tt -103.02 139.48 38.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.017 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.419 ' N ' HD23 ' A' ' 119' ' ' LEU . 8.9 mtpt -135.05 178.07 7.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.809 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 8.2 p-10 -57.04 140.52 48.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 74.71 37.45 45.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.398 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.64 129.0 56.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.727 0.298 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.698 ' HG3' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -101.65 129.56 47.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.753 HD11 HD11 ' A' ' 119' ' ' LEU . 2.0 mp -124.09 136.28 60.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.013 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.565 HG22 ' OG ' ' A' ' 132' ' ' SER . 38.0 t -115.04 128.51 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.133 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.533 ' CZ ' ' HB3' ' A' ' 78' ' ' ALA . 2.8 m-85 -110.37 140.32 44.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 72.35 -64.67 1.35 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.436 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 170.26 -35.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.753 0.311 . . . . 0.0 110.951 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.3 -42.8 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.511 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 71.8 m -55.55 107.09 0.29 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.148 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.565 ' OG ' HG22 ' A' ' 126' ' ' VAL . 4.3 m -124.23 128.86 49.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.822 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.433 ' CE2' ' HB ' ' A' ' 125' ' ' ILE . 16.4 p90 -142.0 156.1 45.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.917 0.389 . . . . 0.0 111.065 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.698 HD12 ' HG3' ' A' ' 124' ' ' ARG . 6.0 tt -120.56 138.93 53.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.746 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.444 ' HE1' HG21 ' A' ' 50' ' ' ILE . 81.9 t80 -103.45 141.71 35.51 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 121.979 0.895 . . . . 0.0 111.849 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -154.27 147.43 24.74 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 113.848 -1.523 . . . . 0.0 110.701 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 137' ' ' TYR . 0.5 OUTLIER -78.64 139.48 38.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.919 0.39 . . . . 0.0 110.841 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.087 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.406 ' N ' HG21 ' A' ' 51' ' ' THR . 4.2 m-85 . . . . . 0 CA--C 1.534 0.361 0 CA-C-O 120.384 0.135 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.553 ' N ' HG22 ' A' ' 51' ' ' THR . 0.0 OUTLIER -140.41 130.24 24.52 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.755 0.312 . . . . 0.0 110.488 179.752 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.89 144.97 47.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.088 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 34' ' ' LEU . 1.2 tm? -150.1 -46.1 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.775 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.714 ' C ' HG22 ' A' ' 50' ' ' ILE . . . -149.99 -175.77 22.47 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.366 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -147.15 162.41 38.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.897 0.38 . . . . 0.0 111.072 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.5 mp -126.9 124.68 40.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.638 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.56 121.96 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.073 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -89.43 113.96 25.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -77.7 106.83 9.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.414 HG22 ' HD2' ' A' ' 42' ' ' PRO . 8.0 mt -124.08 138.96 31.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.962 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.414 ' HD2' HG22 ' A' ' 41' ' ' ILE . 52.4 Cg_exo -52.59 -25.73 26.81 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.489 2.126 . . . . 0.0 112.523 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.25 -29.74 18.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.563 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.24 -167.79 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.48 129.83 50.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.971 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.32 127.67 49.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.63 130.25 46.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.034 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 37.6 t -122.45 149.52 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -101.93 135.5 43.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.958 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.714 HG22 ' C ' ' A' ' 35' ' ' GLY . 1.8 tt -116.13 132.06 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.167 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.553 HG22 ' N ' ' A' ' 32' ' ' THR . 0.4 OUTLIER -101.62 168.05 9.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.994 -179.717 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -92.45 66.8 4.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.148 0.499 . . . . 0.0 110.332 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.574 ' C ' ' H ' ' A' ' 55' ' ' VAL . 14.8 ttt85 -85.37 7.58 21.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.996 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.432 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 1.0 OUTLIER 71.73 -38.4 0.42 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 -178.684 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.574 ' H ' ' C ' ' A' ' 53' ' ' ARG . 77.7 t -137.35 135.2 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.255 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.777 HG23 ' CB ' ' A' ' 65' ' ' ASP . 97.2 m -125.2 131.33 53.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.449 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.41 ' N ' ' HB2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.88 137.32 42.05 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.935 0.398 . . . . 0.0 110.875 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.656 HG22 HD11 ' A' ' 68' ' ' LEU . 26.9 mt -121.59 119.07 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.15 -140.67 6.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.295 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.615 ' HD2' HG22 ' A' ' 73' ' ' ILE . 8.5 ttt-85 -113.1 -21.21 11.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.67 0.271 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.6 152.21 0.72 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.9 0.381 . . . . 0.0 111.304 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.35 -40.34 67.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.6 t -72.1 -19.56 61.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.367 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 18.0 m -54.85 160.02 2.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.726 0.298 . . . . 0.0 111.004 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.777 ' CB ' HG23 ' A' ' 56' ' ' THR . 1.0 OUTLIER -80.7 -66.07 0.93 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.01 0.433 . . . . 0.0 110.845 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.6 t -97.6 108.44 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.181 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.7 pt -91.92 104.9 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.045 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.733 HD13 HG12 ' A' ' 73' ' ' ILE . 4.3 mp -72.37 -176.79 1.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.42 37.23 4.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.95 124.24 44.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.701 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -56.0 -18.62 23.2 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.475 2.117 . . . . 0.0 112.713 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -127.77 33.31 4.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.694 0.283 . . . . 0.0 111.215 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.733 HG12 HD13 ' A' ' 68' ' ' LEU . 4.2 tp -76.15 125.31 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 111.065 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.42 ' HB3' ' CG ' ' A' ' 77' ' ' HIS . 26.5 t -57.06 131.99 51.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.3 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.6 m -63.07 -44.02 96.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.732 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.461 ' O ' ' C ' ' A' ' 77' ' ' HIS . 7.5 m-85 -103.95 13.81 31.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.3 0.571 . . . . 0.0 111.263 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' A' ' 76' ' ' PHE . 1.8 t-160 -16.03 -68.38 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.548 -1.205 . . . . 0.0 112.909 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.55 160.24 42.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.092 0.472 . . . . 0.0 112.058 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -125.61 133.63 52.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.132 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.617 ' CE2' HG22 ' A' ' 97' ' ' VAL . 7.2 m-85 -119.43 131.03 55.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.786 0.326 . . . . 0.0 111.107 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.432 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 7.8 m-70 -94.99 116.29 28.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.905 0.383 . . . . 0.0 110.971 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.414 HD13 HG12 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -106.67 109.7 21.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.765 179.723 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.05 140.01 53.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.068 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -108.61 120.96 43.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.766 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -128.55 127.31 42.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -107.04 123.32 48.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.01 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.0 t -121.58 135.65 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.971 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 70.1 -61.76 0.45 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -171.4 -41.59 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.813 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -65.92 -172.87 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.768 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.28 127.83 50.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -117.04 117.4 29.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -113.81 130.97 56.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.068 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.441 HD21 ' NZ ' ' A' ' 120' ' ' LYS . 1.8 mt -122.99 136.33 54.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.681 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.526 ' N ' HD12 ' A' ' 95' ' ' ILE . 3.9 mp -118.65 134.9 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.148 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.15 140.63 48.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.739 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.617 HG22 ' CE2' ' A' ' 80' ' ' PHE . 18.5 t -105.16 134.92 45.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.215 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.497 HD13 ' O ' ' A' ' 97' ' ' VAL . 28.1 mm -129.05 121.11 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.061 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -111.04 128.79 55.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.46 35.2 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.3 m -116.75 -178.18 3.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.82 79.81 1.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -153.83 -59.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.26 107.77 0.59 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.467 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.528 HG23 ' CE1' ' A' ' 127' ' ' PHE . 90.2 m -115.09 127.22 55.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 110.987 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -121.04 115.04 22.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.762 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.506 HG21 HD12 ' A' ' 112' ' ' LEU . 2.7 tp -116.01 137.23 50.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.468 0.651 . . . . 0.0 111.401 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 61.58 27.04 16.61 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.69 11.83 73.47 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.881 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -134.08 151.95 51.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.834 0.35 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 -71.95 136.76 46.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.506 HD12 HG21 ' A' ' 107' ' ' ILE . 2.6 tt -78.21 130.7 36.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 114' ' ' LYS . 11.0 p -121.29 -44.99 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.486 ' N ' HG13 ' A' ' 113' ' ' VAL . 15.0 tttt -93.01 143.63 26.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.84 167.51 20.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.998 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.2 t70 60.69 64.44 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -83.92 138.79 32.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.476 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.1 tp -98.68 120.73 48.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.98 0.419 . . . . 0.0 111.278 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.892 HD11 HD11 ' A' ' 125' ' ' ILE . 9.0 tt -103.09 132.92 48.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.0 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.441 ' NZ ' HD21 ' A' ' 94' ' ' LEU . 6.4 mtpp -130.1 178.19 6.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.841 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.456 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 6.1 p30 -52.29 146.58 9.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 64.57 44.79 94.59 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.363 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.19 118.6 32.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 111.067 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.11 123.91 34.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.671 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.892 HD11 HD11 ' A' ' 119' ' ' LEU . 2.5 mp -114.87 131.35 67.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.286 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 25.9 t -119.7 132.48 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.528 ' CE1' HG23 ' A' ' 105' ' ' THR . 35.7 m-85 -128.79 139.26 52.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.051 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 86.84 -69.35 3.1 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.337 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 9.8 pttp 170.19 -33.41 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.728 0.299 . . . . 0.0 110.989 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.9 p -112.38 -39.17 4.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.456 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 23.9 m -54.79 104.25 0.11 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.899 0.38 . . . . 0.0 111.233 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 58.0 m -124.59 123.82 40.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.816 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -142.1 156.32 45.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.095 0.474 . . . . 0.0 111.305 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 5.7 tp -114.3 136.97 52.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.651 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.434 ' HE2' HG21 ' A' ' 50' ' ' ILE . 28.4 t80 -104.14 141.66 35.85 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.988 0.899 . . . . 0.0 111.907 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -154.3 157.57 38.86 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 113.81 -1.541 . . . . 0.0 110.709 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 121' ' ' ASN . 4.6 m-85 -84.77 139.95 31.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.015 0.436 . . . . 0.0 110.756 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.052 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 . . . . . 0 CA--C 1.535 0.373 0 N-CA-C 110.713 -0.106 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.484 ' N ' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.28 136.16 33.01 Favored 'General case' 0 C--N 1.334 -0.067 0 CA-C-O 120.802 0.334 . . . . 0.0 110.579 179.568 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.81 144.7 47.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.094 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.434 HD11 ' HG3' ' A' ' 84' ' ' GLN . 0.9 OUTLIER -147.5 -46.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.813 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.68 ' C ' HG22 ' A' ' 50' ' ' ILE . . . -149.66 -173.29 19.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.361 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.563 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 55.2 m80 -147.08 162.85 37.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.023 0.439 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.548 HD13 HG21 ' A' ' 66' ' ' VAL . 3.8 mt -127.01 110.53 13.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.634 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -96.37 121.84 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.327 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -90.14 115.54 27.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 40' ' ' LEU . 4.7 mp -95.0 106.85 18.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.799 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.4 mt -124.15 139.23 32.25 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.015 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.84 89.6 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.463 2.109 . . . . 0.0 112.247 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.2 51.92 1.82 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 175.02 -176.79 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.867 0.365 . . . . 0.0 110.839 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -175.95 136.43 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -139.65 127.85 22.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -113.0 127.69 56.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.2 t -120.15 151.03 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.216 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -101.57 134.47 44.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.68 HG22 ' C ' ' A' ' 35' ' ' GLY . 8.4 tt -116.07 132.04 66.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.306 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.484 HG22 ' N ' ' A' ' 32' ' ' THR . 0.2 OUTLIER -98.22 165.18 12.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.981 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -77.61 64.64 2.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.079 0.466 . . . . 0.0 110.298 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.551 ' C ' ' H ' ' A' ' 55' ' ' VAL . 11.7 ttt-85 -81.89 2.54 30.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.097 -179.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.428 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 4.0 m120 71.37 -38.0 0.41 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.551 ' H ' ' C ' ' A' ' 53' ' ' ARG . 74.9 t -137.27 137.22 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.775 179.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.77 HG23 ' CB ' ' A' ' 65' ' ' ASP . 86.9 m -125.23 130.05 51.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.146 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.83 140.73 37.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.932 0.396 . . . . 0.0 111.322 -179.618 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.904 HG22 HD11 ' A' ' 68' ' ' LEU . 4.5 mp -132.38 130.56 60.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.3 -121.18 0.97 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.14 -1.028 . . . . 0.0 113.372 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.459 ' HG3' HG22 ' A' ' 73' ' ' ILE . 1.4 ttt-85 -119.77 -43.9 2.55 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.736 0.303 . . . . 0.0 111.367 -179.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 t -41.88 150.29 0.12 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.549 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.99 -30.73 58.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.934 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.9 m -69.91 -20.68 63.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 34.6 m -57.92 158.39 6.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.789 0.328 . . . . 0.0 110.862 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.77 ' CB ' HG23 ' A' ' 56' ' ' THR . 0.8 OUTLIER -73.28 -57.84 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 111.195 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.548 HG21 HD13 ' A' ' 37' ' ' LEU . 25.4 t -124.32 133.05 70.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.841 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 16.6 pt -99.66 128.21 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.597 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.904 HD11 HG22 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -86.7 -79.47 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.187 -179.596 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 9.1 t -102.35 -104.15 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.51 ' CB ' ' CD ' ' A' ' 71' ' ' PRO . 0.0 OUTLIER 167.72 -68.44 0.0 OUTLIER Pre-proline 0 CA--C 1.531 0.222 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 179.441 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 70' ' ' GLU . 43.4 Cg_endo -67.62 -40.2 10.61 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.42 2.08 . . . . 0.0 113.81 -178.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -118.98 34.3 5.28 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.459 HG22 ' HG3' ' A' ' 60' ' ' ARG . 4.7 tp -110.99 126.21 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.955 0.407 . . . . 0.0 111.184 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 m -59.06 132.35 53.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.155 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.93 -31.51 72.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 77' ' ' HIS . 7.8 m-85 -111.99 13.81 20.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.318 0.58 . . . . 0.0 111.285 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 76' ' ' PHE . 1.1 t60 -18.23 -70.77 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.451 -1.249 . . . . 0.0 113.224 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.629 ' HB3' ' CE2' ' A' ' 127' ' ' PHE . . . -155.26 164.12 39.22 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.112 0.482 . . . . 0.0 112.07 -179.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -131.83 137.6 48.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.384 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.528 ' CE1' HG13 ' A' ' 97' ' ' VAL . 44.6 m-85 -119.37 129.03 54.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.852 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.428 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 7.3 m-70 -94.98 116.05 28.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.857 0.36 . . . . 0.0 111.068 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 82' ' ' LEU . 11.7 tp -106.76 109.73 21.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.755 179.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.482 HD21 ' HG3' ' A' ' 85' ' ' MET . 6.2 tt -121.41 140.11 52.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.138 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.472 ' N ' HD23 ' A' ' 83' ' ' LEU . 2.8 tm0? -127.91 120.97 28.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.82 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.482 ' HG3' HD21 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -134.46 142.03 46.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.81 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -99.68 115.96 30.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.0 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.0 m -113.23 119.26 60.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 t70 77.16 -54.22 0.55 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.061 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -175.55 -39.53 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.825 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -79.98 158.29 26.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.852 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -101.18 131.92 46.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -111.39 128.31 55.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.418 HD22 HD21 ' A' ' 34' ' ' LEU . 8.7 m120 -113.58 129.14 56.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.593 HD22 HD11 ' A' ' 118' ' ' ILE . 8.0 mt -131.22 137.93 49.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.403 ' CD1' ' CE1' ' A' ' 135' ' ' PHE . 4.0 mp -120.39 139.46 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.071 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.95 134.57 55.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.528 HG13 ' CE1' ' A' ' 80' ' ' PHE . 20.7 t -99.95 122.73 52.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.24 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 9.2 mt -130.05 120.92 50.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.797 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -109.47 129.31 55.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.011 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.1 -9.29 59.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.328 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.7 m 66.92 98.63 0.05 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.806 0.336 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.19 -55.51 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -110.29 -38.96 5.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 124.27 107.87 1.77 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.512 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.9 m -107.06 126.28 52.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.36 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -112.18 126.59 55.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.499 ' CG2' HD13 ' A' ' 112' ' ' LEU . 2.9 tp -114.94 137.38 48.61 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-O 121.482 0.658 . . . . 0.0 111.298 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 62.77 27.54 16.11 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.58 11.67 72.83 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.945 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -134.06 151.95 51.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.787 0.327 . . . . 0.0 110.844 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.26 130.07 40.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.853 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.499 HD13 ' CG2' ' A' ' 107' ' ' ILE . 6.0 tp -100.05 142.06 32.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.62 HG22 ' O ' ' A' ' 113' ' ' VAL . 14.5 p -128.38 30.96 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.01 176.77 4.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -119.03 -40.79 2.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.11 69.48 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.952 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.454 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 10.7 t80 -84.17 139.34 32.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.79 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.593 HD11 HD22 ' A' ' 94' ' ' LEU . 8.8 tp -98.43 121.62 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.187 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.723 HD11 HD11 ' A' ' 125' ' ' ILE . 9.5 tt -102.96 138.64 39.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.002 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -122.82 171.13 9.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.425 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 5.9 p-10 -58.12 138.26 56.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.413 ' HA2' HD21 ' A' ' 134' ' ' LEU . . . 77.51 49.56 7.2 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.495 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.27 127.94 47.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.757 0.313 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.486 ' CG ' HD12 ' A' ' 134' ' ' LEU . 13.5 mtt-85 -89.26 122.6 32.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.803 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.723 HD11 HD11 ' A' ' 119' ' ' LEU . 1.8 mp -123.12 129.6 74.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.8 t -111.65 134.06 55.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.039 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.653 ' HB2' HD22 ' A' ' 68' ' ' LEU . 5.2 m-85 -116.37 137.25 52.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.011 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.68 -64.9 2.55 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.463 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 170.44 -35.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.34 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 18.2 p -106.81 -38.09 6.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.305 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 22.7 m -57.82 105.85 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.906 0.384 . . . . 0.0 111.06 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 72.4 p -124.47 120.8 33.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.192 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 133' ' ' PHE . 1.8 p90 -142.03 152.64 43.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.778 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.486 HD12 ' CG ' ' A' ' 124' ' ' ARG . 5.5 tt -114.48 139.96 49.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.005 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.403 ' CE1' ' CD1' ' A' ' 95' ' ' ILE . 21.8 t80 -106.87 141.71 37.66 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 121.883 0.849 . . . . 0.0 111.539 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -154.52 155.6 35.13 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 114.047 -1.433 . . . . 0.0 110.954 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.425 ' CE2' ' HB3' ' A' ' 121' ' ' ASN . 1.2 m-85 -79.11 139.9 37.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.923 0.392 . . . . 0.0 110.578 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.563 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . . . . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.002 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.403 ' HB2' ' CG2' ' A' ' 51' ' ' THR . 39.3 m-85 . . . . . 0 CA--C 1.534 0.362 0 CA-C-O 120.236 0.065 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.24 128.9 23.0 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.836 0.35 . . . . 0.0 110.64 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.41 145.03 49.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.008 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.14 -46.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.475 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -139.03 166.73 25.35 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.084 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.416 ' CE1' ' CB ' ' A' ' 138' ' ' ALA . 28.3 m80 -134.27 160.27 38.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.895 0.379 . . . . 0.0 111.097 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.686 HD12 HD11 ' A' ' 50' ' ' ILE . 16.5 mt -124.72 115.03 20.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.782 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.2 t -96.01 121.89 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.143 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.595 ' HB3' HD11 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -90.14 116.69 28.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.776 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mp -99.01 106.95 19.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.595 HD11 ' HB3' ' A' ' 39' ' ' ASN . 3.8 mp -124.19 141.28 36.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.831 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.549 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 56.7 Cg_endo -73.26 87.79 1.03 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.169 1.913 . . . . 0.0 111.984 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.29 19.9 4.93 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.46 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 ttpp 179.96 166.43 1.24 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.812 0.339 . . . . 0.0 110.697 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.05 145.32 25.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.953 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -137.54 139.97 40.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -113.06 125.85 54.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.454 HG11 HG13 ' A' ' 66' ' ' VAL . 38.7 t -122.73 149.03 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.175 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -107.96 142.08 38.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.686 HD11 HD12 ' A' ' 37' ' ' LEU . 23.9 mm -116.1 131.49 68.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.376 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.403 ' CG2' ' HB2' ' A' ' 31' ' ' TYR . 0.6 OUTLIER -106.47 168.23 9.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.3 p30 -91.24 66.9 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.094 0.473 . . . . 0.0 110.429 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.57 ' C ' ' H ' ' A' ' 55' ' ' VAL . 20.1 ttt180 -88.07 10.05 20.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.896 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.401 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 0.5 OUTLIER 71.47 -39.34 0.45 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -178.584 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.57 ' H ' ' C ' ' A' ' 53' ' ' ARG . 94.5 t -137.56 137.26 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.254 178.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.768 HG23 ' CB ' ' A' ' 65' ' ' ASP . 60.6 m -125.31 129.18 49.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.333 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.94 137.93 41.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.96 0.41 . . . . 0.0 111.065 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.44 ' CD1' ' CE1' ' A' ' 80' ' ' PHE . 8.2 mt -128.56 118.3 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.29 -141.19 5.61 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.544 -0.836 . . . . 0.0 113.047 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.417 ' HD2' ' O ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -101.25 -30.79 11.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.776 0.322 . . . . 0.0 111.038 -179.631 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.624 ' CB ' HG23 ' A' ' 75' ' ' THR . 0.3 OUTLIER -46.34 157.85 0.12 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.411 -179.647 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -85.45 -35.21 21.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.711 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.07 -21.46 63.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 67.0 m -52.55 155.94 2.01 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.768 ' CB ' HG23 ' A' ' 56' ' ' THR . 1.4 m-20 -73.06 -59.02 2.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.39 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.454 HG13 HG11 ' A' ' 48' ' ' VAL . 26.3 t -110.97 131.91 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.141 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.1 pp -97.35 104.92 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.854 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.486 HD23 HD11 ' A' ' 73' ' ' ILE . 2.2 tp -73.74 -152.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.118 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.557 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 16.3 t -35.91 -88.95 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 117.463 0.12 . . . . 0.0 111.1 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.557 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.5 OUTLIER 143.37 -67.17 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.661 0 C-N-CA 123.162 0.585 . . . . 0.0 111.129 179.048 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 70' ' ' GLU . 40.9 Cg_endo -67.28 -13.86 40.91 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.509 2.139 . . . . 0.0 113.415 -179.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -139.71 26.03 2.33 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.756 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.486 HD11 HD23 ' A' ' 68' ' ' LEU . 6.3 tp -106.67 144.66 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.009 0.433 . . . . 0.0 111.423 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 77' ' ' HIS . 63.3 m -87.46 130.87 34.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.234 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.624 HG23 ' CB ' ' A' ' 61' ' ' SER . 17.0 m -55.66 -34.89 65.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.139 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -112.12 14.16 20.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.19 0.519 . . . . 0.0 111.582 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 74' ' ' SER . 6.7 t60 -28.4 -68.74 0.06 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.865 -1.061 . . . . 0.0 112.759 -179.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -149.9 164.08 36.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.158 0.504 . . . . 0.0 112.115 -179.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.9 137.43 41.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.436 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.491 ' HZ ' HD13 ' A' ' 125' ' ' ILE . 7.0 m-85 -119.45 131.23 55.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.012 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.401 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 9.7 m-70 -94.86 116.82 29.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.87 0.367 . . . . 0.0 111.16 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.635 HD11 HG21 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -106.29 109.41 21.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.795 179.744 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.32 140.11 53.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -99.65 131.44 45.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.03 118.74 37.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -84.28 122.75 29.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.076 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.0 t -140.03 139.38 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.947 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -44.73 -66.33 0.41 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.519 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -49.9 -79.93 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.28 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -139.07 148.06 42.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.74 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -82.8 128.04 34.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.002 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 -117.05 139.44 50.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -114.02 131.65 56.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.8 mp -105.95 141.93 36.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.67 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.597 HD12 ' HG ' ' A' ' 82' ' ' LEU . 12.0 mm -116.73 138.65 46.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.219 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.41 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -115.09 144.13 44.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.567 179.804 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.471 HG13 ' CZ ' ' A' ' 80' ' ' PHE . 14.5 t -115.52 135.02 56.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.268 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 27.0 mt -124.15 137.27 57.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.531 ' HB2' HD13 ' A' ' 112' ' ' LEU . 9.5 t0 -107.89 114.93 29.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.021 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -143.28 51.25 1.38 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.799 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.65 172.83 8.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.996 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -110.53 -30.96 7.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.749 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -65.65 -74.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.216 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 170.86 142.21 3.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.769 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.434 HG23 ' CD1' ' A' ' 127' ' ' PHE . 82.9 m -131.99 122.85 26.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.732 0.301 . . . . 0.0 110.652 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -121.07 121.23 37.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.006 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.767 HD13 HD12 ' A' ' 125' ' ' ILE . 3.1 tp -117.67 137.25 52.2 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 CA-C-O 121.502 0.668 . . . . 0.0 111.231 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 60.28 31.0 20.3 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.738 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.61 13.1 74.46 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.823 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -134.11 152.01 51.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 110.795 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 -70.42 142.78 51.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.531 HD13 ' HB2' ' A' ' 99' ' ' ASP . 9.5 tt -77.46 121.91 24.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 30.7 m -138.64 30.88 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.072 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.05 149.72 33.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.42 141.85 28.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 25.4 t70 62.63 70.73 0.55 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -84.08 139.1 32.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.79 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.537 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.6 tp -98.69 118.14 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.042 0.449 . . . . 0.0 111.313 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.44 HD21 ' HB3' ' A' ' 135' ' ' PHE . 9.5 tt -103.09 144.19 31.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.962 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -136.13 178.04 7.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.72 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.417 ' HB3' ' CD2' ' A' ' 137' ' ' TYR . 8.4 p-10 -58.93 140.51 55.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.416 ' HA2' HD21 ' A' ' 134' ' ' LEU . . . 74.97 42.51 29.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.507 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.498 ' C ' HD12 ' A' ' 134' ' ' LEU . 4.1 m-20 -121.66 118.53 29.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.361 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.634 ' N ' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -90.31 119.41 30.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.779 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.767 HD12 HD13 ' A' ' 107' ' ' ILE . 3.6 tt -118.05 137.53 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.234 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.489 HG22 ' OG ' ' A' ' 132' ' ' SER . 25.3 t -116.56 132.33 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.931 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.434 ' CD1' HG23 ' A' ' 105' ' ' THR . 18.9 m-85 -122.22 134.59 54.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 83.65 -68.07 3.61 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.371 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 171.2 -33.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.618 0.247 . . . . 0.0 110.969 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 95.8 p -110.42 -41.23 4.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.372 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 38.3 m -56.37 102.02 0.07 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.106 0.479 . . . . 0.0 111.288 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.489 ' OG ' HG22 ' A' ' 126' ' ' VAL . 2.7 t -124.87 119.89 30.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.141 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.516 ' HD1' HD22 ' A' ' 37' ' ' LEU . 27.5 p90 -142.05 156.15 45.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.873 0.368 . . . . 0.0 111.203 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 124' ' ' ARG . 1.5 tp -113.35 140.01 48.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.808 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.471 ' HB2' HD21 ' A' ' 37' ' ' LEU . 26.0 t80 -105.14 141.47 36.64 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.947 0.88 . . . . 0.0 111.816 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -154.69 155.96 35.55 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 113.869 -1.514 . . . . 0.0 110.893 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.417 ' CD2' ' HB3' ' A' ' 121' ' ' ASN . 5.5 m-85 -86.01 139.56 31.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.743 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.416 ' CB ' ' CE1' ' A' ' 36' ' ' HIS . . . . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 . . . . . 0 CA--C 1.534 0.33 0 CA-C-O 120.285 0.088 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.504 ' N ' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.42 128.92 22.74 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.72 0.295 . . . . 0.0 110.627 179.747 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.2 132.2 53.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.072 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.62 -47.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.624 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.625 ' C ' HG22 ' A' ' 50' ' ' ILE . . . -140.37 -172.14 12.75 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.175 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.667 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 46.6 m80 -145.82 164.38 32.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.956 0.408 . . . . 0.0 111.051 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.405 HD11 HD12 ' A' ' 50' ' ' ILE . 1.2 mp -127.24 127.49 44.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.758 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.578 HG22 ' CD ' ' A' ' 47' ' ' LYS . 21.8 t -110.51 121.98 64.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -88.21 113.95 24.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.836 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mp -93.29 106.79 18.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.539 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 3.6 mp -124.18 141.01 36.15 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.539 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 46.5 Cg_endo -71.74 77.36 1.84 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.122 1.881 . . . . 0.0 111.803 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.54 31.07 1.09 Allowed Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.247 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 175.29 -170.25 0.05 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.808 0.337 . . . . 0.0 110.716 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -178.43 151.17 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -146.43 130.22 17.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.578 ' CD ' HG22 ' A' ' 38' ' ' VAL . 0.4 OUTLIER -113.12 126.41 55.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.976 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 42.9 t -125.11 148.53 29.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.161 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -94.24 137.89 32.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.759 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.625 HG22 ' C ' ' A' ' 35' ' ' GLY . 13.0 tt -116.14 132.13 66.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.052 0.453 . . . . 0.0 111.442 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.504 HG22 ' N ' ' A' ' 32' ' ' THR . 0.2 OUTLIER -100.89 168.13 9.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.93 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -77.03 63.13 2.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.023 0.44 . . . . 0.0 110.29 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.543 ' C ' ' H ' ' A' ' 55' ' ' VAL . 4.4 ttt85 -81.55 0.88 36.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.051 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.479 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 0.9 OUTLIER 71.72 -36.46 0.36 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -178.761 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.543 ' H ' ' C ' ' A' ' 53' ' ' ARG . 73.8 t -137.45 138.78 44.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.746 179.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.441 HG22 ' CB ' ' A' ' 65' ' ' ASP . 0.7 OUTLIER -125.31 128.32 48.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.5 179.828 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.88 137.45 41.85 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.822 0.344 . . . . 0.0 111.126 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.477 HD11 ' HD2' ' A' ' 80' ' ' PHE . 4.6 mp -131.66 124.43 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.181 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.16 -135.14 3.26 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.416 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.496 ' HB2' HG23 ' A' ' 73' ' ' ILE . 9.4 ttt-85 -108.54 -26.35 10.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.826 0.346 . . . . 0.0 111.026 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.24 139.15 43.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -70.19 -30.0 67.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.8 m -69.97 -25.73 63.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 90.4 m -55.78 162.69 1.66 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.441 ' CB ' HG22 ' A' ' 56' ' ' THR . 0.6 OUTLIER -71.06 -57.06 4.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.967 0.413 . . . . 0.0 110.847 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.14 116.31 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.973 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 10.5 pt -93.77 128.08 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.178 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.422 HD13 HD13 ' A' ' 73' ' ' ILE . 1.1 mt -90.68 164.71 14.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.751 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.3 m -103.25 31.37 4.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.59 133.89 30.28 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.547 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.24 -13.72 41.12 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.417 2.078 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -134.74 38.3 3.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 111.091 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.496 HG23 ' HB2' ' A' ' 60' ' ' ARG . 8.3 tp -81.62 121.07 34.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.983 0.42 . . . . 0.0 111.205 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.0 t -56.33 134.41 53.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.365 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.0 m -61.8 -44.03 97.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.797 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.458 ' O ' ' C ' ' A' ' 77' ' ' HIS . 11.9 m-85 -102.8 13.83 33.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.208 0.528 . . . . 0.0 111.385 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -18.67 -70.15 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.603 -1.18 . . . . 0.0 112.916 -179.329 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -145.32 162.82 36.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.13 0.49 . . . . 0.0 111.843 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -134.48 133.97 40.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.446 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.614 ' CE1' HG13 ' A' ' 97' ' ' VAL . 54.7 m-85 -119.37 128.0 53.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.849 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.479 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 12.8 m-70 -94.95 116.48 28.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.812 0.339 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.43 HD22 HG12 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -106.4 109.44 21.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.797 179.714 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.46 140.15 53.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.072 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -103.36 120.88 41.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.1 mtt -131.44 127.68 37.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -107.07 136.9 46.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.57 HG12 ' OD1' ' A' ' 88' ' ' ASP . 21.5 t -138.56 139.03 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.028 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.57 ' OD1' HG12 ' A' ' 87' ' ' VAL . 4.1 m-20 71.14 -60.62 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.083 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -171.82 -41.32 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.834 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -74.8 -177.12 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.651 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -129.7 128.0 41.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.034 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -114.76 143.48 45.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -114.04 120.77 41.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.06 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.5 mt -106.29 136.0 46.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.652 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.407 ' N ' HD12 ' A' ' 95' ' ' ILE . 3.1 mp -123.28 141.08 44.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.887 0.375 . . . . 0.0 111.259 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -117.68 142.81 46.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.775 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.614 HG13 ' CE1' ' A' ' 80' ' ' PHE . 11.5 t -110.13 133.41 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.432 HD11 ' CD2' ' A' ' 81' ' ' HIS . 5.0 mt -128.14 126.94 67.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.016 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.401 ' HB3' HD13 ' A' ' 112' ' ' LEU . 11.9 p-10 -84.95 118.84 24.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -144.71 37.78 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.9 179.87 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -109.96 -31.14 7.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.967 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -92.32 -48.77 6.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.09 146.42 4.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.593 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.485 HG23 ' HA ' ' A' ' 127' ' ' PHE . 67.6 m -132.02 133.15 44.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.888 0.375 . . . . 0.0 110.805 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -109.41 130.69 55.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.2 tp -119.58 137.34 53.78 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 CA-C-O 121.447 0.641 . . . . 0.0 111.349 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 61.13 28.81 18.44 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.8 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.65 12.71 74.24 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.743 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -134.12 152.02 51.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.803 0.335 . . . . 0.0 110.805 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -65.22 142.96 58.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.401 HD13 ' HB3' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -73.52 130.76 40.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 28.8 m -117.39 -39.96 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.049 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -101.23 154.33 18.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.49 -29.58 22.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -104.21 70.36 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.042 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.426 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 4.7 t80 -84.04 139.09 32.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.755 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.538 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.6 tp -98.6 118.65 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-O 121.005 0.431 . . . . 0.0 111.382 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.557 HD11 HD11 ' A' ' 125' ' ' ILE . 8.4 tt -103.01 139.46 38.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -126.64 178.07 6.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.859 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.422 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 6.8 p-10 -58.0 137.66 56.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.947 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 76.14 39.81 31.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -104.8 137.26 42.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.349 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -106.23 118.89 37.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.557 HD11 HD11 ' A' ' 119' ' ' LEU . 1.5 mp -114.98 135.36 55.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 39.6 t -121.07 123.9 71.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.268 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.485 ' HA ' HG23 ' A' ' 105' ' ' THR . 5.5 m-85 -109.76 147.84 32.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.037 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.02 -64.66 0.71 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.52 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? 171.99 -42.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.814 0.34 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 59.5 p -105.92 -33.49 7.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 22.8 m -58.2 108.53 0.62 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 63.9 p -124.02 141.3 52.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -141.98 156.04 45.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 7.7 tt -126.1 115.07 19.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.737 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.552 ' HE1' HG21 ' A' ' 50' ' ' ILE . 88.7 t80 -92.08 141.78 28.23 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.946 0.879 . . . . 0.0 111.788 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.17 154.76 34.1 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 113.91 -1.495 . . . . 0.0 110.741 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.506 ' CD1' ' N ' ' A' ' 137' ' ' TYR . 0.5 OUTLIER -86.0 139.61 31.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.697 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.667 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . . . . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.081 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 . . . . . 0 CA--C 1.536 0.422 0 N-CA-C 110.632 -0.136 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.583 ' C ' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.33 129.77 24.02 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.713 0.292 . . . . 0.0 110.268 179.775 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.46 142.68 48.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.958 0.408 . . . . 0.0 111.333 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.518 HD21 ' OE1' ' A' ' 91' ' ' GLN . 0.4 OUTLIER -151.71 -47.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.476 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -128.64 155.33 20.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.132 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.489 ' ND1' ' HB3' ' A' ' 138' ' ' ALA . 18.5 m80 -120.54 161.98 20.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.947 0.403 . . . . 0.0 111.163 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 1.041 HD12 HD11 ' A' ' 50' ' ' ILE . 12.1 mt -127.04 124.12 38.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.625 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.6 t -101.49 121.71 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.085 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.436 ' HA ' ' CD2' ' A' ' 133' ' ' PHE . 0.0 OUTLIER -90.31 128.55 36.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.632 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 mt -107.92 106.63 16.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.627 HG23 ' HD2' ' A' ' 42' ' ' PRO . 37.9 mm -124.46 141.81 38.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.627 ' HD2' HG23 ' A' ' 41' ' ' ILE . 60.5 Cg_endo -75.99 72.39 5.26 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.223 1.948 . . . . 0.0 111.978 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 161.76 -26.78 0.26 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.413 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -178.68 122.26 0.09 Allowed 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -79.61 -174.03 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.02 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.18 141.01 3.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.817 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.04 122.96 49.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.4 t -117.96 150.96 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -105.18 131.97 51.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.041 HD11 HD12 ' A' ' 37' ' ' LEU . 36.6 mm -106.37 127.11 61.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.1 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.583 HG22 ' C ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -98.72 167.17 10.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.097 -179.855 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.456 ' H ' ' ND2' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -83.41 62.45 6.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.518 179.297 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.557 ' C ' ' H ' ' A' ' 55' ' ' VAL . 9.3 mtt180 -85.18 5.89 28.13 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.913 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.442 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 2.3 t-20 71.59 -36.98 0.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -178.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.557 ' H ' ' C ' ' A' ' 53' ' ' ARG . 67.5 t -137.48 135.66 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.85 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.718 HG23 ' CB ' ' A' ' 65' ' ' ASP . 88.4 m -125.22 130.19 51.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.963 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.9 137.71 41.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.923 0.392 . . . . 0.0 111.148 -179.679 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.774 HG22 HD11 ' A' ' 68' ' ' LEU . 4.8 mp -125.86 125.59 68.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.52 -132.04 2.47 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.431 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.85 -26.28 6.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.666 0.269 . . . . 0.0 111.267 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.472 ' HB2' HG23 ' A' ' 75' ' ' THR . 0.1 OUTLIER -46.85 145.17 2.09 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.947 0.403 . . . . 0.0 111.238 -179.856 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -26.34 62.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.158 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.3 p -81.26 -26.89 35.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.231 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.1 m -53.26 160.61 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.074 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.718 ' CB ' HG23 ' A' ' 56' ' ' THR . 4.3 m-20 -72.62 -58.34 3.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.935 0.397 . . . . 0.0 110.836 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -104.89 132.98 50.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.077 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.2 pt -108.73 106.18 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.188 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.841 HD22 ' CD1' ' A' ' 73' ' ' ILE . 5.1 mp -65.44 -177.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.15 39.18 4.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.199 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.404 ' HB2' ' HB ' ' A' ' 73' ' ' ILE . 0.8 OUTLIER -111.91 132.03 22.17 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.749 179.817 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.08 -14.29 42.91 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.453 2.102 . . . . 0.0 112.634 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -127.24 33.43 4.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 110.995 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.841 ' CD1' HD22 ' A' ' 68' ' ' LEU . 5.7 tp -82.38 140.17 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.4 m -67.84 131.49 45.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.099 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.472 HG23 ' HB2' ' A' ' 61' ' ' SER . 82.6 m -63.11 -44.03 96.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.469 ' O ' ' C ' ' A' ' 77' ' ' HIS . 5.5 m-85 -101.46 13.92 33.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.282 0.563 . . . . 0.0 111.368 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.469 ' C ' ' O ' ' A' ' 76' ' ' PHE . 2.7 t60 -15.81 -67.99 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.631 -1.168 . . . . 0.0 112.894 -179.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.407 ' HB3' ' HE2' ' A' ' 127' ' ' PHE . . . -152.85 164.04 38.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.091 0.472 . . . . 0.0 111.831 -179.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -132.71 136.87 46.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.285 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 56' ' ' THR . 6.1 m-85 -119.31 130.99 55.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.022 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.442 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 10.0 m-70 -96.23 116.32 28.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.888 0.375 . . . . 0.0 111.226 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.552 HD13 ' CG2' ' A' ' 50' ' ' ILE . 0.3 OUTLIER -106.48 109.42 21.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.714 179.448 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.3 tp -122.18 140.09 52.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.165 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -102.01 134.87 44.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.807 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.4 ttt -128.64 138.64 52.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.032 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -107.09 128.42 54.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -140.0 126.79 23.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.094 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.8 t0 73.58 -58.87 0.58 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.072 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -168.8 -42.58 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.832 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -79.21 179.88 7.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.676 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.518 ' OE1' HD21 ' A' ' 34' ' ' LEU . 3.0 pt20 -130.59 128.0 40.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.075 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -109.79 138.5 46.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.638 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -114.05 127.27 55.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.198 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.721 HD12 HD11 ' A' ' 118' ' ' ILE . 2.4 mm? -109.58 141.64 41.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.512 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.47 HD11 ' CE1' ' A' ' 135' ' ' PHE . 4.4 mp -113.19 141.02 30.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.287 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.86 144.08 44.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.71 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.407 HG12 HD11 ' A' ' 112' ' ' LEU . 16.4 t -109.71 125.88 66.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.233 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 34.1 mt -130.11 144.39 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.012 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -117.34 138.99 51.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.962 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.3 pttt -161.19 53.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -152.76 -176.44 5.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.35 -30.22 13.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.23 -36.72 73.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.253 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 87.05 150.88 19.19 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.373 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.433 ' HB ' HD12 ' A' ' 112' ' ' LEU . 4.4 m -131.93 125.84 32.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 110.82 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -110.93 117.2 32.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.482 HD13 HG13 ' A' ' 125' ' ' ILE . 3.2 tp -111.58 137.16 45.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.444 0.64 . . . . 0.0 111.228 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.5 m120 58.53 31.69 21.3 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.787 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.61 13.04 74.42 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.825 -0.702 . . . . 0.0 113.028 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -128.3 147.74 50.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.777 0.322 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -74.92 143.03 43.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.989 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.499 ' O ' HG13 ' A' ' 113' ' ' VAL . 18.9 mt -74.61 135.42 42.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 112' ' ' LEU . 12.3 m -158.11 -46.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.438 ' N ' HG23 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -60.57 -20.09 59.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.22 152.45 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.792 0.33 . . . . 0.0 110.832 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.7 t70 60.66 51.64 4.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.77 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.63 139.18 45.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.721 HD11 HD12 ' A' ' 94' ' ' LEU . 8.0 tp -98.5 120.48 47.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.907 HD11 HD11 ' A' ' 125' ' ' ILE . 6.2 tt -103.01 130.24 50.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.096 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.73 178.1 4.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.623 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.44 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 3.3 p-10 -57.03 145.05 31.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.405 ' HA2' HD21 ' A' ' 134' ' ' LEU . . . 68.19 36.5 85.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.397 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.54 135.35 49.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.767 0.317 . . . . 0.0 110.807 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -107.08 128.14 54.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.907 HD11 HD11 ' A' ' 119' ' ' LEU . 2.1 mp -118.86 134.43 62.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.056 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 29.7 t -110.49 124.37 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.17 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.441 ' HB3' ' CE1' ' A' ' 77' ' ' HIS . 48.7 m-85 -109.3 114.37 28.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 96.83 -71.08 0.78 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.593 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.05 -36.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.701 0.286 . . . . 0.0 111.057 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.01 -36.67 5.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.58 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 8.6 m -62.6 108.82 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.888 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 40.0 t -121.58 137.76 54.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.606 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.47 ' CD1' ' N ' ' A' ' 133' ' ' PHE . 1.5 m-85 -135.64 156.0 49.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.975 0.416 . . . . 0.0 111.241 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.579 HD23 ' N ' ' A' ' 135' ' ' PHE . 1.3 tt -121.31 140.05 52.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.641 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.579 ' N ' HD23 ' A' ' 134' ' ' LEU . 34.3 t80 -116.49 141.5 48.09 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 122.016 0.912 . . . . 0.0 111.925 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -154.57 148.41 25.55 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 113.761 -1.563 . . . . 0.0 110.831 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 121' ' ' ASN . 7.7 m-85 -76.46 139.8 40.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.022 0.439 . . . . 0.0 110.817 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.489 ' HB3' ' ND1' ' A' ' 36' ' ' HIS . . . . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.973 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 . . . . . 0 CA--C 1.538 0.487 0 N-CA-C 110.563 -0.162 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.581 ' O ' HG22 ' A' ' 51' ' ' THR . 1.0 OUTLIER -140.26 141.15 35.85 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.772 0.32 . . . . 0.0 110.512 179.587 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.866 ' O ' HD22 ' A' ' 34' ' ' LEU . 54.1 t -60.09 145.12 47.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.407 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.866 HD22 ' O ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -146.93 -46.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.494 179.733 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -157.65 174.69 35.06 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.14 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.412 ' CD2' ' O ' ' A' ' 48' ' ' VAL . 27.3 m80 -139.35 165.28 27.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.989 0.424 . . . . 0.0 111.139 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 1.08 HD11 HD11 ' A' ' 50' ' ' ILE . 3.2 mt -127.34 110.63 13.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.566 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.02 121.4 46.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 111.137 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -90.47 129.75 36.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.839 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 mp -98.07 106.36 18.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.91 0.386 . . . . 0.0 110.625 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.525 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 6.2 mt -124.65 140.37 35.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.66 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.525 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 55.8 Cg_endo -73.25 73.95 3.16 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.073 1.849 . . . . 0.0 111.947 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 159.69 -24.19 0.3 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.492 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -177.0 154.32 1.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.78 0.324 . . . . 0.0 110.813 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -109.85 157.06 19.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -133.31 135.98 45.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.782 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -113.11 135.07 54.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.087 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.412 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 25.9 t -118.94 149.62 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -100.84 132.49 46.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.033 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.08 HD11 HD11 ' A' ' 37' ' ' LEU . 33.2 mm -116.09 115.11 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.581 HG22 ' O ' ' A' ' 32' ' ' THR . 0.5 OUTLIER -102.57 168.09 9.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.5 179.731 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.465 HD22 HD23 ' A' ' 34' ' ' LEU . 3.8 p30 -76.96 62.67 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.983 0.421 . . . . 0.0 110.44 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.537 ' C ' ' H ' ' A' ' 55' ' ' VAL . 7.3 ttt85 -84.0 1.66 42.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.877 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.444 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 1.4 m-20 71.31 -38.19 0.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.537 ' H ' ' C ' ' A' ' 53' ' ' ARG . 66.6 t -137.49 134.44 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.18 179.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.555 HG23 ' HB3' ' A' ' 65' ' ' ASP . 48.3 m -125.46 119.96 29.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.905 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.537 HG23 ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -103.84 132.76 49.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.956 0.408 . . . . 0.0 111.14 -179.524 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.599 HG21 ' CD2' ' A' ' 127' ' ' PHE . 5.2 mp -115.6 119.75 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.6 -126.51 1.27 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.559 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.46 -28.96 3.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.633 0.254 . . . . 0.0 111.398 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.9 137.9 6.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.915 0.388 . . . . 0.0 111.363 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -30.08 71.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 76.7 p -74.99 -22.9 58.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.233 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.1 m -54.43 159.54 2.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.778 0.323 . . . . 0.0 111.089 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.555 ' HB3' HG23 ' A' ' 56' ' ' THR . 10.2 t70 -79.99 -49.95 11.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.961 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.434 HG12 HD23 ' A' ' 68' ' ' LEU . 22.0 t -125.04 106.81 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.435 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.9 pt -108.91 129.01 64.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.734 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.766 HD12 ' N ' ' A' ' 69' ' ' SER . 3.3 pp -175.53 -163.41 0.12 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.243 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.909 ' CB ' HD13 ' A' ' 73' ' ' ILE . 7.4 t 85.59 -68.52 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.087 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 176.24 167.91 0.41 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.07 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -63.93 -13.75 39.15 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.842 2.361 . . . . 0.0 112.637 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -98.67 24.82 7.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.784 0.326 . . . . 0.0 110.829 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.909 HD13 ' CB ' ' A' ' 69' ' ' SER . 2.2 tp -92.66 139.5 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.435 ' HB2' ' CG ' ' A' ' 77' ' ' HIS . 0.6 OUTLIER -53.36 131.18 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.306 -179.669 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.6 -44.03 79.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.618 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.462 ' O ' ' C ' ' A' ' 77' ' ' HIS . 64.2 m-85 -102.84 13.75 33.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.286 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.462 ' C ' ' O ' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -17.17 -70.88 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.556 -1.202 . . . . 0.0 112.705 -179.579 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.632 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . . . -152.01 164.02 38.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.98 0.419 . . . . 0.0 111.741 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.537 ' HG2' HG23 ' A' ' 57' ' ' THR . 7.4 mt-10 -132.84 133.12 42.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.624 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.727 ' CE1' HG13 ' A' ' 97' ' ' VAL . 28.9 m-85 -119.44 122.76 42.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.615 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.444 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 6.9 m-70 -94.83 116.38 28.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.937 0.398 . . . . 0.0 111.365 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.617 HD22 HG22 ' A' ' 50' ' ' ILE . 3.7 tp -106.61 109.65 21.63 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.644 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.38 140.18 52.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.6 ' OE1' HD21 ' A' ' 34' ' ' LEU . 16.1 mt-30 -108.29 126.23 52.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.723 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.19 135.38 43.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.975 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -107.03 135.95 47.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.7 t -140.04 122.47 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.5 t0 74.03 -58.87 0.57 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.079 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -173.94 -40.83 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.777 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -92.8 108.29 19.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.715 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -82.95 140.22 32.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.009 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -114.42 154.27 28.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.819 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -108.52 120.09 41.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.81 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 mp -108.08 134.47 50.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.766 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.486 HG13 HD12 ' A' ' 82' ' ' LEU . 3.9 mp -119.33 137.97 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.225 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.93 144.09 43.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.799 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.727 HG13 ' CE1' ' A' ' 80' ' ' PHE . 3.4 t -105.68 133.95 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.291 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 36.0 mt -130.04 120.95 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.02 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.6 127.95 55.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.945 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -158.64 55.86 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -143.49 177.69 8.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.68 -24.42 10.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.54 -28.8 22.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.443 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 106.26 129.92 6.44 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.515 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.453 HG23 ' CD1' ' A' ' 127' ' ' PHE . 88.5 m -132.06 124.72 29.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.853 0.359 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -120.96 114.94 22.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 124' ' ' ARG . 2.9 tp -117.27 137.38 51.38 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-O 121.458 0.646 . . . . 0.0 111.439 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 61.81 26.89 16.37 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.64 12.91 74.41 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.893 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -133.98 152.08 51.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.792 0.33 . . . . 0.0 110.784 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.45 133.32 42.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.5 tt -75.08 124.33 26.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.482 HG13 ' N ' ' A' ' 114' ' ' LYS . 11.1 p -121.33 -44.76 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.482 ' N ' HG13 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -91.29 148.8 22.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.902 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -87.48 166.52 14.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.991 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 25.8 t0 66.43 59.27 0.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.029 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.408 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 0.2 OUTLIER -84.03 139.05 32.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.695 179.723 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.572 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.4 tp -98.57 114.59 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-O 121.09 0.472 . . . . 0.0 111.312 -179.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.768 HD11 HD11 ' A' ' 125' ' ' ILE . 10.0 tt -103.12 136.48 42.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.443 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -132.13 178.14 7.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 22.0 p-10 -54.51 148.09 12.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.084 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 65.49 39.21 95.52 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.408 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -108.14 125.58 51.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.453 ' O ' HD12 ' A' ' 107' ' ' ILE . 79.8 mtt-85 -88.68 117.42 27.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.768 HD11 HD11 ' A' ' 119' ' ' LEU . 1.8 mt -114.83 134.91 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.671 HG13 ' O ' ' A' ' 131' ' ' CYS . 34.3 t -124.0 133.05 70.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.372 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.632 ' CZ ' ' HB3' ' A' ' 78' ' ' ALA . 10.1 m-85 -122.83 135.62 54.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.822 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 84.49 -69.11 3.39 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.301 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 168.95 -33.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.747 0.308 . . . . 0.0 111.092 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.49 -31.76 8.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.431 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . 0.671 ' O ' HG13 ' A' ' 126' ' ' VAL . 11.0 m -57.86 107.64 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.03 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 37.6 m -124.2 116.53 22.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -142.16 156.52 45.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.983 0.421 . . . . 0.0 111.225 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.578 HD21 ' HD2' ' A' ' 136' ' ' LYS . 6.5 tt -116.96 139.28 50.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.702 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.55 ' HD1' HD23 ' A' ' 37' ' ' LEU . 63.0 t80 -101.42 141.58 34.08 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.982 0.896 . . . . 0.0 111.902 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.578 ' HD2' HD21 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -154.34 146.42 23.66 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 113.873 -1.512 . . . . 0.0 110.844 179.755 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.431 ' CZ ' ' HB3' ' A' ' 121' ' ' ASN . 0.8 OUTLIER -76.56 139.59 40.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.377 . . . . 0.0 110.743 179.715 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.118 -179.932 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 . . . . . 0 CA--C 1.536 0.411 0 N-CA-C 110.861 -0.052 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.457 ' C ' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.31 129.45 23.63 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.786 0.327 . . . . 0.0 110.504 179.732 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.446 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.8 t -74.39 114.97 13.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.272 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.446 HD22 ' O ' ' A' ' 33' ' ' CYS . 2.8 mm? -124.6 -46.44 1.88 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.302 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -123.91 169.77 16.07 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.887 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.409 ' ND1' ' CB ' ' A' ' 138' ' ' ALA . 17.8 m80 -131.08 166.06 21.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.141 0.496 . . . . 0.0 111.374 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.826 HD23 HG13 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -126.66 116.41 20.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.527 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.6 t -95.94 121.8 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 111.206 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -90.13 116.05 27.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.76 106.83 18.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.806 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.528 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 35.6 mt -124.13 140.84 35.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.98 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.528 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 60.3 Cg_endo -75.07 89.25 1.18 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.24 1.96 . . . . 0.0 111.872 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.23 21.26 5.95 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.262 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.9 tttp 175.21 163.03 0.26 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.736 0.303 . . . . 0.0 110.57 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -145.98 150.0 35.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -143.33 137.06 28.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.99 123.09 49.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 19.7 t -111.6 139.9 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.223 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -82.0 134.22 35.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.826 HG13 HD23 ' A' ' 37' ' ' LEU . 28.0 mm -112.03 130.88 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.333 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.457 HG22 ' C ' ' A' ' 32' ' ' THR . 0.6 OUTLIER -108.96 167.96 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.605 179.785 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -67.27 -98.09 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.502 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.569 ' C ' ' H ' ' A' ' 55' ' ' VAL . 10.2 ttt85 73.73 -1.58 3.02 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.9 m120 70.28 -33.0 0.25 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.738 0.304 . . . . 0.0 110.185 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.569 ' H ' ' C ' ' A' ' 53' ' ' ARG . 67.6 t -135.95 145.18 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.663 HG23 ' HB3' ' A' ' 65' ' ' ASP . 31.5 m -125.42 132.73 52.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.238 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.38 129.76 54.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.858 0.361 . . . . 0.0 110.708 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.42 ' CG2' HD11 ' A' ' 68' ' ' LEU . 22.9 mt -123.79 133.96 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.287 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 162.49 -119.08 0.86 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.542 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.36 -33.07 2.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.717 0.294 . . . . 0.0 111.28 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.54 ' HB2' HG23 ' A' ' 75' ' ' THR . 0.3 OUTLIER -48.78 133.46 17.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.266 -179.845 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -63.73 -31.01 72.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.1 p -69.91 -23.99 63.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.114 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 90.6 m -57.64 155.95 9.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.849 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.663 ' HB3' HG23 ' A' ' 56' ' ' THR . 8.2 t0 -66.85 -51.04 60.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.96 0.41 . . . . 0.0 110.853 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.66 111.51 32.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.092 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.7 mp -94.44 127.8 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.802 HD22 ' CD1' ' A' ' 73' ' ' ILE . 6.2 mp -83.2 -176.71 6.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.9 m -123.26 28.62 7.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.354 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.442 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 2.4 tp10 -102.62 132.73 21.0 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.591 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.04 -13.72 41.13 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.643 2.229 . . . . 0.0 112.914 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -123.62 38.62 4.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.718 0.294 . . . . 0.0 111.23 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.802 ' CD1' HD22 ' A' ' 68' ' ' LEU . 5.6 tp -91.18 134.24 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.172 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.1 t -67.51 131.81 46.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.987 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.54 HG23 ' HB2' ' A' ' 61' ' ' SER . 61.4 m -59.52 -41.43 89.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.813 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.477 ' O ' ' C ' ' A' ' 77' ' ' HIS . 0.6 OUTLIER -104.01 13.76 31.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.182 0.515 . . . . 0.0 111.408 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.477 ' C ' ' O ' ' A' ' 76' ' ' PHE . 2.8 t60 -15.17 -67.8 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.655 -1.157 . . . . 0.0 112.891 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.86 164.02 39.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 111.506 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 56' ' ' THR . 3.7 pm0 -132.91 134.37 44.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.909 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.932 ' CZ ' HG13 ' A' ' 97' ' ' VAL . 5.6 m-85 -119.29 131.2 55.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.482 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.416 ' CE1' HG22 ' A' ' 55' ' ' VAL . 9.6 m-70 -94.68 116.12 28.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.968 0.413 . . . . 0.0 111.425 -179.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.601 HD12 HG23 ' A' ' 95' ' ' ILE . 0.3 OUTLIER -106.86 109.89 21.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.701 179.333 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 mt -121.47 140.08 52.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.09 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -109.29 127.85 54.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.784 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.6 ttm -120.77 143.09 49.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -101.26 117.75 35.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.3 t -140.08 131.12 31.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.25 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.19 49.16 11.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 55.6 26.46 9.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.093 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -132.29 -175.74 3.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.743 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -130.72 127.89 39.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.082 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.17 128.01 55.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.722 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -109.92 120.01 41.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.038 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.738 ' HG ' HD11 ' A' ' 118' ' ' ILE . 3.1 tp -123.69 135.26 53.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.537 179.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.655 ' HB ' HD23 ' A' ' 119' ' ' LEU . 3.9 mp -113.82 141.06 31.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 0.0 111.487 -179.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.417 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -114.49 144.15 43.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.51 179.781 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.932 HG13 ' CZ ' ' A' ' 80' ' ' PHE . 11.8 t -115.36 122.94 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 111.32 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.7 mp -130.05 143.35 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.984 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -117.05 139.01 51.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.51 21.31 16.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.3 m 57.28 73.9 0.44 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.823 0.344 . . . . 0.0 111.007 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -162.1 122.38 2.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 67.88 10.69 7.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.799 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 53.01 99.93 0.01 OUTLIER Glycine 0 C--N 1.333 0.368 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.864 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 76.6 m -103.97 122.93 46.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.313 . . . . 0.0 110.668 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -110.05 137.28 48.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.971 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.1 tp -123.12 137.29 57.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.454 0.645 . . . . 0.0 111.241 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 63.21 29.67 15.97 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.764 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.66 10.75 72.04 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.861 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -134.06 152.04 51.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.839 0.352 . . . . 0.0 110.839 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 41.2 mtm-85 -60.99 139.24 58.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 113' ' ' VAL . 1.4 tt -89.86 121.56 32.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.419 ' N ' HD23 ' A' ' 112' ' ' LEU . 13.7 p -117.0 -38.51 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.106 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -59.53 170.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.82 -32.05 8.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -122.03 80.11 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.077 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.42 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 2.9 t80 -84.07 139.31 32.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.714 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.738 HD11 ' HG ' ' A' ' 94' ' ' LEU . 8.2 tp -98.5 119.39 46.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.065 0.459 . . . . 0.0 111.429 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.655 HD23 ' HB ' ' A' ' 95' ' ' ILE . 1.3 tp -103.08 135.19 45.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -133.04 178.14 7.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.49 ' HB2' ' CE2' ' A' ' 137' ' ' TYR . 1.4 t30 -56.59 137.14 54.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.034 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 74.71 45.37 22.49 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.429 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -116.36 127.05 54.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 111.022 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 20.3 mtt-85 -87.73 122.67 31.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.498 HG21 ' CZ ' ' A' ' 127' ' ' PHE . 3.2 mp -119.49 121.94 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.4 t -108.08 123.95 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.064 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.498 ' CZ ' HG21 ' A' ' 125' ' ' ILE . 97.1 m-85 -114.08 122.77 47.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.793 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 92.23 -69.78 1.79 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.391 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt 173.62 -34.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.739 0.304 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 93.3 p -111.58 -36.78 5.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.283 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 8.9 m -64.46 108.06 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 111.054 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.5 t -124.11 121.0 33.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -123.4 156.04 36.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.98 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.435 HD23 ' HD3' ' A' ' 136' ' ' LYS . 4.1 tp -117.28 140.02 50.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.503 ' CG ' HD21 ' A' ' 119' ' ' LEU . 21.2 t80 -106.32 141.6 37.38 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-O 121.838 0.827 . . . . 0.0 111.667 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.435 ' HD3' HD23 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -154.48 157.32 38.22 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 113.979 -1.464 . . . . 0.0 111.192 -179.855 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.49 ' CE2' ' HB2' ' A' ' 121' ' ' ASN . 4.3 m-85 -86.09 140.02 30.61 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.96 0.409 . . . . 0.0 110.627 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.409 ' CB ' ' ND1' ' A' ' 36' ' ' HIS . . . . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.068 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 . . . . . 0 CA--C 1.537 0.454 0 N-CA-C 110.692 -0.114 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.23 128.72 22.77 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.742 0.306 . . . . 0.0 110.382 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -64.95 114.94 4.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.04 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.99 -40.21 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.782 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -140.86 170.02 24.68 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.427 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.684 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 31.2 m80 -131.84 164.33 26.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.86 0.362 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.572 HD23 ' HB ' ' A' ' 50' ' ' ILE . 2.5 mm? -123.78 134.77 53.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.662 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 133' ' ' PHE . 29.1 t -111.33 121.81 64.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -89.51 127.49 35.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.014 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 mp -93.42 106.54 18.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.907 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.427 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 39.4 mt -124.31 139.48 32.96 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.427 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 88.1 Cg_exo -47.31 92.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.419 2.079 . . . . 0.0 112.176 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.47 -111.69 3.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.075 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -57.34 143.04 41.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.757 0.313 . . . . 0.0 110.843 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -108.18 165.52 11.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -133.88 139.15 46.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -113.04 133.24 55.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.5 t -123.76 151.04 28.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.167 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -105.03 124.52 49.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.793 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.572 ' HB ' HD23 ' A' ' 37' ' ' LEU . 10.7 tt -116.12 132.17 66.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.013 0.435 . . . . 0.0 111.519 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.8 167.99 10.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.421 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.92 -87.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.282 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.527 ' C ' ' H ' ' A' ' 55' ' ' VAL . 12.0 ttt-85 72.88 -2.09 2.81 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 179.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.415 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 0.9 OUTLIER 71.23 -38.43 0.42 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.11 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.527 ' H ' ' C ' ' A' ' 53' ' ' ARG . 70.7 t -137.15 141.76 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.074 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.794 HG23 ' CB ' ' A' ' 65' ' ' ASP . 83.2 m -125.3 128.37 48.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.087 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.04 141.87 35.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.985 0.421 . . . . 0.0 111.274 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.705 HG13 ' HB3' ' A' ' 78' ' ' ALA . 6.1 mm -117.58 126.07 74.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.088 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 156.94 -160.32 30.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.692 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.495 ' HD3' HG22 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -97.87 -13.12 21.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.533 0.206 . . . . 0.0 111.193 -179.892 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.412 ' HB2' HG22 ' A' ' 75' ' ' THR . 0.2 OUTLIER -49.84 149.98 2.37 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.839 0.352 . . . . 0.0 111.13 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -71.31 -31.35 67.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.786 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.33 -18.1 43.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 3.3 m -54.07 155.22 3.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.77 0.319 . . . . 0.0 111.136 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.794 ' CB ' HG23 ' A' ' 56' ' ' THR . 0.3 OUTLIER -72.96 -57.93 3.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.729 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 t -110.58 127.57 67.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.156 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.5 pt -95.12 105.01 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.011 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 68' ' ' LEU . 3.3 mm? -61.01 -177.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.996 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 p -123.37 30.24 6.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.03 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.63 123.38 38.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.814 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -55.98 -18.99 24.29 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.498 2.132 . . . . 0.0 112.78 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -126.16 39.57 3.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.771 0.319 . . . . 0.0 111.187 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.495 HG22 ' HD3' ' A' ' 60' ' ' ARG . 3.9 tp -77.55 146.63 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.258 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.435 ' HB3' ' CG ' ' A' ' 77' ' ' HIS . 32.9 t -75.23 130.93 39.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.412 HG22 ' HB2' ' A' ' 61' ' ' SER . 1.7 m -61.45 -43.88 98.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 77' ' ' HIS . 98.3 m-85 -99.83 14.05 31.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.277 0.56 . . . . 0.0 111.575 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -20.25 -56.61 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.94 -179.288 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.705 ' HB3' HG13 ' A' ' 58' ' ' ILE . . . -152.68 163.95 38.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.102 0.477 . . . . 0.0 111.909 -179.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -141.64 122.06 14.06 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.51 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.679 ' HZ ' HD13 ' A' ' 125' ' ' ILE . 74.4 m-85 -119.32 131.21 55.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.141 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -94.73 116.23 28.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.754 0.311 . . . . 0.0 110.517 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 0.9 OUTLIER -106.59 109.54 21.48 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.137 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.11 140.05 53.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -106.33 135.63 47.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.75 120.15 9.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -83.94 133.62 34.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.2 t -140.01 124.63 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.019 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 74.48 -57.74 0.6 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.099 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.86 -41.78 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.813 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -83.38 155.41 23.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.712 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -85.71 127.92 34.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.997 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.72 115.13 29.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.668 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -113.97 125.25 53.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.957 0.408 . . . . 0.0 111.152 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.16 142.61 44.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.467 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.45 ' N ' HD12 ' A' ' 95' ' ' ILE . 4.4 mp -124.66 141.23 45.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.847 0.356 . . . . 0.0 111.393 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -114.01 144.03 43.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.491 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.569 HG13 ' CE1' ' A' ' 80' ' ' PHE . 43.9 t -109.47 122.48 64.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.011 0.434 . . . . 0.0 111.518 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.9 mp -130.26 120.88 50.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.469 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.596 ' HB2' HD13 ' A' ' 112' ' ' LEU . 81.1 m-20 -111.83 132.01 54.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.136 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.36 60.01 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.909 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.73 -175.5 2.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -112.19 -34.54 5.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -61.18 -71.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.255 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 161.03 127.29 0.88 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.499 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 61.0 m -131.98 125.96 32.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.816 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -120.98 129.86 53.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.74 HD13 HD12 ' A' ' 125' ' ' ILE . 3.3 tp -118.92 137.27 53.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 121.441 0.639 . . . . 0.0 111.259 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 61.21 27.57 17.29 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.81 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.7 9.8 70.5 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.843 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -134.07 152.0 51.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -70.4 142.64 52.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.596 HD13 ' HB2' ' A' ' 99' ' ' ASP . 0.6 OUTLIER -72.94 137.15 45.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.0 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.57 HG13 ' HG3' ' A' ' 114' ' ' LYS . 12.0 p -111.99 -31.6 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.055 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.57 ' HG3' HG13 ' A' ' 113' ' ' VAL . 9.6 mttt -122.26 174.69 6.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.773 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.91 32.48 5.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -148.05 56.23 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.053 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.527 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 2.0 t80 -84.06 139.61 32.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.502 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.1 tp -97.99 121.39 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.063 0.459 . . . . 0.0 111.352 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.561 HD23 ' N ' ' A' ' 120' ' ' LYS . 8.7 tt -102.97 135.83 43.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.082 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.561 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -131.54 177.0 7.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.707 179.839 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.441 ' HB2' ' CE2' ' A' ' 137' ' ' TYR . 33.3 t-20 -54.59 136.61 44.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.605 ' HA2' HD21 ' A' ' 134' ' ' LEU . . . 76.11 47.89 10.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.459 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -114.72 128.11 56.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.819 0.342 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.479 ' CG ' HD12 ' A' ' 134' ' ' LEU . 5.7 mtm180 -103.99 131.3 51.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.74 HD12 HD13 ' A' ' 107' ' ' ILE . 13.3 tt -131.06 138.05 54.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.668 HG22 ' OG ' ' A' ' 132' ' ' SER . 34.6 t -114.53 123.91 70.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.215 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.442 ' HB3' ' CE1' ' A' ' 77' ' ' HIS . 61.0 m-85 -106.77 141.83 37.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.836 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.87 -64.21 1.21 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.483 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 16.1 pttp 175.8 -49.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.74 0.305 . . . . 0.0 111.235 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 84.9 p -100.32 -35.38 9.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.442 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 30.6 m -57.08 108.02 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 111.061 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.668 ' OG ' HG22 ' A' ' 126' ' ' VAL . 5.8 m -124.02 134.64 53.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.776 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.414 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 20.4 m-85 -140.39 156.1 46.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.975 0.417 . . . . 0.0 111.141 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.605 HD21 ' HA2' ' A' ' 122' ' ' GLY . 3.6 tt -126.36 140.1 52.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.794 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.562 ' N ' HD23 ' A' ' 134' ' ' LEU . 67.0 t80 -106.35 141.88 36.94 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 122.018 0.914 . . . . 0.0 111.854 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.469 ' CD ' HD22 ' A' ' 134' ' ' LEU . 0.3 OUTLIER -154.15 134.73 13.54 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 113.914 -1.494 . . . . 0.0 110.675 179.766 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.508 ' CD1' ' N ' ' A' ' 137' ' ' TYR . 0.5 OUTLIER -68.31 139.59 55.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.964 0.411 . . . . 0.0 110.75 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.684 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . . . . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.528 ' N ' HG21 ' A' ' 51' ' ' THR . 3.2 m-85 . . . . . 0 CA--C 1.533 0.327 0 CA-C-O 120.334 0.111 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.544 ' N ' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.38 128.86 22.73 Favored 'General case' 0 C--O 1.231 0.13 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.592 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.44 119.16 8.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.892 0.377 . . . . 0.0 111.08 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.651 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -118.44 -38.97 3.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.661 179.801 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.47 ' C ' HG22 ' A' ' 50' ' ' ILE . . . -155.15 -169.3 19.52 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.296 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.512 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 52.0 m80 -146.38 162.1 38.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.971 0.415 . . . . 0.0 110.758 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.545 HD13 HG11 ' A' ' 66' ' ' VAL . 1.9 mt -127.23 107.87 10.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.748 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.588 HG22 ' HG3' ' A' ' 47' ' ' LYS . 20.3 t -98.83 121.89 49.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.563 ' O ' HD12 ' A' ' 41' ' ' ILE . 1.9 m-20 -89.75 120.83 31.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 mp -86.62 106.78 17.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.563 HD12 ' O ' ' A' ' 39' ' ' ASN . 2.8 mp -124.12 140.18 34.27 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.831 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.531 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 58.8 Cg_endo -74.5 89.16 1.11 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.151 1.9 . . . . 0.0 112.123 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.81 1.89 6.83 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.737 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.3 tttp 177.93 167.98 0.73 Allowed 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.788 0.327 . . . . 0.0 110.741 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -138.45 158.38 44.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.828 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.92 122.66 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.072 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.588 ' HG3' HG22 ' A' ' 38' ' ' VAL . 31.9 tttt -113.0 125.24 54.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.6 t -124.04 139.88 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.21 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -86.03 130.7 34.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.712 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.522 HG21 ' HE1' ' A' ' 135' ' ' PHE . 5.9 tt -116.12 132.06 66.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.042 0.449 . . . . 0.0 111.519 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.544 HG22 ' N ' ' A' ' 32' ' ' THR . 0.5 OUTLIER -102.1 168.14 9.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.416 179.781 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.09 -91.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.553 ' C ' ' H ' ' A' ' 55' ' ' VAL . 10.6 ttt180 72.8 -2.9 2.54 Favored 'General case' 0 N--CA 1.462 0.156 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.7 m120 70.4 -33.2 0.26 Allowed 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.553 ' H ' ' C ' ' A' ' 53' ' ' ARG . 64.8 t -136.17 138.59 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-O 121.041 0.448 . . . . 0.0 110.997 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.691 HG23 ' HB3' ' A' ' 65' ' ' ASP . 53.3 m -125.33 124.46 41.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.181 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.82 125.21 50.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 110.793 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.646 HG21 ' CE2' ' A' ' 127' ' ' PHE . 3.4 mp -107.84 125.02 64.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.18 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.63 -142.62 7.74 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.48 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.636 ' HD2' HG22 ' A' ' 73' ' ' ILE . 3.3 ttt85 -112.07 -23.74 10.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.717 0.294 . . . . 0.0 111.146 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.6 t -47.31 142.53 3.94 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.196 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.91 -22.43 66.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.7 m -86.22 -17.71 34.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.456 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 2.1 m -53.98 134.87 43.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.695 0.283 . . . . 0.0 111.117 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.691 ' HB3' HG23 ' A' ' 56' ' ' THR . 8.0 t70 -61.51 -44.8 96.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.904 0.383 . . . . 0.0 110.627 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.545 HG11 HD13 ' A' ' 37' ' ' LEU . 22.7 t -124.79 113.6 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.007 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.5 pt -96.01 130.04 45.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.221 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.842 HD13 HD11 ' A' ' 73' ' ' ILE . 0.6 OUTLIER -89.13 -177.2 5.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.81 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.2 m -120.64 59.26 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.21 121.31 22.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.782 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.46 -21.86 25.42 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.456 2.104 . . . . 0.0 112.611 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -123.01 35.02 4.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.069 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.842 HD11 HD13 ' A' ' 68' ' ' LEU . 2.4 tp -76.72 132.14 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.254 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.3 m -62.47 131.66 49.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.285 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.9 m -67.74 -43.93 78.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.905 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.462 ' O ' ' C ' ' A' ' 77' ' ' HIS . 3.5 m-85 -96.42 13.8 26.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.221 0.534 . . . . 0.0 111.334 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.462 ' C ' ' O ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -17.25 -73.71 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.572 -1.195 . . . . 0.0 112.952 -179.358 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -159.79 164.06 34.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.009 0.433 . . . . 0.0 111.917 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -126.6 131.4 51.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.554 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.891 ' CZ ' HG13 ' A' ' 97' ' ' VAL . 5.0 m-85 -119.32 131.19 55.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.742 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -94.77 116.26 28.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.874 0.369 . . . . 0.0 111.257 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -106.79 109.53 21.46 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.765 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.22 139.53 53.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.18 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.415 ' NE2' HD23 ' A' ' 34' ' ' LEU . 5.8 pt20 -129.08 128.86 44.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.766 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.28 132.43 20.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.982 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -107.07 138.29 43.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.764 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.4 p -140.04 137.79 38.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.208 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 67.93 -67.73 0.18 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.031 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 178.75 39.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.793 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -152.28 131.13 12.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.765 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -82.93 127.98 34.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.2 ttm-85 -115.79 110.94 19.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.625 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.408 ' OD1' HD11 ' A' ' 34' ' ' LEU . 5.9 m-80 -112.77 124.98 53.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.6 mp -131.98 137.24 47.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.712 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.473 ' N ' HD12 ' A' ' 95' ' ' ILE . 4.4 mp -118.85 137.7 51.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.272 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.549 ' OD1' HD11 ' A' ' 98' ' ' ILE . 19.6 t-20 -114.58 144.11 43.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.711 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.891 HG13 ' CZ ' ' A' ' 80' ' ' PHE . 21.7 t -107.32 135.08 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.451 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.549 HD11 ' OD1' ' A' ' 96' ' ' ASN . 24.6 mm -127.59 120.89 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.832 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.639 ' HB3' HD13 ' A' ' 112' ' ' LEU . 2.3 p30 -106.79 138.98 41.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.0 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -171.45 45.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -120.04 -176.31 3.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.97 -30.11 8.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.98 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -58.21 -75.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.224 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.58 128.69 2.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.474 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.747 ' HB ' HD12 ' A' ' 112' ' ' LEU . 4.0 m -127.6 123.09 34.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 0.0 110.799 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.431 ' CE2' ' HB3' ' A' ' 111' ' ' ARG . 8.0 m-85 -109.25 130.67 55.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.654 HG22 ' HG ' ' A' ' 112' ' ' LEU . 3.8 tp -123.08 137.27 57.08 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-O 121.484 0.659 . . . . 0.0 111.367 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 60.22 35.5 20.96 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.791 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.75 13.14 74.95 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.83 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -133.82 151.63 51.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.862 0.363 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.431 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -69.16 142.92 54.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.747 HD12 ' HB ' ' A' ' 105' ' ' THR . 3.8 mt -70.93 120.3 16.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 114' ' ' LYS . 11.4 p -122.81 -43.83 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.466 ' N ' HG13 ' A' ' 113' ' ' VAL . 4.0 mtmt -69.32 175.05 4.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.49 -29.26 8.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.047 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -118.84 76.27 1.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.951 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.428 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 0.8 OUTLIER -84.03 139.14 32.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.871 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.568 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.5 tp -98.41 116.43 41.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.1 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.644 HD21 ' CD2' ' A' ' 135' ' ' PHE . 3.8 tt -103.03 131.63 49.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.042 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.96 178.05 6.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.782 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 4.4 p-10 -61.37 141.26 57.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.95 51.49 23.69 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.515 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.528 ' C ' HD12 ' A' ' 134' ' ' LEU . 4.6 m-20 -121.84 127.17 50.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.811 0.338 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.469 ' O ' HD12 ' A' ' 107' ' ' ILE . 1.3 mtt180 -81.01 128.6 33.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.733 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.421 ' HB ' ' CE1' ' A' ' 133' ' ' PHE . 2.9 mp -127.24 138.01 56.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.2 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 38.0 t -123.35 133.94 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.079 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.646 ' CE2' HG21 ' A' ' 58' ' ' ILE . 5.2 m-85 -123.39 138.32 54.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.014 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 78.9 -65.82 3.47 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.483 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.9 pttm 172.42 -35.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.72 0.295 . . . . 0.0 111.036 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.19 -39.14 4.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.55 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 32.0 m -55.96 106.93 0.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.891 0.377 . . . . 0.0 111.197 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.4 m -124.3 128.09 48.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.85 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.421 ' CE1' ' HB ' ' A' ' 125' ' ' ILE . 16.2 p90 -141.98 156.05 45.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.917 0.389 . . . . 0.0 111.169 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.528 HD12 ' C ' ' A' ' 123' ' ' ASP . 4.3 tp -113.42 140.05 48.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.644 ' CD2' HD21 ' A' ' 119' ' ' LEU . 65.3 t80 -102.13 141.7 34.55 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.972 0.891 . . . . 0.0 111.82 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -154.35 151.75 29.42 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 113.874 -1.512 . . . . 0.0 110.802 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.439 ' CD1' ' N ' ' A' ' 137' ' ' TYR . 0.8 OUTLIER -82.74 139.81 33.4 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.009 0.433 . . . . 0.0 110.877 179.803 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.512 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . . . . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.843 0.354 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.55 168.28 20.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -136.19 32.52 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -150.84 128.98 11.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.14 154.13 42.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.4 p 59.25 -179.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -118.84 115.96 25.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.43 ' CB ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -94.68 -54.09 0.23 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.083 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.43 ' HD3' ' CB ' ' A' ' 26' ' ' LYS . 32.5 Cg_exo -57.85 159.01 18.8 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.444 2.096 . . . . 0.0 112.323 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.49 115.34 2.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.1 m -158.68 173.55 16.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 60.56 45.3 10.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.467 ' N ' HG21 ' A' ' 51' ' ' THR . 0.5 OUTLIER -57.92 -94.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.049 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.558 ' N ' HG22 ' A' ' 51' ' ' THR . 0.7 OUTLIER -140.32 129.82 24.1 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.747 0.308 . . . . 0.0 110.598 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.0 t -59.67 145.03 46.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.029 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.469 HD11 ' CG ' ' A' ' 93' ' ' ASN . 0.7 OUTLIER -159.14 -58.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -134.25 171.5 22.17 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.788 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.637 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 42.8 m80 -140.6 164.87 29.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.905 0.383 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 1.137 HD11 HD11 ' A' ' 50' ' ' ILE . 2.1 mt -125.78 123.01 37.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.619 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -105.69 121.85 58.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.189 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -89.97 117.27 28.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.789 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -85.35 106.61 16.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.647 HG22 ' HD2' ' A' ' 42' ' ' PRO . 1.7 mt -124.18 141.15 36.53 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.612 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.647 ' HD2' HG22 ' A' ' 41' ' ' ILE . 60.8 Cg_endo -74.55 -2.29 12.22 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.233 1.956 . . . . 0.0 112.743 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -127.74 2.34 6.95 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.676 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.96 -164.53 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.752 0.31 . . . . 0.0 110.55 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -153.73 156.17 37.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.785 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -137.23 130.38 30.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -113.2 127.66 56.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.742 HG11 HG22 ' A' ' 66' ' ' VAL . 22.0 t -114.32 150.9 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.016 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -102.32 131.13 49.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.02 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.137 HD11 HD11 ' A' ' 37' ' ' LEU . 49.0 mm -110.79 123.45 66.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.558 HG22 ' N ' ' A' ' 32' ' ' THR . 0.3 OUTLIER -104.05 168.38 9.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.242 -179.768 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.545 ' HA ' HD12 ' A' ' 82' ' ' LEU . 35.5 m-80 -80.46 60.68 3.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.354 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.565 ' C ' ' H ' ' A' ' 55' ' ' VAL . 4.9 ttt180 -86.41 -0.38 55.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.843 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.429 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 1.5 t30 72.07 -35.16 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -178.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.565 ' H ' ' C ' ' A' ' 53' ' ' ARG . 67.5 t -137.14 134.05 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.555 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.8 HG23 ' CB ' ' A' ' 65' ' ' ASP . 59.6 m -125.21 131.31 53.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.148 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.422 ' N ' ' HB2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.83 138.65 40.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.925 0.393 . . . . 0.0 111.287 -179.578 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.475 ' N ' HD12 ' A' ' 58' ' ' ILE . 4.4 mp -129.42 127.03 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.055 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.11 -141.21 6.66 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.549 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.529 ' HG3' HG22 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -101.7 -29.24 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.832 0.348 . . . . 0.0 111.038 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.69 ' HB2' HG23 ' A' ' 75' ' ' THR . 0.3 OUTLIER -54.26 123.43 12.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 -179.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.404 ' HA ' HG21 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -59.7 -27.58 66.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.9 m -69.89 -28.72 65.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.776 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.1 m -55.61 167.71 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.698 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.8 ' CB ' HG23 ' A' ' 56' ' ' THR . 0.5 OUTLIER -70.97 -58.0 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.006 0.432 . . . . 0.0 110.692 179.807 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.786 HG21 ' CD1' ' A' ' 37' ' ' LEU . 25.4 t -112.31 120.54 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.078 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.404 HG21 ' HA ' ' A' ' 62' ' ' ARG . 2.1 pt -102.28 104.95 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.049 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.576 HD12 HD11 ' A' ' 73' ' ' ILE . 87.1 mt -67.65 -177.69 0.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.3 m -118.81 41.2 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.17 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.401 ' CB ' ' HB ' ' A' ' 73' ' ' ILE . 0.6 OUTLIER -104.77 134.02 19.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.604 179.809 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.12 -13.95 41.6 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.488 2.125 . . . . 0.0 112.731 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -133.03 33.55 3.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.672 0.273 . . . . 0.0 111.19 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.576 HD11 HD12 ' A' ' 68' ' ' LEU . 5.2 tp -77.8 124.35 36.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.997 0.427 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.6 m -55.69 133.3 50.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.372 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.69 HG23 ' HB2' ' A' ' 61' ' ' SER . 84.1 m -62.16 -43.72 98.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.716 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.469 ' O ' ' C ' ' A' ' 77' ' ' HIS . 4.5 m-85 -101.6 13.82 33.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.399 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.489 ' CD2' ' CD2' ' A' ' 127' ' ' PHE . 3.0 t60 -17.02 -65.02 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.681 -1.145 . . . . 0.0 112.702 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.811 ' HB3' ' CE2' ' A' ' 127' ' ' PHE . . . -155.98 163.98 39.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.138 0.494 . . . . 0.0 111.881 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -126.65 139.34 53.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.264 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.49 ' CE1' HG13 ' A' ' 97' ' ' VAL . 2.4 m-85 -119.46 130.34 55.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.725 0.297 . . . . 0.0 111.025 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.463 ' HB2' ' HB3' ' A' ' 96' ' ' ASN . 11.5 m170 -95.08 116.99 29.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.872 0.368 . . . . 0.0 111.137 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.747 HD22 ' CD1' ' A' ' 95' ' ' ILE . 0.4 OUTLIER -105.39 109.43 21.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.422 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.1 tt -122.24 140.11 52.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.274 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -128.87 120.96 27.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.692 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.5 ttt -129.78 146.79 51.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -107.11 124.76 50.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.7 p -138.01 134.37 44.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 74.61 -58.38 0.58 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -174.74 -40.25 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.776 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -85.9 -176.41 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.738 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -118.47 127.99 54.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -109.03 118.15 36.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.695 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.469 ' CG ' HD11 ' A' ' 34' ' ' LEU . 3.5 m-80 -107.93 143.24 36.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.197 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.65 HD23 HD11 ' A' ' 118' ' ' ILE . 1.6 mp -129.87 144.37 51.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.559 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.747 ' CD1' HD22 ' A' ' 82' ' ' LEU . 10.6 mm -121.01 137.54 54.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.241 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.463 ' HB3' ' HB2' ' A' ' 81' ' ' HIS . 25.5 t-20 -120.87 134.8 55.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.711 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.49 HG13 ' CE1' ' A' ' 80' ' ' PHE . 13.4 t -102.2 131.94 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.17 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 31.6 mt -129.67 120.99 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.991 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.5 ' OD2' HD22 ' A' ' 112' ' ' LEU . 97.3 m-20 -109.04 124.45 50.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -16.58 63.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.13 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m 68.47 99.63 0.06 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -168.97 -63.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -85.52 -69.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.254 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 154.29 109.18 0.34 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.464 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 52.3 m -121.8 126.77 49.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.765 0.317 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -118.5 130.09 55.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.001 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 124' ' ' ARG . 3.2 tp -122.16 137.37 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.478 0.656 . . . . 0.0 111.219 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 62.25 29.36 17.38 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.79 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.76 13.09 74.98 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.844 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -133.58 152.12 51.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.829 0.347 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -71.07 139.61 50.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' A' ' 117' ' ' TYR . 4.2 tp -87.57 135.85 33.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.446 HG13 ' N ' ' A' ' 114' ' ' LYS . 11.7 p -121.59 -42.55 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.446 ' N ' HG13 ' A' ' 113' ' ' VAL . 2.0 mtpt -76.36 162.8 27.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -106.71 30.38 6.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -160.52 63.36 0.32 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.633 ' HB2' HD11 ' A' ' 112' ' ' LEU . 13.3 t80 -84.11 137.8 33.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.712 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.65 HD11 HD23 ' A' ' 94' ' ' LEU . 8.4 tp -98.66 118.05 44.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-O 120.962 0.41 . . . . 0.0 111.446 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.712 HD21 ' CD2' ' A' ' 135' ' ' PHE . 0.8 OUTLIER -103.17 137.58 41.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.966 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.41 178.06 6.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.722 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.451 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 9.1 p30 -56.11 141.02 42.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.183 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.91 51.37 24.46 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.449 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.57 ' C ' HD12 ' A' ' 134' ' ' LEU . 1.2 m-20 -125.44 121.67 34.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 111.055 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.612 ' HG2' HD13 ' A' ' 134' ' ' LEU . 7.7 mtt85 -81.35 132.46 35.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.719 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.516 HD11 HD11 ' A' ' 119' ' ' LEU . 1.5 mp -127.6 138.05 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.419 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.609 HG22 ' OG ' ' A' ' 132' ' ' SER . 22.0 t -123.88 123.95 68.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.887 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.811 ' CE2' ' HB3' ' A' ' 78' ' ' ALA . 3.1 m-85 -111.91 122.97 49.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.12 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 92.71 -70.19 1.63 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.558 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 175.57 -36.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.768 0.318 . . . . 0.0 111.091 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 84.1 p -108.34 -42.61 4.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.345 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 21.7 m -56.35 107.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.36 . . . . 0.0 111.064 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.609 ' OG ' HG22 ' A' ' 126' ' ' VAL . 0.4 OUTLIER -124.19 128.23 48.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.811 179.821 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.412 ' CE2' ' HB ' ' A' ' 125' ' ' ILE . 13.3 p90 -142.14 155.16 45.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.066 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.612 HD13 ' HG2' ' A' ' 124' ' ' ARG . 11.0 tp -112.08 140.01 47.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.714 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.712 ' CD2' HD21 ' A' ' 119' ' ' LEU . 84.4 t80 -105.29 141.42 36.85 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.872 0.844 . . . . 0.0 111.995 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -154.48 140.73 18.57 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 113.818 -1.537 . . . . 0.0 110.67 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.451 ' CE2' ' HB3' ' A' ' 121' ' ' ASN . 12.8 m-85 -71.89 140.06 49.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.066 0.46 . . . . 0.0 110.615 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.637 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . . . -91.56 -28.66 17.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.136 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 61.0 m 63.17 -79.79 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.061 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.5 t -157.69 -60.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 38.8 t -162.52 109.56 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 68.7 m -64.42 169.47 4.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.21 162.4 24.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.15 165.48 21.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.591 HG22 ' O ' ' A' ' 145' ' ' ILE . 3.2 mp -102.64 24.97 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 CA-C-O 121.651 0.739 . . . . 0.0 111.257 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -86.49 -36.62 18.9 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.55 -1.204 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -130.2 32.23 4.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -126.93 89.16 2.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.35 149.9 33.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -113.58 104.22 12.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -90.85 145.08 25.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 9.3 m -81.86 120.68 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 15.0 t -171.51 -46.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 49.1 m -106.08 26.91 9.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 56.33 78.08 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.995 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.39 -45.05 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.816 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -134.77 -174.87 3.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 66.6 m -152.76 32.83 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 30.6 m120 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.813 0.339 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 29.3 mm -105.39 113.94 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' TPO . . . . . 0.582 ' O3P' HG22 ' B' ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -66.02 132.6 94.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -56.08 -165.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.466 2.11 . . . . 0.0 112.235 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' TPO . . . . . 0.479 HG23 ' N ' ' B' ' 9' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.479 ' N ' HG23 ' B' ' 8' ' ' TPO . 0.9 OUTLIER -140.93 173.27 11.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -86.95 161.56 18.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 5.0 m -124.33 170.14 11.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.845 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.808 0.337 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 61.69 30.41 18.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.12 -43.73 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.165 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -156.9 145.36 19.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.966 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -117.47 -176.54 3.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.41 97.48 3.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -148.22 131.64 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -117.1 95.65 47.55 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -57.87 140.97 95.61 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.559 2.173 . . . . 0.0 112.208 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -70.76 67.63 0.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 98.0 p -178.12 -54.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 62.17 32.15 17.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.749 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.433 ' HB2' ' CG2' ' A' ' 51' ' ' THR . 28.2 m-85 -122.65 -123.09 0.27 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.582 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.24 129.82 24.22 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-O 120.76 0.314 . . . . 0.0 110.47 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.99 140.84 56.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.015 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tp -138.04 -45.78 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.803 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.764 ' O ' HG22 ' A' ' 50' ' ' ILE . . . -159.78 -174.8 30.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.478 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.417 ' CD2' ' HA ' ' A' ' 49' ' ' GLU . 43.1 m80 -143.15 159.84 41.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.957 0.408 . . . . 0.0 110.996 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.588 ' CD1' HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -127.28 108.3 10.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.55 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.532 HG22 ' HG3' ' A' ' 47' ' ' LYS . 24.5 t -99.81 121.82 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.323 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.474 ' OD1' HD11 ' A' ' 68' ' ' LEU . 32.6 m-80 -90.15 131.67 35.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.751 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.471 ' O ' HD13 ' A' ' 41' ' ' ILE . 1.2 mp -97.99 106.89 19.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.471 HD13 ' O ' ' A' ' 40' ' ' LEU . 27.7 mm -123.43 134.54 25.29 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.986 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -51.21 -25.57 17.76 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.52 2.147 . . . . 0.0 112.669 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.467 ' H ' HG22 ' A' ' 41' ' ' ILE . . . -87.04 -27.2 29.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.611 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.3 tttm 176.32 -168.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.798 0.332 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -131.45 164.89 24.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.729 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.93 118.04 6.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.532 ' HG3' HG22 ' A' ' 38' ' ' VAL . 14.6 ttmm -107.94 124.57 50.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.7 t -120.49 137.59 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.417 ' HA ' ' CD2' ' A' ' 36' ' ' HIS . 4.1 tm-20 -82.04 137.67 35.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.705 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.764 HG22 ' O ' ' A' ' 35' ' ' GLY . 2.3 tt -116.0 132.13 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.075 0.464 . . . . 0.0 111.351 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.433 ' CG2' ' HB2' ' A' ' 31' ' ' TYR . 0.5 OUTLIER -106.96 168.07 9.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.853 -179.77 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -74.28 64.78 1.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.516 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.538 ' C ' ' H ' ' A' ' 55' ' ' VAL . 13.8 ttt180 -80.42 -0.18 36.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.946 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.414 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 54.7 t30 71.81 -35.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -178.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.538 ' H ' ' C ' ' A' ' 53' ' ' ARG . 61.5 t -137.25 137.15 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.489 HG23 ' CG ' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -125.25 120.3 30.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.98 179.576 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.407 ' C ' HD12 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -103.6 128.58 50.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.987 0.422 . . . . 0.0 111.243 -179.303 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.784 HG21 ' CE2' ' A' ' 127' ' ' PHE . 3.3 mp -115.52 126.1 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.432 ' HA2' HG13 ' A' ' 73' ' ' ILE . . . 165.74 -133.13 2.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.405 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.836 ' HG2' HG22 ' B' ' 5' ' ' TPO . 0.1 OUTLIER -117.43 -28.19 6.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.699 0.285 . . . . 0.0 111.203 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.692 ' HB2' HG23 ' A' ' 75' ' ' THR . 0.1 OUTLIER -46.56 125.49 7.09 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.17 -179.742 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -55.38 -27.45 47.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.822 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 m -76.88 -23.41 52.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.201 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 69.4 m -54.13 160.23 1.63 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.723 0.297 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.509 ' OD1' HG23 ' A' ' 66' ' ' VAL . 7.7 t0 -74.72 -56.34 4.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.12 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.588 HG11 ' CD1' ' A' ' 37' ' ' LEU . 19.6 t -125.08 133.18 70.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.689 -179.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.8 pt -98.83 131.01 46.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.502 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.474 HD11 ' OD1' ' A' ' 39' ' ' ASN . 0.3 OUTLIER -128.25 133.94 48.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 111.507 -179.519 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.62 ' O ' ' HB2' ' A' ' 70' ' ' GLU . 0.6 OUTLIER 67.52 -69.45 0.14 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.636 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.62 ' HB2' ' O ' ' A' ' 69' ' ' SER . 0.0 OUTLIER 98.73 -64.63 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.718 0 O-C-N 124.258 0.974 . . . . 0.0 112.15 179.415 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.603 ' HD3' ' HB3' ' A' ' 70' ' ' GLU . 35.8 Cg_exo -59.84 -40.06 66.57 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.057 1.838 . . . . 0.0 113.428 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -116.47 32.66 6.0 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.434 ' CG2' ' HB2' ' A' ' 60' ' ' ARG . 4.4 tp -108.97 131.43 59.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.954 0.407 . . . . 0.0 111.382 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' A' ' 77' ' ' HIS . 66.3 m -78.27 134.09 37.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.182 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.692 HG23 ' HB2' ' A' ' 61' ' ' SER . 88.3 m -57.48 -32.77 67.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.781 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 77' ' ' HIS . 1.7 m-85 -112.11 14.05 20.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.417 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.463 ' CD2' ' CD1' ' A' ' 127' ' ' PHE . 12.3 t60 -27.15 -70.99 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.794 -1.094 . . . . 0.0 112.731 -179.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -147.79 164.07 34.77 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -135.75 130.54 34.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.984 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.901 ' CZ ' HG13 ' A' ' 97' ' ' VAL . 6.5 m-85 -119.3 131.18 55.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.143 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.414 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 13.9 m-70 -94.85 116.58 28.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.096 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.36 109.77 21.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 15.6 mt -122.12 140.03 53.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.961 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.37 135.6 54.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.819 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -151.99 144.51 24.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.977 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -101.03 128.72 46.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.423 HG12 ' HB2' ' A' ' 92' ' ' ARG . 12.1 p -139.7 135.13 39.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 t0 60.13 40.96 17.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.3 t30 60.2 31.26 20.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -142.23 158.2 44.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -86.52 127.94 34.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.423 ' HB2' HG12 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -114.97 117.66 31.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -110.33 124.19 51.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.996 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.401 ' CD1' ' HG3' ' A' ' 92' ' ' ARG . 1.3 mp -129.71 125.74 36.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.759 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.502 HD13 HD23 ' A' ' 119' ' ' LEU . 4.2 mp -112.96 137.19 46.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.226 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.01 125.5 54.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.645 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.901 HG13 ' CZ ' ' A' ' 80' ' ' PHE . 21.3 t -95.96 135.02 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.41 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.4 mm -121.01 143.66 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.823 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -105.47 116.76 32.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.011 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -143.69 31.15 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.793 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.422 ' OG ' ' CG ' ' A' ' 77' ' ' HIS . 16.8 m -102.96 161.08 14.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.037 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.85 -29.78 7.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.729 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -74.22 -63.83 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.277 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 167.57 134.58 1.73 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.634 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.404 HG23 ' HD1' ' A' ' 127' ' ' PHE . 90.0 m -132.12 122.96 26.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.614 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -118.56 124.7 48.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.041 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.829 HG21 HD12 ' A' ' 112' ' ' LEU . 3.0 tp -123.1 137.24 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.526 0.679 . . . . 0.0 111.321 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 59.27 27.83 16.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.789 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.63 9.27 69.17 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.814 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -134.07 152.06 51.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.805 0.336 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.37 133.89 47.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.829 HD12 HG21 ' A' ' 107' ' ' ILE . 0.9 OUTLIER -77.12 141.47 40.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.761 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 15.9 m -154.74 153.55 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.301 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 70.77 6.76 5.97 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.616 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? 46.47 -169.79 0.01 OUTLIER 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.949 0.404 . . . . 0.0 111.344 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.1 t70 52.91 48.03 23.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.284 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.411 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 39.6 t80 -84.1 138.51 33.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.78 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.534 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.4 tp -98.63 119.24 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.339 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.619 HD11 HD11 ' A' ' 125' ' ' ILE . 5.0 tt -103.24 144.71 30.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -132.68 178.05 7.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.754 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 11.6 p-10 -61.01 147.97 41.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 66.83 43.01 92.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -112.92 136.36 52.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.32 . . . . 0.0 110.94 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.443 ' O ' HD12 ' A' ' 107' ' ' ILE . 0.0 OUTLIER -93.84 119.85 33.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.619 HD11 HD11 ' A' ' 119' ' ' LEU . 2.3 mt -115.04 132.09 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.062 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 29.5 t -124.02 133.97 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.305 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.784 ' CE2' HG21 ' A' ' 58' ' ' ILE . 7.1 m-85 -118.16 142.66 47.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.53 -64.77 0.81 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.527 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 171.74 -37.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.795 0.331 . . . . 0.0 110.983 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 68.9 p -104.08 -43.15 5.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.331 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 79.6 m -53.17 104.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.851 0.358 . . . . 0.0 111.265 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.2 m -124.5 132.33 53.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.918 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.449 ' CZ ' ' CG2' ' A' ' 125' ' ' ILE . 2.6 p90 -142.04 156.23 45.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.218 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 5.9 tp -114.98 134.0 55.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.704 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.588 ' HE1' HG21 ' A' ' 50' ' ' ILE . 93.0 t80 -108.99 141.55 40.93 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 121.991 0.9 . . . . 0.0 111.757 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp -154.57 148.86 26.05 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-N 113.822 -1.535 . . . . 0.0 110.806 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.478 ' CD1' ' N ' ' A' ' 137' ' ' TYR . 1.0 OUTLIER -74.42 139.77 44.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.991 0.425 . . . . 0.0 110.717 179.715 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -128.52 99.39 5.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.173 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.1 m -144.04 -48.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 2.0 m -161.93 149.93 14.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.953 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 57.3 p -141.71 117.65 10.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 52.3 p -164.58 -44.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 1.1 p -84.54 146.67 27.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.01 -17.88 15.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.605 HG22 ' O ' ' A' ' 145' ' ' ILE . 18.3 mt -100.21 25.04 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.354 0 CA-C-O 121.685 0.755 . . . . 0.0 111.508 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -159.64 32.56 0.19 Allowed 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -145.15 -47.62 0.23 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -130.75 34.84 4.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -132.89 120.29 21.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -148.95 -67.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -116.38 173.0 6.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 23.9 m -147.29 139.07 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.178 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 31.3 t -100.96 146.07 27.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 41.0 t -123.19 -44.9 2.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -137.98 154.55 49.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 1.1 m 60.33 101.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -125.1 31.59 5.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 48.4 t -145.78 31.52 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.934 179.942 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 t30 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.852 0.358 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 9.2 tp -147.65 150.64 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' TPO . . . . . 0.836 HG22 ' HG2' ' A' ' 60' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.406 ' HB3' ' HD2' ' B' ' 7' ' ' PRO . 2.5 mt-30 -114.82 156.46 44.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.715 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' B' ' 6' ' ' GLN . 18.3 Cg_endo -59.48 -166.34 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.494 2.129 . . . . 0.0 112.158 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -125.44 -173.97 2.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.824 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -78.15 159.47 28.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.07 134.29 27.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.4 t . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.89 179.911 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.849 0.357 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.0 mmt85 -124.74 31.55 5.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -122.88 38.31 4.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -130.01 168.67 16.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 60.19 177.64 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -92.79 172.09 8.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -154.72 128.09 8.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.49 153.43 38.57 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.787 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.54 154.72 68.24 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.559 2.173 . . . . 0.0 112.304 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.1 m -67.39 95.77 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m -155.17 140.37 17.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.434 ' C ' ' CG ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -78.37 166.79 22.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.434 ' CG ' ' C ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER 62.53 120.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.44 0.638 . . . . 0.0 110.74 -179.626 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.3 131.5 42.74 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.636 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.8 t -59.99 120.62 10.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.004 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.53 HD22 ' OD1' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -116.43 -39.79 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.73 179.851 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.93 154.0 20.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.379 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.451 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 28.8 m80 -118.92 161.68 19.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 111.034 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 1.093 HD12 HD11 ' A' ' 50' ' ' ILE . 17.7 mt -126.64 119.17 26.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.777 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.95 121.95 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.065 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -90.11 133.99 34.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.5 mt -117.48 107.02 13.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.401 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 2.8 mp -123.16 138.92 30.63 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.074 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.401 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 54.3 Cg_exo -52.11 90.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.512 2.141 . . . . 0.0 112.312 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.49 40.63 4.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 tttt 179.46 176.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 110.935 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -169.43 144.72 3.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -147.72 136.54 21.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -106.85 125.02 50.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.615 HG11 HG13 ' A' ' 66' ' ' VAL . 22.0 t -116.97 118.78 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.056 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.0 138.71 44.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.956 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.093 HD11 HD12 ' A' ' 37' ' ' LEU . 31.1 mm -113.93 125.23 71.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.567 ' O ' HD23 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -104.61 167.8 9.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.797 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -76.3 63.52 1.94 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.093 0.473 . . . . 0.0 110.659 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.541 ' C ' ' H ' ' A' ' 55' ' ' VAL . 15.7 ttt180 -83.87 2.25 39.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.605 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 71.66 -36.87 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -179.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.541 ' H ' ' C ' ' A' ' 53' ' ' ARG . 67.0 t -137.33 138.33 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.095 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.666 HG23 ' HB3' ' A' ' 65' ' ' ASP . 37.9 m -125.36 121.67 34.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.923 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.73 123.68 47.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.046 0.45 . . . . 0.0 111.031 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.3 mt -111.86 116.72 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.095 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.29 -149.88 11.07 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.419 ' HB2' ' CG2' ' A' ' 73' ' ' ILE . 0.8 OUTLIER -94.91 -25.73 16.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.655 0.264 . . . . 0.0 111.251 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.14 150.21 0.85 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.88 0.371 . . . . 0.0 111.368 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -39.14 61.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.749 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.07 -14.7 62.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.326 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 15.1 m -52.98 137.06 33.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.751 0.31 . . . . 0.0 111.122 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.666 ' HB3' HG23 ' A' ' 56' ' ' THR . 8.5 t70 -61.2 -42.98 99.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.731 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.615 HG13 HG11 ' A' ' 48' ' ' VAL . 21.6 t -124.16 125.89 71.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.031 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.3 pt -100.65 127.17 54.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.895 HD21 ' CZ ' ' A' ' 133' ' ' PHE . 0.5 OUTLIER -81.04 -165.79 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.1 p -136.32 23.45 3.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.495 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.444 ' HG2' HD13 ' A' ' 73' ' ' ILE . 10.9 pt-20 -116.44 132.55 23.27 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-O 120.54 0.209 . . . . 0.0 110.838 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 24.5 Cg_exo -63.35 -13.52 36.52 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.669 2.246 . . . . 0.0 113.155 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -106.44 29.53 6.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.67 0.271 . . . . 0.0 111.208 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.444 HD13 ' HG2' ' A' ' 70' ' ' GLU . 5.4 tp -89.26 126.36 42.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.938 0.399 . . . . 0.0 111.227 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 77' ' ' HIS . 0.9 OUTLIER -69.92 134.06 47.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.233 -179.581 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 m -60.01 -31.5 69.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.838 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 77' ' ' HIS . 2.2 m-85 -112.05 14.03 20.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.259 0.552 . . . . 0.0 111.467 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.442 ' CE1' ' HB3' ' A' ' 127' ' ' PHE . 2.5 t-160 -24.37 -68.87 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.676 -1.147 . . . . 0.0 112.619 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -150.37 158.28 43.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.098 0.475 . . . . 0.0 111.984 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.526 ' O ' HD12 ' A' ' 98' ' ' ILE . 3.1 mt-10 -130.27 133.38 46.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.272 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.913 ' CE2' HG22 ' A' ' 97' ' ' VAL . 9.6 m-85 -119.31 131.06 55.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.132 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -95.57 116.36 28.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.918 0.389 . . . . 0.0 111.035 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.896 HD22 HG22 ' A' ' 50' ' ' ILE . 11.7 tp -106.51 109.74 21.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.1 mt -122.11 140.02 53.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.956 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -119.94 127.11 52.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.763 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.19 149.5 34.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.813 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -105.23 115.99 31.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.1 m -114.13 132.48 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 t70 74.87 -58.58 0.57 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.053 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -174.55 -39.74 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.88 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -86.52 157.2 19.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.786 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -86.89 129.54 34.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.067 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.37 126.15 53.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.732 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.53 ' OD1' HD22 ' A' ' 34' ' ' LEU . 3.7 m120 -110.95 124.51 52.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.161 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.6 mp -118.33 145.25 45.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.512 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.449 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.7 mp -127.26 141.04 47.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.854 0.359 . . . . 0.0 111.25 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.95 144.09 44.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.607 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.913 HG22 ' CE2' ' A' ' 80' ' ' PHE . 21.2 t -114.29 127.71 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.295 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 79' ' ' GLU . 3.5 mt -122.56 122.54 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.748 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.822 ' OD2' HD21 ' A' ' 112' ' ' LEU . 6.3 m-20 -107.62 128.23 54.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.226 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.12 34.82 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.759 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.25 -168.84 2.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.959 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -109.96 -35.54 6.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -81.87 -54.22 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 137.47 150.07 5.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.688 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.555 HG21 ' CE1' ' A' ' 127' ' ' PHE . 90.3 m -132.09 139.03 48.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.727 0.298 . . . . 0.0 110.687 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -119.39 138.74 52.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.012 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.821 HG22 HD22 ' A' ' 112' ' ' LEU . 3.0 tp -122.93 137.39 56.57 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 CA-C-O 121.576 0.703 . . . . 0.0 111.224 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 60.85 30.65 19.78 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.63 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.74 12.1 73.97 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.841 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -134.04 146.35 50.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.845 0.355 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.98 131.11 40.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.822 HD21 ' OD2' ' A' ' 99' ' ' ASP . 0.9 OUTLIER -100.15 143.76 29.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 17.7 m -112.27 -32.3 2.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -68.01 169.66 9.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.818 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.93 -30.13 7.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -99.97 66.46 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.949 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.404 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 24.9 t80 -84.1 139.25 32.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.708 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.632 HD13 ' C ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -98.66 119.81 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 -179.669 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.541 ' N ' HD13 ' A' ' 118' ' ' ILE . 8.2 tt -103.0 142.49 34.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.855 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.458 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.7 OUTLIER -132.61 178.1 7.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.804 179.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.444 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 8.1 p30 -58.07 143.71 42.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.99 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 68.22 49.14 48.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.433 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.6 121.42 37.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.804 0.335 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 28.1 mtm180 -96.27 122.36 39.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.629 HD13 ' HZ ' ' A' ' 80' ' ' PHE . 6.0 tt -120.86 137.88 53.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 22.7 t -114.81 124.97 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.295 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.555 ' CE1' HG21 ' A' ' 105' ' ' THR . 96.9 m-85 -111.46 149.83 30.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.823 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.49 -64.43 0.81 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.528 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.6 -38.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.724 0.297 . . . . 0.0 111.065 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.0 p -113.49 -36.35 4.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.286 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 133' ' ' PHE . 99.6 m -54.88 107.58 0.31 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.172 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 38.2 t -124.1 131.93 53.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.895 ' CZ ' HD21 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -132.49 156.01 47.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.987 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.7 tt -125.74 118.6 25.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.509 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.444 ' HD2' HD21 ' A' ' 119' ' ' LEU . 70.7 t80 -94.45 141.68 28.31 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 122.035 0.921 . . . . 0.0 112.099 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -154.31 149.53 27.01 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 113.821 -1.536 . . . . 0.0 110.672 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.509 ' CD1' ' N ' ' A' ' 137' ' ' TYR . 0.4 OUTLIER -83.81 139.37 32.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.371 . . . . 0.0 110.798 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.451 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . . . -106.77 -38.0 6.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.099 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 49.6 m -96.6 101.35 12.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.4 p -176.66 -50.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 16.3 m -135.51 113.16 10.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.0 101.13 9.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 8.9 t -79.03 144.79 34.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.9 112.76 6.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.608 HG22 ' O ' ' A' ' 145' ' ' ILE . 3.3 mp -115.01 24.95 4.5 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 CA-C-O 121.72 0.771 . . . . 0.0 111.351 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.76 87.67 2.73 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 114.575 -1.193 . . . . 0.0 110.854 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.99 129.69 40.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.44 121.98 36.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -94.24 88.72 5.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -106.75 -37.66 6.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -145.13 113.42 6.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 15.9 m -93.21 134.2 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 33.1 t -70.42 171.21 10.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.1 t -142.28 31.63 1.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -145.21 -66.58 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -175.01 115.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.68 107.31 10.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.72 152.4 21.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.76 0.314 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.6 pt -135.71 168.54 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.05 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' TPO . . . . . 0.402 ' O3P' ' HA ' ' B' ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -74.66 149.36 85.96 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.81 -167.76 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.543 2.162 . . . . 0.0 112.293 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -141.5 67.62 1.34 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 59.67 179.63 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 7.8 m -148.84 129.61 14.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.2 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.935 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.858 0.361 . . . . 0.0 111.244 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.03 -45.88 63.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.979 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -162.31 147.19 12.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.6 -44.95 1.65 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.6 mtt-85 -150.36 145.67 26.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.9 m -93.18 48.01 1.3 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.818 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -95.16 156.1 16.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -166.04 91.66 0.84 Allowed Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -57.99 146.6 86.51 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.527 2.151 . . . . 0.0 112.234 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.74 -58.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.7 p -102.81 -179.17 3.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -92.62 160.76 14.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.427 ' CE2' ' HG3' ' A' ' 53' ' ' ARG . 28.2 m-85 -93.09 -105.25 0.12 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.816 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.2 128.54 22.59 Favored 'General case' 0 C--O 1.23 0.06 0 CA-C-O 120.693 0.283 . . . . 0.0 110.615 179.705 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.6 t -69.74 145.01 52.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.247 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.602 HD11 ' CG ' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -154.31 -57.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 179.826 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.44 163.21 29.51 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.818 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.426 ' CD2' ' HB3' ' A' ' 49' ' ' GLU . 9.4 m80 -130.94 155.46 46.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.84 0.352 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.941 HD21 HD11 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -127.05 132.77 50.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.54 179.667 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.1 t -103.61 129.26 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.395 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -90.0 113.92 25.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.73 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.6 mt -84.39 106.87 16.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.528 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 12.0 mt -124.28 140.35 34.82 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.806 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.528 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 57.8 Cg_endo -73.9 86.3 1.26 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.157 1.905 . . . . 0.0 112.029 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.74 -11.21 3.42 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.502 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -179.21 166.09 1.5 Allowed 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 120.76 0.314 . . . . 0.0 110.805 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.55 154.13 50.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.991 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.86 129.13 31.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -113.11 120.91 42.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.9 t -119.37 140.32 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.426 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 19.0 pm0 -90.93 134.58 34.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.15 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.941 HD11 HD21 ' A' ' 37' ' ' LEU . 31.0 mm -101.68 117.94 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.815 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -97.08 168.28 10.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.186 -179.722 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.516 ' OD1' HD12 ' A' ' 82' ' ' LEU . 25.8 m-80 -86.23 68.0 10.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.394 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.566 ' C ' ' H ' ' A' ' 55' ' ' VAL . 24.2 ttt-85 -90.98 4.27 52.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.888 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.441 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 1.2 t-20 71.66 -35.92 0.34 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.566 ' H ' ' C ' ' A' ' 53' ' ' ARG . 88.8 t -137.28 139.06 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.39 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.528 HG22 ' CB ' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -125.2 130.93 53.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.375 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.69 133.62 48.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.958 0.408 . . . . 0.0 110.872 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.445 HD12 ' CE1' ' A' ' 80' ' ' PHE . 27.1 mt -125.98 121.58 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.296 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.64 -137.32 4.15 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.156 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.622 ' HG3' HG22 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -111.34 -19.62 12.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.61 0.243 . . . . 0.0 111.117 179.815 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.68 ' HB2' HG23 ' A' ' 75' ' ' THR . 0.1 OUTLIER -53.45 151.12 5.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.858 0.361 . . . . 0.0 111.042 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -75.61 -38.34 59.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.95 -19.98 63.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.228 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 40.1 m -53.91 157.24 2.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.528 ' CB ' HG22 ' A' ' 56' ' ' THR . 0.7 OUTLIER -74.42 -59.96 2.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.968 0.414 . . . . 0.0 110.894 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.09 129.65 67.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.079 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.4 pt -101.49 106.53 19.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.184 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.717 ' CD1' HD11 ' A' ' 73' ' ' ILE . 61.4 mt -65.58 178.95 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.8 p -112.72 67.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.03 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.402 ' HB2' HD13 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -139.99 128.15 13.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.602 179.856 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.57 -16.73 54.97 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.43 2.087 . . . . 0.0 112.413 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -126.6 33.0 5.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.688 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.717 HD11 ' CD1' ' A' ' 68' ' ' LEU . 2.9 tp -74.35 125.97 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.116 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 m -55.72 133.22 50.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.173 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.68 HG23 ' HB2' ' A' ' 61' ' ' SER . 89.1 m -62.14 -38.86 90.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.454 ' O ' ' C ' ' A' ' 77' ' ' HIS . 5.5 m-85 -105.76 14.08 28.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.45 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.499 ' CD2' ' CD1' ' A' ' 127' ' ' PHE . 1.8 t60 -19.24 -68.98 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.585 -1.189 . . . . 0.0 112.888 -179.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . . . -150.96 164.1 37.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.975 0.417 . . . . 0.0 111.947 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 56' ' ' THR . 8.0 pt-20 -131.12 138.41 49.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.771 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.71 ' CZ ' HG13 ' A' ' 97' ' ' VAL . 10.0 m-85 -119.43 131.33 55.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.953 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.441 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 12.4 m-70 -94.73 116.73 29.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.839 0.352 . . . . 0.0 111.218 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.516 HD12 ' OD1' ' A' ' 52' ' ' ASN . 0.4 OUTLIER -106.08 109.36 21.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.691 179.636 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.46 140.06 53.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -113.94 129.36 56.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -136.53 147.96 47.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.103 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -103.17 119.65 39.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 m -127.81 115.62 40.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.338 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 55.94 78.45 0.2 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 66.39 -71.57 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.989 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -70.03 177.03 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.713 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.03 127.94 27.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.2 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -102.47 143.96 31.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.625 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.602 ' CG ' HD11 ' A' ' 34' ' ' LEU . 10.6 m120 -109.82 130.74 55.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.14 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.35 137.89 51.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.624 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.415 ' HB ' ' HB3' ' A' ' 119' ' ' LEU . 3.9 mp -121.01 140.39 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 111.28 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.97 144.08 43.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.929 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.71 HG13 ' CZ ' ' A' ' 80' ' ' PHE . 11.9 t -117.03 123.02 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.036 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.418 HD12 ' N ' ' A' ' 98' ' ' ILE . 3.8 mp -127.28 123.93 62.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.061 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.67 ' HB2' HD22 ' A' ' 112' ' ' LEU . 0.2 OUTLIER -114.03 130.74 56.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -149.62 42.92 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 m -123.8 -177.65 3.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -117.49 41.49 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.48 ' OD1' HG22 ' B' ' 8' ' ' TPO . 0.9 OUTLIER -113.82 -34.3 5.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.311 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.77 125.29 5.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.445 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.467 ' HG1' ' HD1' ' A' ' 127' ' ' PHE . 56.2 m -132.06 126.1 33.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 111.022 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -121.08 115.01 22.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.797 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.624 ' HB ' HG23 ' A' ' 125' ' ' ILE . 0.0 OUTLIER -120.53 137.03 55.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.301 0.572 . . . . 0.0 111.257 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.541 ' HB2' HD13 ' A' ' 107' ' ' ILE . 0.9 OUTLIER 64.16 29.58 13.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.804 -179.809 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.65 11.98 73.49 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.903 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -134.0 141.17 47.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.815 0.341 . . . . 0.0 110.979 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -70.22 135.47 49.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.67 HD22 ' HB2' ' A' ' 99' ' ' ASP . 8.8 tt -83.95 122.61 28.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 17.1 m -115.46 -40.82 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.76 -178.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.789 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.56 -33.42 5.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.035 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.53 72.62 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.075 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -83.98 138.78 32.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.727 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.53 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.2 tp -98.66 118.04 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.984 0.421 . . . . 0.0 111.495 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.852 HD23 ' N ' ' A' ' 120' ' ' LYS . 3.6 tt -103.17 140.22 37.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.97 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.852 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -134.3 176.23 8.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.854 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.425 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 6.4 p-10 -58.8 141.51 52.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.978 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.418 ' HA2' HD21 ' A' ' 134' ' ' LEU . . . 74.11 53.03 7.25 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.502 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.494 ' HB2' HD21 ' A' ' 119' ' ' LEU . 90.0 m-20 -131.47 134.26 45.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.807 0.337 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -103.46 124.2 48.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.669 HD11 HD11 ' A' ' 119' ' ' LEU . 3.4 mp -120.87 126.34 75.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.089 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.4 t -109.47 133.85 53.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 78' ' ' ALA . 5.4 m-85 -119.72 130.62 55.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.077 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 85.78 -68.02 3.46 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.424 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 169.96 -33.44 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.742 0.306 . . . . 0.0 110.985 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 5.4 p -106.43 -42.72 4.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.396 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . 0.52 ' HB3' HD22 ' A' ' 68' ' ' LEU . 44.9 m -57.71 104.79 0.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.985 0.422 . . . . 0.0 111.202 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 29.0 t -124.5 125.86 44.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.918 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.432 ' CE1' ' HB ' ' A' ' 125' ' ' ILE . 25.3 p90 -142.09 156.06 45.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.928 0.394 . . . . 0.0 111.206 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.472 HD23 ' N ' ' A' ' 135' ' ' PHE . 5.6 tt -122.2 124.84 44.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.639 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.472 ' N ' HD23 ' A' ' 134' ' ' LEU . 86.8 t80 -92.02 141.41 28.64 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 122.04 0.924 . . . . 0.0 111.831 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.58 153.44 31.41 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 113.774 -1.557 . . . . 0.0 110.665 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 137' ' ' TYR . 1.1 m-30 -78.39 139.84 38.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.065 0.46 . . . . 0.0 110.632 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -102.86 119.99 39.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.167 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.2 m -128.54 -175.59 3.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 2.7 t -64.97 -66.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -170.6 151.58 3.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.56 167.45 10.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.949 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 1.3 p -148.43 45.23 1.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -72.99 126.93 31.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.595 HG22 ' H ' ' A' ' 146' ' ' GLU . 2.3 mt -110.14 -143.4 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.436 -1.149 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.595 ' H ' HG22 ' A' ' 145' ' ' ILE . 1.7 mt-10 62.76 152.31 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 61.13 85.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.27 159.33 26.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -137.49 31.13 2.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -94.24 126.73 39.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.1 177.88 8.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 15.8 m -98.17 31.22 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.69 117.42 3.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 47.8 m -129.59 -179.45 5.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.03 30.01 5.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 2.5 m 58.94 81.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.77 98.16 11.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 8.7 t -87.83 -39.9 14.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.862 0.363 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 12.4 pt -93.12 -179.19 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.05 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 10.6 tm0? 58.68 88.68 0.12 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.955 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.25 -168.11 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.497 2.131 . . . . 0.0 112.269 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' TPO . . . . . 0.48 HG22 ' OD1' ' A' ' 103' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -133.9 163.43 29.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -91.91 113.11 25.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 53.1 m -100.97 144.59 29.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.802 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.0 p . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.884 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.0 mttp . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.812 0.339 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.18 36.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -95.21 140.75 29.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -78.71 110.37 13.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -95.84 160.77 14.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.9 t -158.37 -48.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -89.47 -176.93 5.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -109.23 136.14 20.17 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.793 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 26' ' ' LYS . 32.6 Cg_exo -57.68 154.58 36.28 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.399 2.066 . . . . 0.0 112.177 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.1 t -94.04 -173.75 3.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.5 p -89.41 162.91 15.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -94.13 -24.09 17.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.006 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.425 ' HB2' ' CG2' ' A' ' 51' ' ' THR . 40.9 m-85 -100.21 -122.51 0.16 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.602 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -140.24 129.88 24.31 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.788 0.328 . . . . 0.0 110.248 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.03 134.96 57.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.925 0.393 . . . . 0.0 111.199 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.024 HD13 HD12 ' A' ' 82' ' ' LEU . 7.3 tt -132.93 -48.07 0.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.758 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.448 ' O ' HG22 ' A' ' 50' ' ' ILE . . . -159.15 -173.38 27.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.516 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.63 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 40.9 m80 -142.79 160.34 40.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.838 0.351 . . . . 0.0 110.881 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.691 HD11 ' HB ' ' A' ' 50' ' ' ILE . 1.0 OUTLIER -127.2 119.72 27.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.763 179.788 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.2 t -104.39 121.78 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.172 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -90.27 133.01 35.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.804 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.2 mp -106.18 106.67 17.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.833 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.433 HD12 ' O ' ' A' ' 44' ' ' LYS . 1.4 mp -124.32 139.02 31.97 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.403 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 77.9 Cg_exo -50.49 -25.15 13.68 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.363 2.042 . . . . 0.0 112.507 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.45 -40.43 7.83 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.644 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.433 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -179.72 163.94 1.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.852 0.358 . . . . 0.0 110.947 179.836 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -94.41 174.06 7.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.08 129.65 8.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -107.22 124.94 50.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.6 t -116.86 137.53 50.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -88.27 122.27 31.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.691 ' HB ' HD11 ' A' ' 37' ' ' LEU . 3.7 tt -113.23 124.51 69.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.994 0.426 . . . . 0.0 111.182 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.425 ' CG2' ' HB2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -97.43 168.23 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.127 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.436 ' H ' ' ND2' ' A' ' 52' ' ' ASN . 0.1 OUTLIER -80.61 68.21 6.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.115 0.484 . . . . 0.0 110.469 179.422 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.572 ' C ' ' H ' ' A' ' 55' ' ' VAL . 19.6 ttt-85 -81.87 5.51 18.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.038 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.478 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 25.1 m-80 69.67 -35.96 0.33 Allowed 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -178.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.572 ' H ' ' C ' ' A' ' 53' ' ' ARG . 61.1 t -137.5 132.68 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.477 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.766 HG23 ' CB ' ' A' ' 65' ' ' ASP . 53.4 m -125.07 127.32 46.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.262 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -104.14 119.68 39.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.025 0.44 . . . . 0.0 111.188 -179.62 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.476 ' CG2' HD23 ' A' ' 68' ' ' LEU . 19.2 mt -107.84 122.29 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.026 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.84 -139.92 5.43 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.456 -0.878 . . . . 0.0 113.014 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.437 ' HB2' ' CG2' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -106.99 -32.84 7.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.321 . . . . 0.0 111.176 -179.586 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.616 ' HB2' HG23 ' A' ' 75' ' ' THR . 2.0 t -45.68 153.11 0.28 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.327 -179.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -75.3 -34.14 61.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.88 -19.25 62.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.2 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.406 ' HA ' ' CB ' ' A' ' 57' ' ' THR . 6.1 m -53.78 141.02 28.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.006 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.766 ' CB ' HG23 ' A' ' 56' ' ' THR . 3.3 m-20 -65.26 -53.81 38.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.138 0.494 . . . . 0.0 110.429 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.0 t -109.49 133.09 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.727 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.491 HD13 ' H ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -105.59 106.55 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.201 -179.861 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.778 HD21 ' CE2' ' A' ' 133' ' ' PHE . 0.2 OUTLIER -76.75 -152.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.031 179.615 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 1.2 m -39.62 -93.95 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 117.548 0.158 . . . . 0.0 111.285 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' A' ' 69' ' ' SER . 2.1 mm-40 155.99 -67.66 0.0 OUTLIER Pre-proline 0 N--CA 1.469 0.499 0 CA-C-O 120.644 0.259 . . . . 0.0 111.662 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 70' ' ' GLU . 39.8 Cg_endo -67.14 -16.24 48.4 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.555 2.17 . . . . 0.0 113.585 -178.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -137.05 34.99 2.57 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.677 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 73' ' ' ILE . 4.9 tp -117.75 126.01 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-O 120.995 0.426 . . . . 0.0 111.237 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.428 ' HB2' ' CG ' ' A' ' 77' ' ' HIS . 34.7 m -62.25 133.73 55.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.061 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.616 HG23 ' HB2' ' A' ' 61' ' ' SER . 91.4 m -54.73 -44.05 73.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.465 ' O ' ' C ' ' A' ' 77' ' ' HIS . 16.2 p90 -110.45 13.68 22.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.231 0.538 . . . . 0.0 111.54 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.465 ' C ' ' O ' ' A' ' 76' ' ' PHE . 1.6 t-160 -13.16 -65.58 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.571 -1.195 . . . . 0.0 113.063 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -154.19 160.11 41.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.12 0.486 . . . . 0.0 112.039 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -122.19 134.86 54.71 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.015 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.702 ' CE1' HG13 ' A' ' 97' ' ' VAL . 3.2 m-85 -119.52 131.1 55.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.74 0.305 . . . . 0.0 111.24 -179.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.478 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 11.2 m170 -97.16 116.84 30.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 0.0 111.013 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.024 HD12 HD13 ' A' ' 34' ' ' LEU . 2.3 mm? -106.1 109.68 21.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.835 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.512 HD23 ' N ' ' A' ' 84' ' ' GLN . 1.0 OUTLIER -122.1 139.44 53.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.984 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.512 ' N ' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -103.41 128.09 50.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.808 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -112.66 128.8 56.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -85.32 116.0 23.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.022 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.401 HG21 ' HE ' ' A' ' 92' ' ' ARG . 19.8 t -136.61 139.05 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.023 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -53.12 157.28 1.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.09 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 69.05 -67.58 0.21 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -136.8 154.79 50.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -82.98 157.43 22.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.834 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.401 ' HE ' HG21 ' A' ' 87' ' ' VAL . 5.4 mtm180 -115.9 125.8 53.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.609 ' HB3' HD21 ' A' ' 34' ' ' LEU . 11.3 m120 -113.55 128.4 56.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.1 mp -123.0 128.37 50.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.435 HD13 HD23 ' A' ' 119' ' ' LEU . 4.0 mp -118.34 141.05 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.417 ' HB3' ' HB2' ' A' ' 81' ' ' HIS . 15.7 t-20 -113.84 144.09 43.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.789 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.702 HG13 ' CE1' ' A' ' 80' ' ' PHE . 12.7 t -113.25 122.08 66.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.188 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.4 ' CD1' ' NE2' ' A' ' 81' ' ' HIS . 32.9 mt -126.68 121.01 57.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -111.79 133.83 53.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.05 37.21 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.6 m -128.85 176.73 7.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.01 30.7 7.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.414 ' OD1' HG22 ' B' ' 8' ' ' TPO . 0.8 OUTLIER -94.47 -28.12 15.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.31 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.18 111.28 3.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.446 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.456 ' CG2' ' CE1' ' A' ' 127' ' ' PHE . 85.2 m -118.73 125.6 50.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.405 ' CE2' ' HG3' ' A' ' 111' ' ' ARG . 38.8 m-85 -121.04 114.98 22.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.8 HG22 HD22 ' A' ' 112' ' ' LEU . 2.8 tp -111.54 137.36 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.441 0.638 . . . . 0.0 111.239 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 62.54 26.33 15.65 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.834 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.66 9.64 70.02 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.801 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -134.23 151.53 51.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.884 0.373 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.405 ' HG3' ' CE2' ' A' ' 106' ' ' PHE . 0.9 OUTLIER -69.95 132.54 46.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.76 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.8 HD22 HG22 ' A' ' 107' ' ' ILE . 1.6 pt? -99.97 141.05 33.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.025 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 12.6 p -118.95 -39.54 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -59.89 130.74 48.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.788 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -72.66 -16.86 61.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -120.67 68.68 0.87 Allowed 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -78.88 139.12 38.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.626 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.553 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.3 tp -98.41 116.44 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-O 121.015 0.436 . . . . 0.0 111.345 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.435 HD23 HD13 ' A' ' 95' ' ' ILE . 6.8 tt -103.19 143.77 32.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.073 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.1 mtmm -135.62 178.13 7.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.72 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.423 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 7.8 p-10 -55.64 137.82 48.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.099 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 77.23 43.01 17.52 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.624 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -114.95 130.47 56.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.601 ' HD2' HD12 ' A' ' 134' ' ' LEU . 0.3 OUTLIER -104.45 114.9 29.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.787 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.5 ' HB ' HD13 ' A' ' 107' ' ' ILE . 2.9 tt -116.64 137.77 49.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.619 HG22 ' HB2' ' A' ' 132' ' ' SER . 21.2 t -116.57 127.61 74.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.196 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.456 ' CE1' ' CG2' ' A' ' 105' ' ' THR . 40.6 m-85 -119.29 130.65 55.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.763 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.485 ' O ' ' HB2' ' A' ' 129' ' ' LYS . . . 86.78 -7.45 79.81 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.741 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 128' ' ' GLY . 4.6 mtpp 74.71 32.16 0.89 Allowed 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.075 0.464 . . . . 0.0 110.358 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 53.2 p -161.49 -43.46 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.94 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . 0.415 ' HB3' HD12 ' A' ' 68' ' ' LEU . 6.8 m -88.01 110.97 21.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.841 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.619 ' HB2' HG22 ' A' ' 126' ' ' VAL . 33.4 t -124.17 138.44 54.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.181 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.778 ' CE2' HD21 ' A' ' 68' ' ' LEU . 15.5 p90 -142.09 156.16 45.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.601 HD12 ' HD2' ' A' ' 124' ' ' ARG . 8.9 tt -107.88 139.98 41.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.058 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -110.74 141.63 43.79 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.925 0.869 . . . . 0.0 111.596 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -154.56 160.75 41.69 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 113.899 -1.5 . . . . 0.0 110.955 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.423 ' CE2' ' HB3' ' A' ' 121' ' ' ASN . 3.4 m-85 -85.57 139.84 31.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.971 0.415 . . . . 0.0 110.749 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.63 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . . . -96.13 106.62 18.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.191 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.8 m -120.26 150.38 40.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 67.0 m -154.69 151.47 28.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.3 m -99.15 174.18 6.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 15.1 m -74.26 146.83 42.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.41 -55.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.029 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -157.3 36.67 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.585 HG22 ' O ' ' A' ' 145' ' ' ILE . 18.4 mm -102.49 24.69 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.605 0.717 . . . . 0.0 111.385 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.33 90.36 3.68 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 114.629 -1.169 . . . . 0.0 110.972 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -77.57 141.98 39.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -162.96 99.21 0.97 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -69.98 143.2 52.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -97.5 -64.94 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.65 148.23 49.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 6.2 m -127.49 -44.48 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 10.7 p 59.44 173.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 11.5 t -109.4 -36.14 6.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -137.93 145.03 41.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 23.3 t -61.64 -51.7 67.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -128.68 148.23 50.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 30.1 t -135.66 94.65 3.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 51.0 p30 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.844 0.354 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.65 ' N ' HD13 ' B' ' 4' ' ' ILE . 0.2 OUTLIER -148.37 177.26 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.221 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.2 91.96 0.07 OUTLIER Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.061 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.59 -173.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.476 2.117 . . . . 0.0 112.155 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' TPO . . . . . 0.414 HG22 ' OD1' ' A' ' 103' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.86 -175.83 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.798 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -83.83 114.6 21.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 35.5 p -84.8 179.25 7.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.804 0.335 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 47.4 mtt180 -125.53 135.4 52.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -125.86 162.42 25.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -91.68 -43.52 9.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.17 -172.57 4.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.03 116.59 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -161.96 -45.88 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm -71.18 119.12 71.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.816 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.09 142.55 46.79 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.373 2.049 . . . . 0.0 112.258 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m 62.21 118.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 m -106.81 -44.71 4.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 62.66 144.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.443 ' HB2' HG21 ' A' ' 51' ' ' THR . 88.5 m-85 -121.62 -122.76 0.28 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.451 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.24 129.26 27.08 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-O 120.887 0.375 . . . . 0.0 110.37 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.98 145.08 47.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.071 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.626 HD11 ' HG2' ' A' ' 84' ' ' GLN . 0.6 OUTLIER -149.28 -45.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.834 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.718 ' C ' HG22 ' A' ' 50' ' ' ILE . . . -143.86 179.53 21.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.499 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.434 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 47.0 m80 -146.69 157.88 43.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.859 0.361 . . . . 0.0 110.637 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mt -121.63 115.92 23.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.043 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.95 121.74 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.004 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -90.0 116.73 28.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.468 ' O ' HD13 ' A' ' 41' ' ' ILE . 5.3 mp -70.61 106.69 3.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.811 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.468 HD13 ' O ' ' A' ' 40' ' ' LEU . 30.8 mm -124.11 138.74 31.25 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.967 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.422 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 89.9 Cg_exo -44.33 -29.26 2.93 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.513 2.142 . . . . 0.0 112.603 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.34 -122.62 3.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.302 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.18 138.52 38.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.854 0.359 . . . . 0.0 111.053 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -89.81 150.01 22.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.64 108.26 17.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -105.77 126.75 52.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.1 t -119.76 151.08 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.163 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -101.37 133.05 46.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.718 HG22 ' C ' ' A' ' 35' ' ' GLY . 1.7 tt -114.53 132.17 64.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.443 HG21 ' HB2' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -105.7 168.39 9.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.225 -179.565 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.567 ' HB3' HD12 ' A' ' 34' ' ' LEU . 6.7 p30 -83.67 68.53 9.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.289 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.565 ' C ' ' H ' ' A' ' 55' ' ' VAL . 18.1 ttt180 -88.49 4.77 45.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.062 -179.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.424 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 1.2 t-20 71.56 -37.49 0.39 Allowed 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -178.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.565 ' H ' ' C ' ' A' ' 53' ' ' ARG . 68.7 t -137.3 137.83 45.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.581 179.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.762 HG23 ' HB3' ' A' ' 65' ' ' ASP . 31.7 m -125.43 129.72 50.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.952 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.69 132.81 49.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.858 0.361 . . . . 0.0 110.571 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.674 HD11 ' CD2' ' A' ' 80' ' ' PHE . 40.2 mt -116.69 128.37 74.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.698 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 161.62 -135.31 3.87 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.127 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.469 ' HG3' ' HG2' ' A' ' 70' ' ' GLU . 5.2 ttp85 -115.46 -27.28 7.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.65 0.262 . . . . 0.0 110.999 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.649 ' HB2' HG23 ' A' ' 75' ' ' THR . 0.1 OUTLIER -46.37 122.26 3.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.868 0.366 . . . . 0.0 110.925 -179.831 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -55.02 -27.0 40.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.088 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -75.5 -22.97 56.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.067 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.2 m -54.99 163.1 1.09 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.762 ' HB3' HG23 ' A' ' 56' ' ' THR . 9.7 t70 -82.23 -49.44 10.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.022 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 58' ' ' ILE . 21.6 t -124.96 133.11 70.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.379 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -101.18 122.3 53.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.727 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.709 HD21 ' CE1' ' A' ' 133' ' ' PHE . 7.6 mt -82.74 -94.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.78 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.0 t -91.8 -108.39 0.1 Allowed 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.614 ' CB ' ' HD3' ' A' ' 71' ' ' PRO . 1.2 mt-10 168.26 -65.41 0.0 OUTLIER Pre-proline 0 CA--C 1.531 0.224 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 179.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.614 ' HD3' ' CB ' ' A' ' 70' ' ' GLU . 35.3 Cg_exo -60.35 -40.0 62.19 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 121.865 1.71 . . . . 0.0 113.075 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -125.5 28.9 6.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.456 ' CG2' ' HB2' ' A' ' 60' ' ' ARG . 7.0 tp -98.25 120.05 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.01 0.433 . . . . 0.0 111.124 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.4 m -59.14 133.49 56.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.215 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.649 HG23 ' HB2' ' A' ' 61' ' ' SER . 93.5 m -63.67 -37.09 86.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.681 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.453 ' O ' ' C ' ' A' ' 77' ' ' HIS . 5.5 m-85 -106.22 13.86 28.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.247 0.546 . . . . 0.0 111.329 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.453 ' C ' ' O ' ' A' ' 76' ' ' PHE . 2.7 t-160 -19.93 -70.03 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.616 -1.175 . . . . 0.0 112.92 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.68 164.1 38.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.966 0.413 . . . . 0.0 111.946 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 56' ' ' THR . 10.1 mt-10 -126.47 134.8 50.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.684 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.674 ' CD2' HD11 ' A' ' 58' ' ' ILE . 14.4 m-85 -119.45 125.26 48.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.628 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.424 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 8.1 m-70 -94.86 116.26 28.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.919 0.39 . . . . 0.0 111.385 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.405 HD21 HD13 ' A' ' 34' ' ' LEU . 1.7 tt -106.67 109.43 21.34 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.711 179.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.572 HD23 ' H ' ' A' ' 84' ' ' GLN . 0.8 OUTLIER -122.27 140.18 52.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.055 -179.844 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.626 ' HG2' HD11 ' A' ' 34' ' ' LEU . 11.6 mt-30 -99.7 124.98 45.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.2 120.62 15.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -107.13 124.22 49.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.035 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.5 m -124.1 139.09 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.066 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 t0 74.51 -59.21 0.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.057 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -174.8 -43.92 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -79.61 138.04 37.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.633 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -82.95 127.68 33.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.076 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -117.19 138.68 51.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.752 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.447 ' C ' HD12 ' A' ' 94' ' ' LEU . 21.1 m-80 -114.05 131.41 56.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.942 0.401 . . . . 0.0 111.104 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.551 HD12 ' N ' ' A' ' 94' ' ' LEU . 5.2 mp -117.5 138.03 52.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.633 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 95' ' ' ILE . 4.2 mp -117.24 141.33 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.905 0.383 . . . . 0.0 111.328 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.76 132.74 55.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.821 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.673 HG13 ' CE1' ' A' ' 80' ' ' PHE . 3.3 t -95.87 128.27 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.249 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 22.3 mt -130.12 120.94 50.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.887 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -115.95 133.23 56.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.002 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.36 33.51 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.1 m -118.42 170.68 8.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.96 31.95 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.51 -40.64 7.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.217 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 112.96 109.23 2.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.459 HG21 ' CE1' ' A' ' 127' ' ' PHE . 58.6 m -112.98 125.63 54.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.752 0.311 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -120.22 123.49 43.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.451 HG22 HD11 ' A' ' 112' ' ' LEU . 3.2 tp -122.43 137.23 56.67 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 CA-C-O 121.557 0.694 . . . . 0.0 111.339 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 59.84 28.38 17.85 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.846 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.63 11.76 73.17 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.839 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -134.12 136.86 44.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.717 0.294 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.96 142.4 57.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.515 ' H ' HD12 ' A' ' 112' ' ' LEU . 4.7 mp -76.95 142.25 40.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 11.3 m -136.53 31.67 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.03 178.83 7.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -108.37 -44.52 4.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.18 74.34 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.768 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.401 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -84.12 139.27 32.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.526 ' O ' HG23 ' A' ' 118' ' ' ILE . 7.7 tp -98.56 119.17 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.558 HD21 ' HD2' ' A' ' 135' ' ' PHE . 8.7 tt -103.13 136.17 43.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.153 0.502 . . . . 0.0 111.642 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt -119.28 126.53 51.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.588 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.659 ' HB3' ' HA ' ' A' ' 136' ' ' LYS . 1.1 m120 -50.87 148.05 4.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.239 0.543 . . . . 0.0 111.635 -179.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 135' ' ' PHE . . . 93.2 40.92 4.7 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.748 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.607 ' C ' HD22 ' A' ' 134' ' ' LEU . 21.1 m-20 -142.48 162.46 35.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.878 0.37 . . . . 0.0 110.939 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.454 ' HG2' HD23 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -95.08 123.06 38.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 -179.843 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.3 mt -114.85 121.92 67.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.961 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 38.6 t -109.47 124.0 65.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.036 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.459 ' CE1' HG21 ' A' ' 105' ' ' THR . 11.1 m-85 -122.19 146.38 47.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.758 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 80.58 -65.95 3.79 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.326 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 170.38 -33.85 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.789 0.328 . . . . 0.0 111.043 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 93.5 p -119.65 -34.94 3.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.493 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . 0.676 ' HB3' HD22 ' A' ' 68' ' ' LEU . 33.3 m -54.37 104.78 0.12 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.994 0.426 . . . . 0.0 111.312 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 68.1 m -124.5 127.32 47.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.868 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.709 ' CE1' HD21 ' A' ' 68' ' ' LEU . 5.0 p90 -142.22 155.58 45.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.197 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.607 HD22 ' C ' ' A' ' 123' ' ' ASP . 0.3 OUTLIER -109.14 119.57 39.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.529 179.428 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.558 ' HD2' HD21 ' A' ' 119' ' ' LEU . 22.9 t80 -91.62 141.44 28.71 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 121.485 0.659 . . . . 0.0 110.376 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.659 ' HA ' ' HB3' ' A' ' 121' ' ' ASN . 0.3 OUTLIER -155.09 153.2 30.52 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.543 -179.317 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 121' ' ' ASN . 86.4 m-85 -70.98 141.0 51.04 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.139 0.495 . . . . 0.0 110.146 178.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 34' ' ' LEU . . . -80.5 147.24 30.95 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.233 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.7 t -96.51 -24.91 15.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.007 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 64.04 106.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.32 108.04 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 51.1 m -81.0 -56.66 3.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.81 124.76 6.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -147.0 117.86 7.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.704 HG23 ' N ' ' A' ' 146' ' ' GLU . 0.4 OUTLIER -117.9 -150.63 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.432 -1.342 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.704 ' N ' HG23 ' A' ' 145' ' ' ILE . 2.5 tt0 -137.56 -58.13 0.68 Allowed 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -111.88 137.74 49.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.81 130.6 56.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -147.14 126.05 12.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -144.48 71.91 1.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -168.52 35.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 11.1 p -92.0 -30.42 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.7 t -88.36 156.38 19.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.16 89.98 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 66.09 -76.1 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.96 143.51 22.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 60.42 -177.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 20.3 p -103.36 165.87 10.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.865 0.364 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.639 HG23 HG21 ' A' ' 75' ' ' THR . 3.7 mp -83.59 119.52 33.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' TPO . . . . . 0.591 HG21 ' O3P' ' B' ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 57.85 94.06 0.05 OUTLIER Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.167 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.59 -167.43 0.22 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.462 2.108 . . . . 0.0 112.158 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -107.31 115.96 31.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 60.06 -175.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 4.8 m -139.0 136.32 35.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.2 m . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.933 -179.939 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 tttt . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.783 0.325 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -144.86 169.6 17.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -138.39 31.45 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -118.46 160.22 22.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.788 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.08 127.82 54.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.5 p 58.11 166.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -133.47 31.47 3.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.4 tptp -154.99 134.73 7.99 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -61.64 140.94 89.26 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.495 2.13 . . . . 0.0 112.21 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.5 m -81.81 -76.21 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -151.32 34.16 0.57 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.3 94.06 8.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.774 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.414 ' HB2' ' CG2' ' A' ' 51' ' ' THR . 5.2 m-85 -88.41 -116.27 0.05 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.758 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.23 128.87 22.98 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.773 0.321 . . . . 0.0 110.81 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.41 114.97 6.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.821 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -118.46 -39.77 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.048 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.533 ' O ' HG22 ' A' ' 50' ' ' ILE . . . -153.52 176.13 31.64 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.55 -0.834 . . . . 0.0 112.729 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.506 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 27.0 m80 -138.54 158.0 45.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.614 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.48 HD23 ' HB2' ' A' ' 135' ' ' PHE . 3.5 mt -119.98 119.52 33.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.9 121.83 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -90.1 130.09 36.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mt -99.01 106.82 19.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.79 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.0 mp -124.07 132.61 24.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.056 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -57.24 85.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.299 2.0 . . . . 0.0 112.275 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.75 -28.69 1.45 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.553 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.37 149.87 0.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.8 0.333 . . . . 0.0 110.933 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.87 165.05 11.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.62 122.64 14.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.02 131.54 40.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.7 t -119.91 141.25 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.9 123.25 39.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.821 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.533 HG22 ' O ' ' A' ' 35' ' ' GLY . 12.2 tt -116.07 132.06 66.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.215 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.414 ' CG2' ' HB2' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -98.03 168.19 10.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.783 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.438 HD21 HD23 ' A' ' 34' ' ' LEU . 55.4 m-80 -59.5 -91.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.484 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.539 ' C ' ' H ' ' A' ' 55' ' ' VAL . 10.0 ttt-85 73.86 -4.29 2.3 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 179.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.67 ' OD1' HD12 ' A' ' 83' ' ' LEU . 2.5 t-20 71.31 -36.02 0.35 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.539 ' H ' ' C ' ' A' ' 53' ' ' ARG . 60.1 t -135.55 142.64 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.723 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.712 HG23 ' CB ' ' A' ' 65' ' ' ASP . 89.5 m -125.07 129.49 50.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.71 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.2 OUTLIER -103.96 140.1 38.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.951 0.405 . . . . 0.0 110.802 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 34.5 mt -130.18 124.75 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.112 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.98 -140.12 5.79 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.793 ' CG ' HG22 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -110.25 -20.43 12.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.673 0.273 . . . . 0.0 111.082 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.694 ' HB2' HG23 ' A' ' 75' ' ' THR . 1.4 t -55.23 154.09 6.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.862 0.363 . . . . 0.0 110.985 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.481 ' HD3' ' P ' ' B' ' 5' ' ' TPO . 0.0 OUTLIER -75.2 -36.2 61.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.98 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 m -70.01 -21.8 63.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.26 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 4.0 m -52.68 151.9 4.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.072 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.712 ' CB ' HG23 ' A' ' 56' ' ' THR . 0.9 OUTLIER -68.97 -55.97 9.27 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.025 0.44 . . . . 0.0 110.754 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.436 HG21 ' CD1' ' A' ' 37' ' ' LEU . 26.0 t -119.56 127.46 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.067 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.1 pp -92.08 104.86 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.95 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.678 HD22 ' SG ' ' A' ' 131' ' ' CYS . 13.4 mt -56.7 166.6 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.016 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.5 m -94.0 51.13 1.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.58 ' HB2' HD13 ' A' ' 73' ' ' ILE . 1.0 OUTLIER -130.92 126.2 21.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.607 179.693 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.05 -13.87 41.43 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.458 2.106 . . . . 0.0 112.725 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -138.44 45.41 2.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.879 0.371 . . . . 0.0 111.08 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.793 HG22 ' CG ' ' A' ' 60' ' ' ARG . 0.6 OUTLIER -83.46 147.78 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.86 132.13 53.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.004 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.694 HG23 ' HB2' ' A' ' 61' ' ' SER . 93.5 m -63.53 -40.45 97.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.809 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.457 ' O ' ' C ' ' A' ' 77' ' ' HIS . 6.7 m-85 -102.01 14.05 33.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.37 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.457 ' C ' ' O ' ' A' ' 76' ' ' PHE . 4.6 t60 -19.34 -69.41 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.745 -1.116 . . . . 0.0 112.792 -179.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -145.31 162.59 36.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.031 0.444 . . . . 0.0 111.816 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.41 122.43 17.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.418 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.829 ' CZ ' HG13 ' A' ' 97' ' ' VAL . 6.1 m-85 -119.27 131.2 55.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.618 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 55' ' ' VAL . 11.9 m170 -94.69 116.26 28.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.929 0.395 . . . . 0.0 111.424 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.822 HD13 HD11 ' A' ' 95' ' ' ILE . 10.3 tp -106.62 109.56 21.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.238 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.67 HD12 ' OD1' ' A' ' 54' ' ' ASN . 0.6 OUTLIER -122.35 140.09 53.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 -179.833 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -98.02 120.93 39.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.69 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.44 121.67 44.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -98.09 115.99 29.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.802 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.8 p -140.08 128.11 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.004 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.96 -165.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.761 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -49.04 -62.3 1.6 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.315 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -82.7 -174.14 5.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -131.86 141.77 49.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.0 140.29 49.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.603 ' C ' HD22 ' A' ' 94' ' ' LEU . 7.9 m120 -114.0 149.45 35.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.608 HD12 HD11 ' A' ' 118' ' ' ILE . 4.4 mm? -128.27 136.93 51.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.708 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.822 HD11 HD13 ' A' ' 82' ' ' LEU . 17.2 mm -118.75 141.2 39.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.225 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.01 144.14 44.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.829 HG13 ' CZ ' ' A' ' 80' ' ' PHE . 25.9 t -111.76 130.47 65.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.388 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 12.7 mt -130.1 120.83 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.64 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.453 ' OD2' HD23 ' A' ' 112' ' ' LEU . 0.9 OUTLIER -94.09 139.05 31.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.976 -179.764 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -176.1 39.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.36 179.77 6.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 40.5 mtp85 -120.08 28.82 7.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.818 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -149.83 -62.0 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.173 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 166.17 135.73 1.9 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.635 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.543 HG23 ' CD1' ' A' ' 127' ' ' PHE . 90.1 m -125.4 122.88 38.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.749 0.309 . . . . 0.0 110.714 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.428 ' CE2' ' HD3' ' A' ' 111' ' ' ARG . 18.3 m-85 -121.09 117.11 26.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.001 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.718 HG22 HD21 ' A' ' 112' ' ' LEU . 2.8 tp -122.96 137.23 57.14 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 CA-C-O 121.498 0.666 . . . . 0.0 111.25 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 60.33 25.76 15.26 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.67 13.1 74.68 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.86 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -131.75 141.14 49.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.428 ' HD3' ' CE2' ' A' ' 106' ' ' PHE . 1.6 tpt85 -75.15 143.01 43.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.718 HD21 HG22 ' A' ' 107' ' ' ILE . 3.3 mm? -70.5 130.12 41.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.77 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 6.7 m -141.03 31.26 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -172.23 155.58 3.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -97.24 168.41 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.6 t0 59.97 55.29 3.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.817 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -84.0 139.35 32.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.608 HD11 HD12 ' A' ' 94' ' ' LEU . 8.5 tp -98.34 117.21 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-O 121.045 0.45 . . . . 0.0 110.96 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.845 HD23 ' N ' ' A' ' 120' ' ' LYS . 2.3 tt -103.11 137.28 41.49 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.251 0.548 . . . . 0.0 111.565 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.845 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.8 OUTLIER -117.85 126.98 53.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.406 178.721 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.562 ' HB2' ' CE2' ' A' ' 137' ' ' TYR . 2.0 m-80 -53.87 131.5 40.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.618 -179.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 112.82 41.18 1.02 Allowed Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.314 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -139.85 168.61 19.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.8 0.334 . . . . 0.0 110.974 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.515 ' HE ' HD12 ' A' ' 134' ' ' LEU . 0.3 OUTLIER -97.89 124.61 42.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.52 HG12 HD13 ' A' ' 107' ' ' ILE . 4.1 mt -114.78 122.93 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.974 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 35.0 t -118.42 129.41 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.543 ' CD1' HG23 ' A' ' 105' ' ' THR . 58.7 m-85 -120.06 128.11 53.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.813 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 83.56 -67.54 3.71 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.285 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 168.27 -31.78 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.825 0.345 . . . . 0.0 111.106 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 18.3 p -98.75 -54.68 2.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.54 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . 0.678 ' SG ' HD22 ' A' ' 68' ' ' LEU . 78.9 m -53.26 102.36 0.05 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.076 0.465 . . . . 0.0 111.641 -179.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.5 m -124.94 114.03 18.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.922 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -142.11 155.54 45.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.859 0.361 . . . . 0.0 111.286 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.515 HD12 ' HE ' ' A' ' 124' ' ' ARG . 2.0 tt -112.27 125.57 54.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.732 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.48 ' HB2' HD23 ' A' ' 37' ' ' LEU . 14.6 t80 -96.01 140.64 30.46 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 121.797 0.808 . . . . 0.0 111.027 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.507 ' HA ' ' HB3' ' A' ' 121' ' ' ASN . 8.4 tttt -155.22 155.98 34.83 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 114.026 -1.443 . . . . 0.0 111.424 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 121' ' ' ASN . 38.5 m-85 -69.15 141.21 54.65 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.188 0.518 . . . . 0.0 110.491 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.506 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . . . -72.67 117.34 14.23 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.197 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 14.4 m -85.15 125.84 33.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.77 88.43 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.65 143.53 45.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.7 m -160.46 102.61 1.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 1.7 t -95.47 90.76 5.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -96.59 107.94 20.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.586 HG22 ' H ' ' A' ' 146' ' ' GLU . 0.7 OUTLIER -110.25 -143.63 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.436 -1.152 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.586 ' H ' HG22 ' A' ' 145' ' ' ILE . 16.1 tt0 -107.03 120.12 41.22 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -145.79 134.5 22.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -123.14 138.48 54.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -177.97 -38.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 64.2 113.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 61.56 -177.0 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 6.0 m -59.23 121.97 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 5.4 t -152.78 -47.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 34.8 m -121.34 75.84 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.783 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -143.93 83.0 1.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.53 136.38 36.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -90.57 132.34 35.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.817 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.11 169.29 8.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.92 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . 0.685 ' O ' HG22 ' B' ' 4' ' ' ILE . 10.2 t30 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.556 0.217 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.685 HG22 ' O ' ' B' ' 3' ' ' ASN . 9.6 tt 51.7 160.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.937 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' TPO . . . . . 0.481 ' P ' ' HD3' ' A' ' 62' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.62 162.43 20.01 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.871 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -64.53 -176.69 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.562 2.175 . . . . 0.0 112.318 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -133.89 47.13 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.55 177.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 68.1 m -155.16 156.22 35.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 12.0 p . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.14 -0.933 . . . . 0.0 110.92 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 mttt . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.77 0.319 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -85.98 -54.08 4.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -136.41 34.06 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -132.41 114.04 13.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.87 -55.29 0.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.2 m -86.89 175.27 8.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -133.79 169.24 17.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' CB ' ' HD3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -158.09 -57.26 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.148 179.81 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.461 ' HD3' ' CB ' ' A' ' 26' ' ' LYS . 37.3 Cg_exo -57.81 143.51 95.43 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.203 1.935 . . . . 0.0 112.267 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.8 m 61.06 88.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -164.54 -76.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.63 110.29 2.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.8 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.454 ' H ' HG21 ' A' ' 51' ' ' THR . 15.8 m-85 -85.31 -107.53 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.517 ' N ' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.43 138.5 34.77 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-O 120.835 0.35 . . . . 0.0 110.56 179.697 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.2 t -59.86 145.02 47.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.422 HD11 ' HG3' ' A' ' 84' ' ' GLN . 0.4 OUTLIER -148.6 -46.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.615 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.593 ' O ' ' HB ' ' A' ' 50' ' ' ILE . . . -164.13 135.08 3.6 Favored Glycine 0 C--O 1.227 -0.294 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.872 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.428 ' CG ' ' HA ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -108.81 159.46 16.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.114 0.483 . . . . 0.0 111.187 -179.481 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.559 HD12 ' HB ' ' A' ' 48' ' ' VAL . 0.2 OUTLIER -127.54 125.13 39.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.433 179.498 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.3 t -101.62 127.96 54.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.333 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -87.86 134.54 33.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.749 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 40' ' ' LEU . 3.9 mm? -90.22 106.45 18.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.83 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.549 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 2.1 mp -124.6 141.17 37.15 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.687 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.549 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 56.8 Cg_endo -73.24 -39.29 2.2 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.107 1.871 . . . . 0.0 112.316 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.57 -32.61 67.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.39 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.0 ptpp? 173.5 118.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.786 0.327 . . . . 0.0 110.809 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.471 ' HA ' HD12 ' A' ' 41' ' ' ILE . 4.3 mp0 -56.71 169.92 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -150.24 132.47 15.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.806 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.97 130.44 56.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.018 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.559 ' HB ' HD12 ' A' ' 37' ' ' LEU . 25.0 t -118.56 151.08 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.428 ' HA ' ' CG ' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -104.8 127.7 52.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.67 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.772 HG21 HD13 ' A' ' 82' ' ' LEU . 13.6 mm -111.3 125.9 68.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.136 0.493 . . . . 0.0 111.1 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.517 HG22 ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -96.94 168.1 10.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.583 179.872 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -80.27 59.6 3.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.147 0.499 . . . . 0.0 110.223 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.566 ' C ' ' H ' ' A' ' 55' ' ' VAL . 10.1 ttt-85 -80.97 0.15 36.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.813 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.439 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 0.4 OUTLIER 71.88 -34.46 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -178.727 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.566 ' H ' ' C ' ' A' ' 53' ' ' ARG . 71.3 t -137.41 135.17 46.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.762 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.698 HG23 ' HB3' ' A' ' 65' ' ' ASP . 51.6 m -125.28 130.38 51.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.021 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.411 ' H ' ' CB ' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -103.74 120.22 40.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.983 0.42 . . . . 0.0 110.804 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.959 HG22 HD11 ' A' ' 68' ' ' LEU . 4.3 mp -107.92 128.43 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.029 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.75 -143.44 8.2 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.427 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.74 ' CG ' HG22 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -112.21 -17.83 12.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.607 0.241 . . . . 0.0 111.264 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.613 ' HB2' HG23 ' A' ' 75' ' ' THR . 0.4 OUTLIER -54.92 159.97 2.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.82 0.343 . . . . 0.0 111.041 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.56 -38.32 29.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -70.0 -21.56 63.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.254 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 21.7 m -53.64 141.28 26.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.094 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.698 ' HB3' HG23 ' A' ' 56' ' ' THR . 62.4 t0 -64.19 -47.93 77.86 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.903 0.382 . . . . 0.0 110.752 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.411 HG23 ' CG2' ' A' ' 56' ' ' THR . 21.5 t -117.83 133.09 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.243 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.7 pt -106.55 122.45 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.959 HD11 HG22 ' A' ' 58' ' ' ILE . 4.1 mp -70.08 -177.13 1.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.71 34.6 4.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.156 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.12 129.6 25.21 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.682 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.07 -13.98 41.8 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.474 2.116 . . . . 0.0 112.69 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -130.84 41.33 3.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.713 0.292 . . . . 0.0 111.14 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.743 ' CD1' HD22 ' A' ' 68' ' ' LEU . 2.4 tp -85.01 148.02 5.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.7 t -58.7 131.1 49.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.98 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.613 HG23 ' HB2' ' A' ' 61' ' ' SER . 74.3 m -64.91 -44.06 90.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.764 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.469 ' O ' ' C ' ' A' ' 77' ' ' HIS . 19.8 m-85 -100.6 13.76 33.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.273 0.558 . . . . 0.0 111.294 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.469 ' C ' ' O ' ' A' ' 76' ' ' PHE . 2.6 t-160 -14.69 -68.29 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.513 -1.221 . . . . 0.0 112.858 -179.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.85 ' HB3' ' CE2' ' A' ' 127' ' ' PHE . . . -162.39 164.02 27.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.969 0.414 . . . . 0.0 111.659 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.418 ' HG3' HD13 ' A' ' 98' ' ' ILE . 17.8 pt-20 -120.66 142.49 49.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.52 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.886 ' CE1' HG13 ' A' ' 97' ' ' VAL . 1.0 OUTLIER -119.53 126.23 50.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.871 -179.756 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.439 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 6.9 m-70 -94.84 116.13 28.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.893 0.378 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.772 HD13 HG21 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -106.74 109.91 21.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.788 179.654 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.3 mt -117.67 137.07 52.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.422 ' HG3' HD11 ' A' ' 34' ' ' LEU . 4.0 tt0 -108.86 125.43 51.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -134.52 125.57 27.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -94.26 115.94 28.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.8 m -122.68 122.85 67.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.03 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 61.21 -173.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.728 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -47.65 -29.28 2.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.221 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -97.93 -173.38 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -131.16 142.14 50.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.616 ' NH1' HD21 ' A' ' 94' ' ' LEU . 48.6 ttp85 -117.04 127.5 54.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.763 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.793 ' C ' HD22 ' A' ' 94' ' ' LEU . 3.4 m-80 -111.03 138.98 46.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.038 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.793 HD22 ' C ' ' A' ' 93' ' ' ASN . 3.9 mm? -132.05 138.96 48.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.633 HD13 HD23 ' A' ' 119' ' ' LEU . 2.5 mp -124.9 141.14 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.784 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.78 131.49 56.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.986 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.886 HG13 ' CE1' ' A' ' 80' ' ' PHE . 21.6 t -105.56 130.23 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.156 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.544 HD12 ' N ' ' A' ' 98' ' ' ILE . 3.5 mp -128.37 124.92 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.083 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -87.75 121.73 30.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.46 -23.04 53.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.039 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m 67.44 84.83 0.15 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.16 -48.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.797 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -118.22 -39.43 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.079 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 135.0 119.75 1.97 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 26.5 m -126.27 123.62 38.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.438 ' CE2' ' HB3' ' A' ' 111' ' ' ARG . 6.1 m-85 -120.94 137.21 54.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.596 HD12 ' H ' ' A' ' 108' ' ' ASN . 2.8 tp -123.01 137.19 57.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.466 0.651 . . . . 0.0 111.293 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.596 ' H ' HD12 ' A' ' 107' ' ' ILE . 13.8 m120 64.92 28.09 12.69 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.715 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.62 8.9 68.37 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.94 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -134.11 148.07 50.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.831 0.348 . . . . 0.0 110.959 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.438 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 5.5 ptm180 -66.76 130.69 43.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.8 pp -87.16 137.91 31.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.448 HG13 ' N ' ' A' ' 114' ' ' LYS . 12.2 p -121.8 -42.85 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.448 ' N ' HG13 ' A' ' 113' ' ' VAL . 27.1 mtmm -67.23 155.99 37.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -92.59 154.33 18.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.4 t0 60.02 73.19 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.818 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -83.23 137.73 33.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.541 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.0 tp -98.74 118.31 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.294 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.666 HD13 ' HE2' ' A' ' 80' ' ' PHE . 5.4 tt -103.18 135.62 44.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -122.73 171.03 9.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.425 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 4.8 p-10 -59.53 148.05 34.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.993 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 65.99 38.67 94.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.527 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -112.19 141.88 45.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.817 0.342 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.521 ' O ' HD12 ' A' ' 107' ' ' ILE . 8.3 ttm-85 -95.29 127.95 41.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.965 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.561 HD11 HD11 ' A' ' 119' ' ' LEU . 3.3 mp -124.91 138.05 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.1 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.7 t -122.89 123.9 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.85 ' CE2' ' HB3' ' A' ' 78' ' ' ALA . 3.3 m-85 -115.7 112.02 21.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 106.22 -74.04 0.22 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.508 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -178.54 -37.96 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.704 0.287 . . . . 0.0 111.084 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.0 p -115.0 -36.0 4.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.358 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 15.0 m -60.14 107.4 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.93 0.395 . . . . 0.0 111.071 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.7 p -124.19 138.48 54.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.698 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 133' ' ' PHE . 2.3 p90 -142.14 156.09 45.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.956 0.408 . . . . 0.0 111.324 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 8.8 tt -117.09 127.37 54.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.579 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.41 ' CZ ' ' HA3' ' A' ' 35' ' ' GLY . 59.1 t80 -99.25 141.59 31.83 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 122.015 0.912 . . . . 0.0 112.025 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt -154.54 146.73 23.76 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 113.732 -1.576 . . . . 0.0 110.677 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.489 ' HE1' HD11 ' A' ' 95' ' ' ILE . 3.7 m-85 -72.59 139.82 47.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.93 0.395 . . . . 0.0 110.908 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -129.04 117.3 20.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.055 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.8 t -132.51 81.19 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 13.7 p 58.46 -176.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.954 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 20.0 m -111.28 106.49 15.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 38.3 t -104.19 158.92 16.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.809 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 3.1 p -107.7 -178.69 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -137.52 140.65 41.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.958 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 145' ' ' ILE . 2.8 mp -102.8 25.05 1.41 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.39 0 CA-C-O 121.641 0.734 . . . . 0.0 111.313 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 61.95 168.03 0.11 Allowed 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 114.623 -1.171 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 60.68 102.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -95.11 94.67 8.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.48 -177.67 3.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -119.64 96.45 5.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.54 115.84 6.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.538 HG22 ' O ' ' A' ' 152' ' ' VAL . 10.9 p -104.05 54.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.064 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 16.6 m -136.03 153.41 51.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.61 92.77 4.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -115.1 148.68 38.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 4.1 t -109.82 -60.41 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 8.4 ptt-85 -109.44 114.65 28.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.8 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.5 m -68.86 164.96 20.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.1 t30 . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.825 0.345 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.437 HG22 ' P ' ' B' ' 5' ' ' TPO . 37.3 mm -84.86 146.26 6.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' TPO . . . . . 0.437 ' P ' HG22 ' B' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -150.96 163.24 24.37 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -69.16 173.33 10.59 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.501 2.134 . . . . 0.0 112.324 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -108.91 55.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 60.52 170.78 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.83 136.65 38.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.937 179.964 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.843 0.354 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -77.62 -172.48 2.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -136.21 139.01 42.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -143.04 36.84 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -84.9 78.12 9.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.9 t -94.46 82.84 4.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 62.95 -79.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.064 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -59.98 119.04 37.98 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.812 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -57.88 157.48 24.18 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.398 2.065 . . . . 0.0 112.26 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.8 t -64.76 82.82 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.4 p -128.07 -44.55 1.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -62.18 -176.78 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.845 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -108.62 -118.5 0.27 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.632 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.464 ' N ' HG22 ' A' ' 51' ' ' THR . 0.1 OUTLIER -140.14 138.82 35.54 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.957 0.408 . . . . 0.0 110.638 179.687 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.0 t -71.9 133.26 45.31 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.021 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -131.17 -43.05 1.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.914 179.8 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.48 ' C ' HG22 ' A' ' 50' ' ' ILE . . . -154.35 -178.46 28.76 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.511 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.435 ' CD2' ' HB3' ' A' ' 49' ' ' GLU . 22.1 m80 -144.5 154.73 43.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.933 0.396 . . . . 0.0 110.853 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.2 119.42 33.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.723 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.677 HG22 ' HG3' ' A' ' 47' ' ' LYS . 29.9 t -98.58 122.43 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.084 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -88.18 117.67 27.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.817 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.1 mt -84.81 106.77 16.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.777 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.552 HG23 ' HD2' ' A' ' 42' ' ' PRO . 4.2 mt -124.11 141.04 36.13 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.552 ' HD2' HG23 ' A' ' 41' ' ' ILE . 50.5 Cg_endo -72.28 81.07 1.52 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.12 1.88 . . . . 0.0 112.074 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.44 -19.08 1.32 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.39 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.94 169.88 1.94 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.738 0.304 . . . . 0.0 110.58 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -132.79 154.39 50.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 111.197 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -135.92 124.13 23.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.677 ' HG3' HG22 ' A' ' 38' ' ' VAL . 9.0 ttpt -112.97 125.37 54.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.8 t -120.59 137.08 55.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.435 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 0.3 OUTLIER -80.81 141.96 34.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.501 HD11 HG21 ' A' ' 56' ' ' THR . 0.7 OUTLIER -112.61 127.15 69.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.22 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.763 ' O ' HD23 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -96.84 168.13 10.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.924 -179.811 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -92.39 72.37 5.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.385 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.573 ' C ' ' H ' ' A' ' 55' ' ' VAL . 0.5 OUTLIER -99.37 13.59 32.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.681 -179.711 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.491 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 5.8 m-20 68.56 -30.38 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.134 -0.226 . . . . 0.0 110.546 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.573 ' H ' ' C ' ' A' ' 53' ' ' ARG . 58.1 t -137.44 135.13 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-O 121.026 0.441 . . . . 0.0 111.808 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.784 HG23 ' CB ' ' A' ' 65' ' ' ASP . 53.4 m -125.54 130.79 52.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.9 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -105.65 141.34 37.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.087 0.47 . . . . 0.0 111.53 -179.394 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.473 HD13 ' CD1' ' A' ' 80' ' ' PHE . 4.6 mp -132.27 126.2 55.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.011 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.14 -130.08 2.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.977 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.442 ' HB2' ' CG2' ' A' ' 73' ' ' ILE . 0.1 OUTLIER -112.06 -32.34 6.6 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.727 0.299 . . . . 0.0 111.147 -179.647 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.62 ' HB2' HG23 ' A' ' 75' ' ' THR . 0.3 OUTLIER -42.33 147.17 0.27 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.561 -179.489 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.6 ttm-85 -72.93 -32.52 65.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.9 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.91 -16.09 58.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.358 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 11.3 m -53.11 151.05 5.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.74 0.305 . . . . 0.0 111.098 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.784 ' CB ' HG23 ' A' ' 56' ' ' THR . 2.3 m-20 -68.94 -55.87 9.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.003 0.43 . . . . 0.0 110.781 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -124.37 126.26 71.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.351 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.0 pt -98.49 122.55 50.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.925 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.588 HD12 HD11 ' A' ' 73' ' ' ILE . 40.1 mt -84.35 -120.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 2.2 m -56.99 -97.26 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 69' ' ' SER . 6.5 mm-40 154.71 -66.95 0.0 OUTLIER Pre-proline 0 N--CA 1.468 0.438 0 C-N-CA 122.426 0.29 . . . . 0.0 111.077 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 70' ' ' GLU . 41.7 Cg_endo -67.51 -18.93 49.2 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.436 2.091 . . . . 0.0 113.41 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -135.88 25.23 3.35 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.588 HD11 HD12 ' A' ' 68' ' ' LEU . 5.4 tp -104.94 124.74 59.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.077 0.465 . . . . 0.0 111.501 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.418 ' O ' ' HB2' ' A' ' 77' ' ' HIS . 4.8 m -65.99 137.2 56.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.209 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.795 HG21 ' HA ' ' B' ' 4' ' ' ILE . 91.1 m -66.43 -39.39 88.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.843 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.421 ' O ' ' C ' ' A' ' 77' ' ' HIS . 6.1 m-85 -97.19 13.89 27.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.191 0.519 . . . . 0.0 111.69 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.447 ' CE1' ' HB3' ' A' ' 127' ' ' PHE . 1.7 t-160 -26.47 -69.01 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.826 -1.079 . . . . 0.0 112.585 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.498 ' HB2' ' CE1' ' A' ' 127' ' ' PHE . . . -155.96 159.39 39.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.191 0.52 . . . . 0.0 112.161 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.41 133.05 50.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.937 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.631 ' CE2' HG22 ' A' ' 97' ' ' VAL . 7.6 m-85 -119.36 128.41 54.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.808 0.337 . . . . 0.0 111.064 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.641 ' CD2' HD11 ' A' ' 98' ' ' ILE . 33.8 m-70 -95.03 116.65 28.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.763 HD23 ' O ' ' A' ' 51' ' ' THR . 27.8 tp -106.12 109.59 21.58 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.943 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.409 HD22 ' C ' ' A' ' 82' ' ' LEU . 3.9 mm? -122.26 140.02 53.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.009 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.39 120.97 39.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.787 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.03 150.51 44.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -107.11 116.53 32.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.558 HG21 ' HD3' ' A' ' 92' ' ' ARG . 6.3 m -113.35 120.61 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.028 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.84 -61.53 0.47 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -166.47 -42.53 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.809 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -68.18 -171.06 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.686 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -126.88 127.89 45.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.999 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.558 ' HD3' HG21 ' A' ' 87' ' ' VAL . 2.5 ttp180 -112.21 121.65 45.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.804 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.502 ' C ' HD12 ' A' ' 94' ' ' LEU . 6.5 m120 -108.58 130.28 55.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.088 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.502 HD12 ' C ' ' A' ' 93' ' ' ASN . 7.2 mp -132.1 136.67 47.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.571 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.569 ' HB ' HD22 ' A' ' 119' ' ' LEU . 4.2 mp -117.77 140.83 39.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.885 0.374 . . . . 0.0 111.372 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.66 124.52 52.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.638 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.631 HG22 ' CE2' ' A' ' 80' ' ' PHE . 13.9 t -96.6 135.28 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.929 0.395 . . . . 0.0 111.606 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.641 HD11 ' CD2' ' A' ' 81' ' ' HIS . 11.9 mt -121.82 120.76 62.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.605 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.64 117.72 35.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.05 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -147.58 53.74 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.819 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -139.5 173.77 11.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.62 -23.64 9.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.41 -34.43 48.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.72 0.295 . . . . 0.0 111.493 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 113.82 126.18 4.34 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.556 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.469 ' CG2' ' CE1' ' A' ' 127' ' ' PHE . 66.5 m -132.08 123.16 26.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.777 0.322 . . . . 0.0 110.836 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.426 ' CE2' ' HB3' ' A' ' 111' ' ' ARG . 61.7 m-85 -121.16 124.15 44.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.726 HG21 HD12 ' A' ' 112' ' ' LEU . 0.7 OUTLIER -122.99 137.07 57.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.441 0.638 . . . . 0.0 111.211 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.456 ' N ' HG13 ' A' ' 107' ' ' ILE . 10.4 m120 60.04 28.42 17.96 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.669 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.67 13.05 74.63 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.9 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -131.57 137.64 48.53 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.866 0.365 . . . . 0.0 110.542 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.426 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -65.28 132.42 49.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.726 HD12 HG21 ' A' ' 107' ' ' ILE . 2.3 tt -89.11 133.88 34.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.981 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.416 HG23 ' N ' ' A' ' 114' ' ' LYS . 5.7 m -138.24 -46.77 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.416 ' N ' HG23 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -59.62 158.8 9.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.985 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.75 158.08 15.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 38.4 t70 59.67 64.06 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -84.07 138.4 33.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.075 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.485 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.3 tp -98.66 121.78 49.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.569 HD22 ' HB ' ' A' ' 95' ' ' ILE . 6.4 tt -103.15 136.83 42.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.171 0.51 . . . . 0.0 111.8 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -118.68 155.77 30.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.357 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.603 ' HB2' ' CE2' ' A' ' 137' ' ' TYR . 1.7 m-80 -77.09 148.23 36.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.152 0.501 . . . . 0.0 111.542 -178.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 87.63 37.56 7.98 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.476 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.71 ' O ' HD22 ' A' ' 134' ' ' LEU . 0.8 OUTLIER -132.54 164.14 27.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.951 0.405 . . . . 0.0 111.269 -179.491 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -100.91 127.12 47.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.956 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.426 ' HB ' ' CZ ' ' A' ' 133' ' ' PHE . 3.1 mp -118.4 121.93 68.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 20.5 t -111.56 123.92 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.305 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.498 ' CE1' ' HB2' ' A' ' 78' ' ' ALA . 9.8 m-85 -121.09 132.24 54.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.817 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 92.72 -69.96 1.65 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.275 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.2 -34.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.628 0.251 . . . . 0.0 111.311 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 79.1 p -120.77 -38.15 2.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.668 0.27 . . . . 0.0 111.642 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 28.7 m -53.04 105.09 0.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.979 0.419 . . . . 0.0 111.247 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 59.9 p -124.39 135.07 53.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 133' ' ' PHE . 2.4 p90 -142.16 156.07 45.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.913 0.387 . . . . 0.0 111.19 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.71 HD22 ' O ' ' A' ' 123' ' ' ASP . 0.3 OUTLIER -114.96 112.88 23.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.583 179.542 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.483 ' HD2' HD21 ' A' ' 119' ' ' LEU . 22.2 t80 -91.85 140.96 29.17 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 121.637 0.732 . . . . 0.0 111.035 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.51 ' HE2' HD12 ' A' ' 134' ' ' LEU . 10.5 mtmt -154.93 157.88 38.42 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.0 -1.454 . . . . 0.0 111.279 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.603 ' CE2' ' HB2' ' A' ' 121' ' ' ASN . 57.2 m-85 -76.28 140.87 41.73 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.187 0.517 . . . . 0.0 110.349 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -117.85 31.57 6.63 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.1 t -102.21 -31.15 10.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 8.5 p -153.22 58.94 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 83.4 p -105.66 -60.91 1.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.8 t -113.01 -67.67 0.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 2.1 m 57.3 96.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.987 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -149.99 97.97 2.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 145' ' ' ILE . 20.1 mt -109.62 24.91 3.26 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-O 121.733 0.778 . . . . 0.0 111.386 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -118.37 143.42 46.65 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 114.548 -1.206 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -105.7 112.88 26.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.7 171.19 7.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.02 155.69 20.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -95.22 -54.6 3.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.71 171.59 11.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.976 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 11.4 p -165.71 141.6 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.9 p -147.12 132.1 18.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 11.1 p 59.74 110.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -86.15 -47.01 9.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 33.6 t 60.32 -174.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.03 -45.26 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 27.1 p -122.05 130.28 53.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.923 179.922 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.9 0.381 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.795 ' HA ' HG21 ' A' ' 75' ' ' THR . 21.6 mt 65.1 74.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.161 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? 63.53 119.22 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.91 178.92 4.17 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.401 2.067 . . . . 0.0 112.33 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -100.1 160.65 14.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -81.82 87.8 6.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 22.8 t -110.43 -170.97 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.0 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.942 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.8 0.333 . . . . 0.0 111.254 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 tpt85 -85.79 117.83 24.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.018 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -99.02 -66.17 0.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.947 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -93.24 119.42 32.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -117.01 -40.25 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.951 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.6 t -82.72 133.8 35.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 60.35 159.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.418 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 3.1 mttp -87.75 -51.95 0.4 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.418 ' CD ' ' N ' ' A' ' 26' ' ' LYS . 32.9 Cg_exo -57.8 159.0 18.62 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.485 2.123 . . . . 0.0 112.262 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.6 m -114.87 164.38 14.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.821 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 m -145.8 -68.23 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.43 118.8 23.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.008 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.4 ' HB2' ' CG2' ' A' ' 51' ' ' THR . 5.0 m-85 -104.92 -113.26 0.25 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.544 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.404 ' N ' HG22 ' A' ' 51' ' ' THR . 0.1 OUTLIER -140.26 128.94 23.03 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.825 0.345 . . . . 0.0 110.591 179.77 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.68 145.06 53.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.594 HD21 ' ND2' ' A' ' 93' ' ' ASN . 9.8 tp -150.81 -46.87 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.834 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.772 ' C ' HG22 ' A' ' 50' ' ' ILE . . . -139.05 -179.11 17.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.393 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.67 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 50.1 m80 -145.04 163.06 35.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.902 0.382 . . . . 0.0 111.02 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.567 HD11 ' HB ' ' A' ' 50' ' ' ILE . 3.1 mp -127.13 111.47 14.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.738 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.7 t -95.89 121.77 46.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.993 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -90.09 124.86 35.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -80.65 106.64 12.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.804 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.811 HD12 ' O ' ' A' ' 44' ' ' LYS . 2.7 mt -124.15 139.8 33.49 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.795 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.567 ' HD2' HG22 ' A' ' 41' ' ' ILE . 73.7 Cg_endo -76.44 -3.65 14.07 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.358 2.039 . . . . 0.0 112.66 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -113.78 -28.82 3.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.435 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.811 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER 176.06 120.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.729 0.299 . . . . 0.0 110.777 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -71.51 154.65 41.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.022 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -129.06 141.16 51.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.773 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -113.13 129.46 56.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.014 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.6 t -122.64 140.9 45.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.939 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.18 137.5 33.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.914 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.772 HG22 ' C ' ' A' ' 35' ' ' GLY . 1.3 tt -116.12 132.14 66.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.404 HG22 ' N ' ' A' ' 32' ' ' THR . 0.5 OUTLIER -100.9 166.9 10.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.047 -179.7 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -85.09 69.2 10.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.018 0.437 . . . . 0.0 110.47 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.587 ' C ' ' H ' ' A' ' 55' ' ' VAL . 18.1 ttt180 -87.08 8.38 23.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.831 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.479 ' HB2' ' O ' ' A' ' 53' ' ' ARG . 13.9 m-80 69.23 -36.79 0.35 Allowed 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 -178.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.587 ' H ' ' C ' ' A' ' 53' ' ' ARG . 78.8 t -137.47 135.35 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.263 179.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.751 HG23 ' CB ' ' A' ' 65' ' ' ASP . 96.2 m -125.26 130.11 51.39 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.496 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.415 ' N ' ' HB2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.97 138.71 40.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.864 0.364 . . . . 0.0 111.051 -179.814 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.595 ' N ' HD12 ' A' ' 58' ' ' ILE . 3.8 mp -124.22 119.41 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.68 -132.95 2.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.392 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.553 ' CD ' HG22 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -119.98 -21.14 7.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.644 0.259 . . . . 0.0 111.432 -179.855 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.52 154.9 0.85 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.871 0.367 . . . . 0.0 111.154 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -73.97 -42.34 60.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.967 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.3 m -69.95 -17.89 63.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.212 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 21.8 m -55.73 161.82 1.99 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.957 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.751 ' CB ' HG23 ' A' ' 56' ' ' THR . 0.9 OUTLIER -82.63 -66.63 0.87 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.026 0.441 . . . . 0.0 110.886 179.787 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.2 t -101.7 104.18 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.07 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.405 ' O ' HD12 ' A' ' 67' ' ' ILE . 1.9 pp -92.04 116.87 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.25 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.618 HD13 HD11 ' A' ' 73' ' ' ILE . 0.6 OUTLIER -87.74 164.95 15.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 179.845 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.4 t -104.7 65.36 0.75 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -125.8 133.85 25.31 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.05 -16.14 48.54 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.513 2.142 . . . . 0.0 112.547 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -125.02 27.35 6.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.71 0.29 . . . . 0.0 111.258 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.618 HD11 HD13 ' A' ' 68' ' ' LEU . 2.5 tp -76.26 124.05 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.367 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.0 m -62.29 132.14 51.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.281 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.6 m -67.5 -43.62 80.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.719 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 77' ' ' HIS . 0.2 OUTLIER -97.49 13.79 28.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.235 179.768 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -20.09 -71.99 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.599 -1.182 . . . . 0.0 112.805 -179.351 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . . . -155.7 164.03 39.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.15 0.5 . . . . 0.0 112.063 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -129.45 133.3 47.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.218 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.674 ' CE2' HG22 ' A' ' 97' ' ' VAL . 7.1 m-85 -119.43 131.07 55.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.037 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.433 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 11.0 m-70 -94.83 116.39 28.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.922 0.392 . . . . 0.0 111.129 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.57 109.55 21.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.746 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.07 140.05 52.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.105 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -103.91 138.29 40.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.5 ttt -155.01 137.65 15.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.962 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -107.0 139.95 40.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.96 139.08 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.3 t0 69.7 -65.33 0.31 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 2.3 t30 179.34 38.18 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.401 ' CG ' ' O ' ' A' ' 89' ' ' ASN . 78.6 m-85 -157.7 158.82 36.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.806 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -99.88 127.97 46.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -112.94 150.53 31.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.748 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.594 ' ND2' HD21 ' A' ' 34' ' ' LEU . 8.9 m120 -114.06 120.02 39.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.043 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.0 mt -115.04 125.59 53.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.57 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.614 ' N ' HD12 ' A' ' 95' ' ' ILE . 2.8 mp -118.62 141.06 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.23 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.94 144.22 43.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.766 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.674 HG22 ' CE2' ' A' ' 80' ' ' PHE . 20.9 t -112.82 123.42 68.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.165 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.67 HG23 ' HE3' ' A' ' 115' ' ' LYS . 4.1 mp -130.04 121.21 51.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.469 ' HB2' HD13 ' A' ' 112' ' ' LEU . 0.3 OUTLIER -111.25 126.56 55.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -94.21 3.73 54.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.431 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.4 m 58.81 92.62 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.76 0.314 . . . . 0.0 111.008 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 14.1 mmt-85 -121.74 -71.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.762 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -112.4 -34.93 5.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 145.57 116.23 1.01 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.555 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.432 ' CG2' ' CE1' ' A' ' 127' ' ' PHE . 1.0 OUTLIER -131.99 130.56 41.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.341 . . . . 0.0 110.91 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -119.77 136.39 54.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.451 HG21 ' HG ' ' A' ' 112' ' ' LEU . 3.1 tp -122.1 137.19 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.451 0.643 . . . . 0.0 111.217 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.429 ' H ' HD12 ' A' ' 107' ' ' ILE . 11.0 m120 59.87 29.61 19.17 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.681 -179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.7 13.1 74.79 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.836 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -134.15 151.97 51.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.769 0.319 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 129.88 41.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.469 HD13 ' HB2' ' A' ' 99' ' ' ASP . 1.2 tt -75.87 125.91 29.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 113' ' ' VAL . 10.3 p -143.87 51.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.087 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -165.13 148.92 8.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.67 ' HE3' HG23 ' A' ' 98' ' ' ILE . 1.6 tpmp? -97.08 151.97 19.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 34.9 t0 62.83 58.51 1.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.08 137.79 33.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.731 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.546 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.6 tp -98.66 118.03 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.34 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.538 HD23 ' C ' ' A' ' 119' ' ' LEU . 9.4 tt -103.1 134.63 46.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.466 ' N ' HD23 ' A' ' 119' ' ' LEU . 3.4 tptt -125.77 178.15 5.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.821 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.428 ' HB2' ' CE2' ' A' ' 137' ' ' TYR . 9.1 t30 -53.67 143.67 19.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.52 51.37 26.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.459 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.12 120.84 40.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.829 0.347 . . . . 0.0 111.057 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.598 ' HG2' HD12 ' A' ' 134' ' ' LEU . 1.4 mmt85 -91.85 125.74 36.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.745 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.471 HD11 HD11 ' A' ' 119' ' ' LEU . 2.2 mp -126.65 137.87 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.325 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 28.7 t -120.0 127.58 75.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 78' ' ' ALA . 3.3 m-85 -114.56 137.61 51.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.118 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 80.99 -67.49 3.59 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.446 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.6 -34.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.762 0.315 . . . . 0.0 111.044 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.31 -42.03 3.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.271 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 51.8 m -54.16 106.03 0.18 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.928 0.394 . . . . 0.0 111.102 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.3 m -124.2 128.67 49.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.78 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.438 ' CE1' ' HB ' ' A' ' 125' ' ' ILE . 12.2 p90 -141.98 155.86 45.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.087 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.598 HD12 ' HG2' ' A' ' 124' ' ' ARG . 10.1 tt -118.55 139.4 51.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.765 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.499 ' HE2' HG21 ' A' ' 50' ' ' ILE . 21.5 t80 -100.45 141.51 33.2 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 122.023 0.916 . . . . 0.0 111.769 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -154.63 159.74 41.0 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 113.807 -1.542 . . . . 0.0 110.906 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.442 ' CE1' ' HB2' ' A' ' 93' ' ' ASN . 4.4 m-85 -86.11 139.99 30.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.995 0.426 . . . . 0.0 110.634 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.67 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . . . -84.23 89.77 7.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.262 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 29.1 t -156.93 163.25 39.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 22.7 t -131.84 -65.32 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 66.7 m -130.32 139.33 50.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.8 m -129.54 31.42 4.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 10.7 m -89.52 -48.55 7.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -171.03 100.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.593 HG22 ' O ' ' A' ' 145' ' ' ILE . 19.3 mt -102.54 25.05 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.329 0 CA-C-O 121.691 0.758 . . . . 0.0 111.314 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -106.68 106.56 17.14 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 114.581 -1.19 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.61 -49.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -155.75 116.87 3.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.11 -68.1 0.83 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -115.84 -62.19 1.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -126.47 -176.91 3.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 31.1 m -90.17 51.38 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 70.8 m -97.54 -176.84 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 8.6 p -154.73 -65.33 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.19 109.58 21.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 29.3 t -65.1 143.41 57.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.47 102.47 8.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.979 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.9 m -141.83 166.09 25.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 120.779 0.323 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.1 142.63 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' TPO . . . . . 0.62 ' O3P' HG22 ' B' ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -63.38 114.11 11.86 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.829 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -56.05 -165.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.462 2.108 . . . . 0.0 112.271 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' TPO . . . . . 0.451 HG23 ' N ' ' B' ' 9' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.451 ' N ' HG23 ' B' ' 8' ' ' TPO . 1.3 tm0? -139.94 170.07 16.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.18 93.96 9.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.767 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.21 156.68 31.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.898 179.959 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.819 0.342 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -103.53 102.25 12.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -111.83 128.43 56.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.06 31.36 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -162.54 138.34 7.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.7 p -143.65 176.64 9.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -147.31 -47.36 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -130.43 150.83 77.34 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -57.86 157.54 23.88 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.521 2.148 . . . . 0.0 112.21 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.0 m -115.55 -58.3 2.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m -152.98 152.63 31.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -74.1 179.39 4.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -69.8 -101.88 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.493 ' C ' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.51 128.68 22.28 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-O 120.725 0.298 . . . . 0.0 110.633 179.66 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.6 t -76.47 128.37 34.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.84 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 tt -144.9 -44.73 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.192 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.696 ' C ' HG22 ' A' ' 50' ' ' ILE . . . -126.97 173.03 18.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.648 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.434 ' CD2' ' HA ' ' A' ' 49' ' ' GLU . 50.8 m80 -145.47 163.23 35.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mt -124.76 126.31 45.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.799 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.7 t -108.9 123.57 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.099 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -89.92 120.18 30.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.752 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.659 ' O ' HD13 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -86.5 106.94 17.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 -179.874 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.659 HD13 ' O ' ' A' ' 40' ' ' LEU . 9.1 mm -124.15 141.3 36.89 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.53 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.553 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 45.7 Cg_endo -70.97 -3.87 13.68 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.183 1.922 . . . . 0.0 112.895 -179.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -114.71 -9.3 14.45 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.589 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.23 -175.26 0.06 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.757 0.313 . . . . 0.0 110.801 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -137.56 136.22 37.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.843 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -120.96 135.69 55.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.97 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -113.09 130.98 55.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.8 t -120.55 149.76 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.434 ' HA ' ' CD2' ' A' ' 36' ' ' HIS . 1.5 pt-20 -101.77 132.37 47.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.691 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.696 HG22 ' C ' ' A' ' 35' ' ' GLY . 2.7 tt -115.34 132.08 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.122 0.486 . . . . 0.0 111.359 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.792 ' O ' HD23 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -99.8 168.02 10.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.988 -179.621 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -80.92 62.03 4.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.097 0.475 . . . . 0.0 110.114 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.549 ' C ' ' H ' ' A' ' 55' ' ' VAL . 9.0 ttt85 -80.16 1.47 28.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.158 -179.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.411 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 10.0 t-20 71.9 -36.3 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -178.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.549 ' H ' ' C ' ' A' ' 53' ' ' ARG . 74.8 t -137.28 139.15 44.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.781 179.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.693 HG23 ' HB3' ' A' ' 65' ' ' ASP . 53.7 m -125.27 125.18 43.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.165 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.2 OUTLIER -103.83 120.41 40.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.94 0.4 . . . . 0.0 110.831 -179.849 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.89 HG22 HD11 ' A' ' 68' ' ' LEU . 6.8 mt -109.33 122.17 63.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.077 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.44 -154.55 20.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.484 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.427 ' CG ' HG22 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -93.36 -26.58 17.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.666 0.27 . . . . 0.0 110.983 -179.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.702 ' HB2' HG23 ' A' ' 75' ' ' THR . 3.2 t -51.29 150.8 3.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.07 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -75.89 -33.49 59.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.1 m -69.79 -20.58 63.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.048 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 3.4 m -53.17 135.29 38.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.058 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.693 ' HB3' HG23 ' A' ' 56' ' ' THR . 8.4 t70 -58.19 -41.01 82.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.062 0.458 . . . . 0.0 110.615 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.8 t -124.86 111.9 29.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.587 HD12 ' H ' ' A' ' 67' ' ' ILE . 3.1 mp -92.88 118.53 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.15 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.89 HD11 HG22 ' A' ' 58' ' ' ILE . 4.9 mp -72.17 -176.06 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 m -112.24 27.29 9.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.265 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.417 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 0.2 OUTLIER -105.36 120.36 49.83 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.58 179.688 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -57.68 -16.17 23.7 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.506 2.137 . . . . 0.0 112.865 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -133.48 37.2 3.34 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.583 0.23 . . . . 0.0 111.591 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.88 HG12 HD13 ' A' ' 68' ' ' LEU . 3.6 tp -75.99 146.56 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.308 . . . . 0.0 110.838 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.09 130.51 46.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.234 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.702 HG23 ' HB2' ' A' ' 61' ' ' SER . 60.4 m -68.39 -44.07 75.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.633 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 77' ' ' HIS . 49.6 m-85 -100.66 13.89 33.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.162 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.5 ' CD2' ' CD2' ' A' ' 127' ' ' PHE . 2.7 t60 -21.96 -67.48 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.584 -1.189 . . . . 0.0 112.656 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . . . -156.28 161.92 40.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.965 0.412 . . . . 0.0 111.774 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -128.67 133.99 48.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.496 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.837 ' CE2' HG22 ' A' ' 97' ' ' VAL . 7.6 m-85 -119.54 127.28 52.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.857 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.411 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 11.1 m170 -94.86 116.47 28.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.902 0.382 . . . . 0.0 111.364 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.792 HD23 ' O ' ' A' ' 51' ' ' THR . 22.8 tp -106.62 109.66 21.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.572 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.482 HD23 ' N ' ' A' ' 84' ' ' GLN . 1.3 tt -122.14 140.07 52.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.482 ' N ' HD23 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -100.5 121.0 40.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.74 179.879 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.2 138.57 51.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -103.38 115.9 31.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.517 HG12 ' HG2' ' A' ' 92' ' ' ARG . 11.3 p -140.0 127.17 23.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.033 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 65.64 -171.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.765 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.83 -57.4 5.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.285 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -84.87 -176.46 6.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -128.23 143.28 51.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.517 ' HG2' HG12 ' A' ' 87' ' ' VAL . 5.1 ptp180 -117.03 146.0 43.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.956 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -113.95 126.6 55.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 11.7 mt -108.39 135.79 49.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' ' 95' ' ' ILE . 4.1 mp -121.36 136.78 57.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.152 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.5 144.11 43.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.734 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.837 HG22 ' CE2' ' A' ' 80' ' ' PHE . 21.8 t -110.05 129.73 64.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.255 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.9 mm -126.25 130.46 72.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.059 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -130.24 130.35 44.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.45 9.48 37.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.399 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 m 59.11 109.55 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.855 0.359 . . . . 0.0 111.074 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.28 -47.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.805 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -127.24 -43.62 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.177 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 145.17 110.91 0.7 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.436 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.78 123.56 41.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.34 . . . . 0.0 111.039 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -120.98 137.44 54.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.544 HD12 ' O ' ' A' ' 124' ' ' ARG . 3.2 tp -122.93 137.19 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.451 0.643 . . . . 0.0 111.374 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.519 ' H ' HD12 ' A' ' 107' ' ' ILE . 13.7 m120 64.35 27.46 13.7 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.794 -179.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.67 10.77 72.09 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.975 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -134.06 150.7 51.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.785 0.326 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.93 136.45 54.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.459 ' O ' HD12 ' A' ' 112' ' ' LEU . 4.4 pp -77.37 141.72 39.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.974 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.481 HG13 ' N ' ' A' ' 114' ' ' LYS . 11.1 p -128.5 -44.91 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.098 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.481 ' N ' HG13 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -78.44 158.01 28.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -94.22 153.22 18.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.978 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.6 t70 60.1 75.32 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -84.07 139.16 32.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.534 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.2 tp -98.55 119.26 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.205 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.753 HD11 HD11 ' A' ' 125' ' ' ILE . 10.5 tt -103.02 139.48 38.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.017 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.419 ' N ' HD23 ' A' ' 119' ' ' LEU . 8.9 mtpt -135.05 178.07 7.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.809 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 8.2 p-10 -57.04 140.52 48.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 74.71 37.45 45.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.398 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.64 129.0 56.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.727 0.298 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.698 ' HG3' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -101.65 129.56 47.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.753 HD11 HD11 ' A' ' 119' ' ' LEU . 2.0 mp -124.09 136.28 60.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.013 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.565 HG22 ' OG ' ' A' ' 132' ' ' SER . 38.0 t -115.04 128.51 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.133 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.533 ' CZ ' ' HB3' ' A' ' 78' ' ' ALA . 2.8 m-85 -110.37 140.32 44.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 72.35 -64.67 1.35 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.436 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 170.26 -35.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.753 0.311 . . . . 0.0 110.951 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.3 -42.8 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.511 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 71.8 m -55.55 107.09 0.29 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.148 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.565 ' OG ' HG22 ' A' ' 126' ' ' VAL . 4.3 m -124.23 128.86 49.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.822 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.433 ' CE2' ' HB ' ' A' ' 125' ' ' ILE . 16.4 p90 -142.0 156.1 45.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.917 0.389 . . . . 0.0 111.065 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.698 HD12 ' HG3' ' A' ' 124' ' ' ARG . 6.0 tt -120.56 138.93 53.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.746 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.444 ' HE1' HG21 ' A' ' 50' ' ' ILE . 81.9 t80 -103.45 141.71 35.51 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 121.979 0.895 . . . . 0.0 111.849 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -154.27 147.43 24.74 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 113.848 -1.523 . . . . 0.0 110.701 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 137' ' ' TYR . 0.5 OUTLIER -78.64 139.48 38.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.919 0.39 . . . . 0.0 110.841 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -107.57 130.21 54.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.087 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 57.2 p -121.24 88.61 2.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.44 30.56 20.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 18.6 p -67.45 146.71 53.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.1 t -133.48 155.45 49.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 37.1 p -139.92 35.87 1.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.85 144.91 13.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.586 HG22 ' O ' ' A' ' 145' ' ' ILE . 19.6 mm -102.5 25.34 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 CA-C-O 121.651 0.739 . . . . 0.0 111.359 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 61.54 32.81 18.66 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 114.581 -1.19 . . . . 0.0 110.832 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -154.84 94.95 1.71 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -148.39 -48.32 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -81.27 114.24 19.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.43 163.03 17.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -153.45 131.79 12.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 26.3 t -119.85 122.65 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.138 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.7 m -123.16 48.22 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.89 -65.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -152.08 129.25 11.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 1.7 p -80.91 -177.54 6.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 3.7 mmt-85 -66.53 136.53 55.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 14.3 p -129.35 -45.83 1.22 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.4 m120 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.811 0.339 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 19.4 mt -119.6 148.63 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.079 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' TPO . . . . . 0.634 ' O3P' HG22 ' B' ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -114.08 150.42 43.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.39 -168.11 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.597 2.198 . . . . 0.0 112.326 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -123.89 54.46 1.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.986 0.422 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 59.51 -170.78 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 55.9 m -90.97 -178.03 5.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.881 180.0 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.814 0.34 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 60.0 107.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.6 93.31 4.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -146.35 -68.68 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -70.13 -46.41 64.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.808 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.5 m 60.19 177.76 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -157.16 139.14 14.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.1 132.24 21.56 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.84 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -57.81 147.13 82.7 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.383 2.055 . . . . 0.0 112.205 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.49 149.08 25.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 m -98.6 30.24 3.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.95 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.16 119.8 24.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.406 ' N ' HG21 ' A' ' 51' ' ' THR . 4.2 m-85 -67.08 -99.86 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.553 ' N ' HG22 ' A' ' 51' ' ' THR . 0.0 OUTLIER -140.41 130.24 24.52 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.755 0.312 . . . . 0.0 110.488 179.752 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.89 144.97 47.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.088 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 34' ' ' LEU . 1.2 tm? -150.1 -46.1 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.775 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.714 ' C ' HG22 ' A' ' 50' ' ' ILE . . . -149.99 -175.77 22.47 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.366 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -147.15 162.41 38.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.897 0.38 . . . . 0.0 111.072 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.5 mp -126.9 124.68 40.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.638 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.56 121.96 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.073 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -89.43 113.96 25.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -77.7 106.83 9.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.414 HG22 ' HD2' ' A' ' 42' ' ' PRO . 8.0 mt -124.08 138.96 31.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.962 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.414 ' HD2' HG22 ' A' ' 41' ' ' ILE . 52.4 Cg_exo -52.59 -25.73 26.81 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.489 2.126 . . . . 0.0 112.523 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.25 -29.74 18.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.563 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.24 -167.79 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.48 129.83 50.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.971 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.32 127.67 49.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.63 130.25 46.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.034 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 37.6 t -122.45 149.52 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -101.93 135.5 43.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.958 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.714 HG22 ' C ' ' A' ' 35' ' ' GLY . 1.8 tt -116.13 132.06 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.167 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.553 HG22 ' N ' ' A' ' 32' ' ' THR . 0.4 OUTLIER -101.62 168.05 9.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.994 -179.717 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -92.45 66.8 4.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.148 0.499 . . . . 0.0 110.332 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.574 ' C ' ' H ' ' A' ' 55' ' ' VAL . 14.8 ttt85 -85.37 7.58 21.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.996 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.432 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 1.0 OUTLIER 71.73 -38.4 0.42 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 -178.684 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.574 ' H ' ' C ' ' A' ' 53' ' ' ARG . 77.7 t -137.35 135.2 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.255 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.777 HG23 ' CB ' ' A' ' 65' ' ' ASP . 97.2 m -125.2 131.33 53.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.449 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.41 ' N ' ' HB2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.88 137.32 42.05 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.935 0.398 . . . . 0.0 110.875 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.656 HG22 HD11 ' A' ' 68' ' ' LEU . 26.9 mt -121.59 119.07 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.15 -140.67 6.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.295 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.615 ' HD2' HG22 ' A' ' 73' ' ' ILE . 8.5 ttt-85 -113.1 -21.21 11.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.67 0.271 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.766 ' HA ' HG21 ' B' ' 5' ' ' TPO . 0.1 OUTLIER -47.6 152.21 0.72 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.9 0.381 . . . . 0.0 111.304 -179.822 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.35 -40.34 67.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.6 t -72.1 -19.56 61.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.367 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 18.0 m -54.85 160.02 2.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.726 0.298 . . . . 0.0 111.004 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.777 ' CB ' HG23 ' A' ' 56' ' ' THR . 1.0 OUTLIER -80.7 -66.07 0.93 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.01 0.433 . . . . 0.0 110.845 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.6 t -97.6 108.44 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.181 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.7 pt -91.92 104.9 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.045 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.733 HD13 HG12 ' A' ' 73' ' ' ILE . 4.3 mp -72.37 -176.79 1.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.42 37.23 4.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.95 124.24 44.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.701 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -56.0 -18.62 23.2 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.475 2.117 . . . . 0.0 112.713 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -127.77 33.31 4.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.694 0.283 . . . . 0.0 111.215 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.733 HG12 HD13 ' A' ' 68' ' ' LEU . 4.2 tp -76.15 125.31 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 111.065 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.42 ' HB3' ' CG ' ' A' ' 77' ' ' HIS . 26.5 t -57.06 131.99 51.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.3 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.6 m -63.07 -44.02 96.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.732 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.461 ' O ' ' C ' ' A' ' 77' ' ' HIS . 7.5 m-85 -103.95 13.81 31.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.3 0.571 . . . . 0.0 111.263 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' A' ' 76' ' ' PHE . 1.8 t-160 -16.03 -68.38 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.548 -1.205 . . . . 0.0 112.909 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.55 160.24 42.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.092 0.472 . . . . 0.0 112.058 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -125.61 133.63 52.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.132 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.617 ' CE2' HG22 ' A' ' 97' ' ' VAL . 7.2 m-85 -119.43 131.03 55.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.786 0.326 . . . . 0.0 111.107 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.432 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 7.8 m-70 -94.99 116.29 28.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.905 0.383 . . . . 0.0 110.971 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.414 HD13 HG12 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -106.67 109.7 21.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.765 179.723 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.05 140.01 53.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.068 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -108.61 120.96 43.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.766 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -128.55 127.31 42.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -107.04 123.32 48.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.01 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.0 t -121.58 135.65 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.971 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 70.1 -61.76 0.45 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -171.4 -41.59 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.813 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -65.92 -172.87 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.768 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.28 127.83 50.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -117.04 117.4 29.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -113.81 130.97 56.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.068 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.441 HD21 ' NZ ' ' A' ' 120' ' ' LYS . 1.8 mt -122.99 136.33 54.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.681 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.526 ' N ' HD12 ' A' ' 95' ' ' ILE . 3.9 mp -118.65 134.9 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.148 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.15 140.63 48.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.739 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.617 HG22 ' CE2' ' A' ' 80' ' ' PHE . 18.5 t -105.16 134.92 45.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.215 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.497 HD13 ' O ' ' A' ' 97' ' ' VAL . 28.1 mm -129.05 121.11 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.061 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -111.04 128.79 55.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.46 35.2 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.3 m -116.75 -178.18 3.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.82 79.81 1.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -153.83 -59.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.26 107.77 0.59 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.467 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.528 HG23 ' CE1' ' A' ' 127' ' ' PHE . 90.2 m -115.09 127.22 55.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 110.987 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -121.04 115.04 22.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.762 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.506 HG21 HD12 ' A' ' 112' ' ' LEU . 2.7 tp -116.01 137.23 50.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.468 0.651 . . . . 0.0 111.401 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 61.58 27.04 16.61 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.69 11.83 73.47 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.881 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -134.08 151.95 51.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.834 0.35 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 -71.95 136.76 46.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.506 HD12 HG21 ' A' ' 107' ' ' ILE . 2.6 tt -78.21 130.7 36.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 114' ' ' LYS . 11.0 p -121.29 -44.99 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.486 ' N ' HG13 ' A' ' 113' ' ' VAL . 15.0 tttt -93.01 143.63 26.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.84 167.51 20.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.998 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.2 t70 60.69 64.44 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -83.92 138.79 32.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.476 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.1 tp -98.68 120.73 48.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.98 0.419 . . . . 0.0 111.278 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.892 HD11 HD11 ' A' ' 125' ' ' ILE . 9.0 tt -103.09 132.92 48.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.0 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.441 ' NZ ' HD21 ' A' ' 94' ' ' LEU . 6.4 mtpp -130.1 178.19 6.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.841 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.456 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 6.1 p30 -52.29 146.58 9.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 64.57 44.79 94.59 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.363 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.19 118.6 32.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 111.067 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.11 123.91 34.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.671 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.892 HD11 HD11 ' A' ' 119' ' ' LEU . 2.5 mp -114.87 131.35 67.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.286 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 25.9 t -119.7 132.48 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.528 ' CE1' HG23 ' A' ' 105' ' ' THR . 35.7 m-85 -128.79 139.26 52.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.051 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 86.84 -69.35 3.1 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.337 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 9.8 pttp 170.19 -33.41 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.728 0.299 . . . . 0.0 110.989 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.9 p -112.38 -39.17 4.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.456 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 23.9 m -54.79 104.25 0.11 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.899 0.38 . . . . 0.0 111.233 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 58.0 m -124.59 123.82 40.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.816 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -142.1 156.32 45.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.095 0.474 . . . . 0.0 111.305 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 5.7 tp -114.3 136.97 52.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.651 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.434 ' HE2' HG21 ' A' ' 50' ' ' ILE . 28.4 t80 -104.14 141.66 35.85 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.988 0.899 . . . . 0.0 111.907 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -154.3 157.57 38.86 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 113.81 -1.541 . . . . 0.0 110.709 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 121' ' ' ASN . 4.6 m-85 -84.77 139.95 31.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.015 0.436 . . . . 0.0 110.756 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -139.66 87.53 2.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.052 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.95 -55.04 3.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 77.8 p -78.51 -63.77 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.02 116.78 4.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.3 m -158.45 -58.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -142.81 154.79 44.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -97.95 -33.28 11.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.707 HG23 ' N ' ' A' ' 146' ' ' GLU . 0.4 OUTLIER -117.37 -151.03 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.433 -1.324 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.707 ' N ' HG23 ' A' ' 145' ' ' ILE . 8.5 tt0 -162.48 122.24 2.35 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -164.4 87.39 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -170.75 -57.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -108.31 108.39 19.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.984 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.75 158.74 20.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.45 -72.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 11.0 p -103.69 148.76 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.073 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.2 m -104.27 -68.78 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.37 -179.35 3.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.811 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.29 -31.65 10.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.67 176.91 4.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -121.81 102.21 8.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.99 118.34 7.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.1 t30 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.869 0.366 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 14.0 mt 64.2 136.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' TPO . . . . . 0.766 HG21 ' HA ' ' A' ' 61' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -86.87 148.2 45.09 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.17 -168.17 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.508 2.139 . . . . 0.0 112.324 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -142.54 151.11 41.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.3 104.07 3.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.812 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 4.8 m -70.98 122.51 20.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.2 p . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.85 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.793 0.33 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -85.31 -31.43 23.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.961 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.63 155.61 22.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.9 -46.45 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 ttt85 -73.68 -172.46 1.25 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.2 m 59.83 99.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -137.32 -45.72 0.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.025 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.517 ' CB ' ' HD3' ' A' ' 27' ' ' PRO . 1.5 mmtm -141.16 -59.95 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.424 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.517 ' HD3' ' CB ' ' A' ' 26' ' ' LYS . 35.5 Cg_exo -57.81 156.45 28.02 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.173 1.915 . . . . 0.0 112.278 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.62 163.54 27.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.954 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -77.19 -51.38 11.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -149.93 160.89 43.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -62.43 -106.76 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.713 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.484 ' N ' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.28 136.16 33.01 Favored 'General case' 0 C--N 1.334 -0.067 0 CA-C-O 120.802 0.334 . . . . 0.0 110.579 179.568 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.81 144.7 47.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.094 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.434 HD11 ' HG3' ' A' ' 84' ' ' GLN . 0.9 OUTLIER -147.5 -46.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.813 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.68 ' C ' HG22 ' A' ' 50' ' ' ILE . . . -149.66 -173.29 19.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.361 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.563 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 55.2 m80 -147.08 162.85 37.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.023 0.439 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.548 HD13 HG21 ' A' ' 66' ' ' VAL . 3.8 mt -127.01 110.53 13.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.634 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -96.37 121.84 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.327 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -90.14 115.54 27.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 40' ' ' LEU . 4.7 mp -95.0 106.85 18.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.799 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.4 mt -124.15 139.23 32.25 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.015 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.84 89.6 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.463 2.109 . . . . 0.0 112.247 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.2 51.92 1.82 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 175.02 -176.79 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.867 0.365 . . . . 0.0 110.839 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -175.95 136.43 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -139.65 127.85 22.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -113.0 127.69 56.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.2 t -120.15 151.03 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.216 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -101.57 134.47 44.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.68 HG22 ' C ' ' A' ' 35' ' ' GLY . 8.4 tt -116.07 132.04 66.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.306 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.484 HG22 ' N ' ' A' ' 32' ' ' THR . 0.2 OUTLIER -98.22 165.18 12.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.981 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -77.61 64.64 2.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.079 0.466 . . . . 0.0 110.298 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.551 ' C ' ' H ' ' A' ' 55' ' ' VAL . 11.7 ttt-85 -81.89 2.54 30.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.097 -179.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.428 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 4.0 m120 71.37 -38.0 0.41 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.551 ' H ' ' C ' ' A' ' 53' ' ' ARG . 74.9 t -137.27 137.22 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.775 179.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.77 HG23 ' CB ' ' A' ' 65' ' ' ASP . 86.9 m -125.23 130.05 51.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.146 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.83 140.73 37.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.932 0.396 . . . . 0.0 111.322 -179.618 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.904 HG22 HD11 ' A' ' 68' ' ' LEU . 4.5 mp -132.38 130.56 60.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.3 -121.18 0.97 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.14 -1.028 . . . . 0.0 113.372 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.459 ' HG3' HG22 ' A' ' 73' ' ' ILE . 1.4 ttt-85 -119.77 -43.9 2.55 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.736 0.303 . . . . 0.0 111.367 -179.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 t -41.88 150.29 0.12 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.549 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.99 -30.73 58.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.934 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.9 m -69.91 -20.68 63.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 34.6 m -57.92 158.39 6.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.789 0.328 . . . . 0.0 110.862 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.77 ' CB ' HG23 ' A' ' 56' ' ' THR . 0.8 OUTLIER -73.28 -57.84 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 111.195 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.548 HG21 HD13 ' A' ' 37' ' ' LEU . 25.4 t -124.32 133.05 70.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.841 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 16.6 pt -99.66 128.21 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.597 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.904 HD11 HG22 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -86.7 -79.47 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.187 -179.596 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 9.1 t -102.35 -104.15 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.51 ' CB ' ' CD ' ' A' ' 71' ' ' PRO . 0.0 OUTLIER 167.72 -68.44 0.0 OUTLIER Pre-proline 0 CA--C 1.531 0.222 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 179.441 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 70' ' ' GLU . 43.4 Cg_endo -67.62 -40.2 10.61 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.42 2.08 . . . . 0.0 113.81 -178.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -118.98 34.3 5.28 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.459 HG22 ' HG3' ' A' ' 60' ' ' ARG . 4.7 tp -110.99 126.21 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.955 0.407 . . . . 0.0 111.184 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 m -59.06 132.35 53.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.155 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.93 -31.51 72.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 77' ' ' HIS . 7.8 m-85 -111.99 13.81 20.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.318 0.58 . . . . 0.0 111.285 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 76' ' ' PHE . 1.1 t60 -18.23 -70.77 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.451 -1.249 . . . . 0.0 113.224 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.629 ' HB3' ' CE2' ' A' ' 127' ' ' PHE . . . -155.26 164.12 39.22 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.112 0.482 . . . . 0.0 112.07 -179.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -131.83 137.6 48.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.384 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.528 ' CE1' HG13 ' A' ' 97' ' ' VAL . 44.6 m-85 -119.37 129.03 54.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.852 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.428 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 7.3 m-70 -94.98 116.05 28.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.857 0.36 . . . . 0.0 111.068 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 82' ' ' LEU . 11.7 tp -106.76 109.73 21.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.755 179.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.482 HD21 ' HG3' ' A' ' 85' ' ' MET . 6.2 tt -121.41 140.11 52.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.138 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.472 ' N ' HD23 ' A' ' 83' ' ' LEU . 2.8 tm0? -127.91 120.97 28.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.82 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.482 ' HG3' HD21 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -134.46 142.03 46.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.81 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -99.68 115.96 30.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.0 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.0 m -113.23 119.26 60.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 t70 77.16 -54.22 0.55 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.061 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -175.55 -39.53 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.825 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.74 ' HB3' HG22 ' A' ' 143' ' ' THR . 95.2 m-85 -79.98 158.29 26.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -101.18 131.92 46.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -111.39 128.31 55.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.418 HD22 HD21 ' A' ' 34' ' ' LEU . 8.7 m120 -113.58 129.14 56.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.593 HD22 HD11 ' A' ' 118' ' ' ILE . 8.0 mt -131.22 137.93 49.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.403 ' CD1' ' CE1' ' A' ' 135' ' ' PHE . 4.0 mp -120.39 139.46 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.071 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.95 134.57 55.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.528 HG13 ' CE1' ' A' ' 80' ' ' PHE . 20.7 t -99.95 122.73 52.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.24 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 9.2 mt -130.05 120.92 50.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.797 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -109.47 129.31 55.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.011 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.1 -9.29 59.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.328 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.7 m 66.92 98.63 0.05 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.806 0.336 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.19 -55.51 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -110.29 -38.96 5.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 124.27 107.87 1.77 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.512 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.9 m -107.06 126.28 52.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.36 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -112.18 126.59 55.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.499 ' CG2' HD13 ' A' ' 112' ' ' LEU . 2.9 tp -114.94 137.38 48.61 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-O 121.482 0.658 . . . . 0.0 111.298 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 62.77 27.54 16.11 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.58 11.67 72.83 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.945 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -134.06 151.95 51.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.787 0.327 . . . . 0.0 110.844 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.26 130.07 40.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.853 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.499 HD13 ' CG2' ' A' ' 107' ' ' ILE . 6.0 tp -100.05 142.06 32.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.62 HG22 ' O ' ' A' ' 113' ' ' VAL . 14.5 p -128.38 30.96 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.01 176.77 4.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -119.03 -40.79 2.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.11 69.48 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.952 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.454 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 10.7 t80 -84.17 139.34 32.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.79 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.593 HD11 HD22 ' A' ' 94' ' ' LEU . 8.8 tp -98.43 121.62 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.187 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.723 HD11 HD11 ' A' ' 125' ' ' ILE . 9.5 tt -102.96 138.64 39.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.002 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -122.82 171.13 9.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.425 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 5.9 p-10 -58.12 138.26 56.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.413 ' HA2' HD21 ' A' ' 134' ' ' LEU . . . 77.51 49.56 7.2 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.495 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.27 127.94 47.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.757 0.313 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.486 ' CG ' HD12 ' A' ' 134' ' ' LEU . 13.5 mtt-85 -89.26 122.6 32.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.803 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.723 HD11 HD11 ' A' ' 119' ' ' LEU . 1.8 mp -123.12 129.6 74.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.8 t -111.65 134.06 55.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.039 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.653 ' HB2' HD22 ' A' ' 68' ' ' LEU . 5.2 m-85 -116.37 137.25 52.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.011 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.68 -64.9 2.55 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.463 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 170.44 -35.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.34 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 18.2 p -106.81 -38.09 6.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.305 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 22.7 m -57.82 105.85 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.906 0.384 . . . . 0.0 111.06 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 72.4 p -124.47 120.8 33.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.192 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 133' ' ' PHE . 1.8 p90 -142.03 152.64 43.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.778 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.486 HD12 ' CG ' ' A' ' 124' ' ' ARG . 5.5 tt -114.48 139.96 49.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.005 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.403 ' CE1' ' CD1' ' A' ' 95' ' ' ILE . 21.8 t80 -106.87 141.71 37.66 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 121.883 0.849 . . . . 0.0 111.539 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -154.52 155.6 35.13 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 114.047 -1.433 . . . . 0.0 110.954 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.425 ' CE2' ' HB3' ' A' ' 121' ' ' ASN . 1.2 m-85 -79.11 139.9 37.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.923 0.392 . . . . 0.0 110.578 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.563 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . . . -89.44 80.48 6.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.002 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.5 p -160.0 -178.52 7.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.838 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -176.7 128.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.32 34.26 22.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.2 m -105.32 -42.73 5.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.74 HG22 ' HB3' ' A' ' 90' ' ' PHE . 41.7 p -121.29 159.92 25.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.06 87.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.586 HG22 ' H ' ' A' ' 146' ' ' GLU . 2.4 mt -110.64 -143.3 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.436 -1.134 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.586 ' H ' HG22 ' A' ' 145' ' ' ILE . 6.2 mt-10 -159.36 76.98 0.7 Allowed 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -147.66 100.06 3.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.27 86.07 3.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.58 78.61 9.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.551 ' HG3' HG23 ' A' ' 152' ' ' VAL . 5.6 tp10 -127.84 -67.5 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 10.8 mttp 61.5 30.52 18.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.814 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.551 HG23 ' HG3' ' A' ' 150' ' ' GLU . 26.8 t -112.34 -43.05 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.048 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.7 t -122.59 50.46 1.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 53.5 p -108.23 -41.76 4.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -172.71 160.14 4.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 37.6 m -93.99 122.94 37.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.02 32.97 3.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.38 -48.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 38.6 p90 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.911 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 t30 . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 120.832 0.348 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 4.2 mt -71.02 89.17 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.14 145.47 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.109 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.03 -167.63 0.49 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.618 2.212 . . . . 0.0 112.163 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -114.49 155.97 25.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.944 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.9 169.02 18.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -86.35 164.79 16.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.811 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 43.5 p . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.859 -179.927 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.805 0.336 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.2 mtt85 -150.5 -179.24 7.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.49 -51.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -104.54 166.77 10.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.7 mtt85 -139.47 177.67 7.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.2 t 60.38 110.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -107.63 97.32 7.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.971 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.22 93.93 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.991 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -68.9 150.82 73.74 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.456 2.104 . . . . 0.0 112.261 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 55.4 p -165.11 -167.2 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m 63.28 103.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.948 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -69.8 175.27 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.403 ' HB2' ' CG2' ' A' ' 51' ' ' THR . 39.3 m-85 -106.4 -112.62 0.27 Allowed 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.936 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.24 128.9 23.0 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.836 0.35 . . . . 0.0 110.64 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.41 145.03 49.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.008 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.14 -46.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.475 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -139.03 166.73 25.35 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.084 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.416 ' CE1' ' CB ' ' A' ' 138' ' ' ALA . 28.3 m80 -134.27 160.27 38.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.895 0.379 . . . . 0.0 111.097 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.686 HD12 HD11 ' A' ' 50' ' ' ILE . 16.5 mt -124.72 115.03 20.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.782 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.2 t -96.01 121.89 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.143 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.595 ' HB3' HD11 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -90.14 116.69 28.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.776 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mp -99.01 106.95 19.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.595 HD11 ' HB3' ' A' ' 39' ' ' ASN . 3.8 mp -124.19 141.28 36.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.831 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.549 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 56.7 Cg_endo -73.26 87.79 1.03 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.169 1.913 . . . . 0.0 111.984 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.29 19.9 4.93 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.46 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 ttpp 179.96 166.43 1.24 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.812 0.339 . . . . 0.0 110.697 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.05 145.32 25.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.953 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -137.54 139.97 40.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -113.06 125.85 54.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.454 HG11 HG13 ' A' ' 66' ' ' VAL . 38.7 t -122.73 149.03 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.175 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -107.96 142.08 38.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.686 HD11 HD12 ' A' ' 37' ' ' LEU . 23.9 mm -116.1 131.49 68.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.376 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.403 ' CG2' ' HB2' ' A' ' 31' ' ' TYR . 0.6 OUTLIER -106.47 168.23 9.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.3 p30 -91.24 66.9 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.094 0.473 . . . . 0.0 110.429 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.57 ' C ' ' H ' ' A' ' 55' ' ' VAL . 20.1 ttt180 -88.07 10.05 20.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.896 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.401 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 0.5 OUTLIER 71.47 -39.34 0.45 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -178.584 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.57 ' H ' ' C ' ' A' ' 53' ' ' ARG . 94.5 t -137.56 137.26 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.254 178.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.768 HG23 ' CB ' ' A' ' 65' ' ' ASP . 60.6 m -125.31 129.18 49.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.333 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.94 137.93 41.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.96 0.41 . . . . 0.0 111.065 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.44 ' CD1' ' CE1' ' A' ' 80' ' ' PHE . 8.2 mt -128.56 118.3 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.29 -141.19 5.61 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.544 -0.836 . . . . 0.0 113.047 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.614 ' NE ' HG22 ' B' ' 5' ' ' TPO . 0.1 OUTLIER -101.25 -30.79 11.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.776 0.322 . . . . 0.0 111.038 -179.631 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.624 ' CB ' HG23 ' A' ' 75' ' ' THR . 0.3 OUTLIER -46.34 157.85 0.12 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.411 -179.647 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.453 ' HB2' ' P ' ' B' ' 5' ' ' TPO . 11.2 ttm180 -85.45 -35.21 21.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.711 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.07 -21.46 63.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 67.0 m -52.55 155.94 2.01 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.768 ' CB ' HG23 ' A' ' 56' ' ' THR . 1.4 m-20 -73.06 -59.02 2.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.39 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.454 HG13 HG11 ' A' ' 48' ' ' VAL . 26.3 t -110.97 131.91 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.141 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.1 pp -97.35 104.92 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.854 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.486 HD23 HD11 ' A' ' 73' ' ' ILE . 2.2 tp -73.74 -152.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.118 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.557 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 16.3 t -35.91 -88.95 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 117.463 0.12 . . . . 0.0 111.1 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.557 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.5 OUTLIER 143.37 -67.17 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.661 0 C-N-CA 123.162 0.585 . . . . 0.0 111.129 179.048 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 70' ' ' GLU . 40.9 Cg_endo -67.28 -13.86 40.91 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.509 2.139 . . . . 0.0 113.415 -179.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -139.71 26.03 2.33 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.756 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.486 HD11 HD23 ' A' ' 68' ' ' LEU . 6.3 tp -106.67 144.66 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.009 0.433 . . . . 0.0 111.423 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 77' ' ' HIS . 63.3 m -87.46 130.87 34.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.234 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.624 HG23 ' CB ' ' A' ' 61' ' ' SER . 17.0 m -55.66 -34.89 65.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.139 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -112.12 14.16 20.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.19 0.519 . . . . 0.0 111.582 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 74' ' ' SER . 6.7 t60 -28.4 -68.74 0.06 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.865 -1.061 . . . . 0.0 112.759 -179.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -149.9 164.08 36.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.158 0.504 . . . . 0.0 112.115 -179.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.9 137.43 41.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.436 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.491 ' HZ ' HD13 ' A' ' 125' ' ' ILE . 7.0 m-85 -119.45 131.23 55.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.012 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.401 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 9.7 m-70 -94.86 116.82 29.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.87 0.367 . . . . 0.0 111.16 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.635 HD11 HG21 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -106.29 109.41 21.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.795 179.744 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.32 140.11 53.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -99.65 131.44 45.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.03 118.74 37.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -84.28 122.75 29.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.076 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.0 t -140.03 139.38 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.947 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -44.73 -66.33 0.41 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.519 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -49.9 -79.93 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.28 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -139.07 148.06 42.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.74 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -82.8 128.04 34.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.002 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 -117.05 139.44 50.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -114.02 131.65 56.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.8 mp -105.95 141.93 36.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.67 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.597 HD12 ' HG ' ' A' ' 82' ' ' LEU . 12.0 mm -116.73 138.65 46.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.219 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.41 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -115.09 144.13 44.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.567 179.804 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.471 HG13 ' CZ ' ' A' ' 80' ' ' PHE . 14.5 t -115.52 135.02 56.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.268 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 27.0 mt -124.15 137.27 57.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.531 ' HB2' HD13 ' A' ' 112' ' ' LEU . 9.5 t0 -107.89 114.93 29.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.021 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -143.28 51.25 1.38 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.799 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.65 172.83 8.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.996 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -110.53 -30.96 7.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.749 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -65.65 -74.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.216 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 170.86 142.21 3.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.769 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.434 HG23 ' CD1' ' A' ' 127' ' ' PHE . 82.9 m -131.99 122.85 26.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.732 0.301 . . . . 0.0 110.652 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -121.07 121.23 37.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.006 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.767 HD13 HD12 ' A' ' 125' ' ' ILE . 3.1 tp -117.67 137.25 52.2 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 CA-C-O 121.502 0.668 . . . . 0.0 111.231 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 60.28 31.0 20.3 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.738 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.61 13.1 74.46 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.823 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -134.11 152.01 51.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 110.795 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 -70.42 142.78 51.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.531 HD13 ' HB2' ' A' ' 99' ' ' ASP . 9.5 tt -77.46 121.91 24.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 30.7 m -138.64 30.88 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.072 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.05 149.72 33.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.42 141.85 28.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 25.4 t70 62.63 70.73 0.55 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -84.08 139.1 32.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.79 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.537 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.6 tp -98.69 118.14 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.042 0.449 . . . . 0.0 111.313 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.44 HD21 ' HB3' ' A' ' 135' ' ' PHE . 9.5 tt -103.09 144.19 31.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.962 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -136.13 178.04 7.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.72 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.417 ' HB3' ' CD2' ' A' ' 137' ' ' TYR . 8.4 p-10 -58.93 140.51 55.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.416 ' HA2' HD21 ' A' ' 134' ' ' LEU . . . 74.97 42.51 29.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.507 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.498 ' C ' HD12 ' A' ' 134' ' ' LEU . 4.1 m-20 -121.66 118.53 29.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.361 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.634 ' N ' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -90.31 119.41 30.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.779 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.767 HD12 HD13 ' A' ' 107' ' ' ILE . 3.6 tt -118.05 137.53 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.234 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.489 HG22 ' OG ' ' A' ' 132' ' ' SER . 25.3 t -116.56 132.33 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.931 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.434 ' CD1' HG23 ' A' ' 105' ' ' THR . 18.9 m-85 -122.22 134.59 54.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 83.65 -68.07 3.61 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.371 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 171.2 -33.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.618 0.247 . . . . 0.0 110.969 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 95.8 p -110.42 -41.23 4.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.372 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 38.3 m -56.37 102.02 0.07 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.106 0.479 . . . . 0.0 111.288 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.489 ' OG ' HG22 ' A' ' 126' ' ' VAL . 2.7 t -124.87 119.89 30.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.141 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.516 ' HD1' HD22 ' A' ' 37' ' ' LEU . 27.5 p90 -142.05 156.15 45.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.873 0.368 . . . . 0.0 111.203 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 124' ' ' ARG . 1.5 tp -113.35 140.01 48.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.808 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.471 ' HB2' HD21 ' A' ' 37' ' ' LEU . 26.0 t80 -105.14 141.47 36.64 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.947 0.88 . . . . 0.0 111.816 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -154.69 155.96 35.55 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 113.869 -1.514 . . . . 0.0 110.893 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.417 ' CD2' ' HB3' ' A' ' 121' ' ' ASN . 5.5 m-85 -86.01 139.56 31.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.743 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.416 ' CB ' ' CE1' ' A' ' 36' ' ' HIS . . . -113.47 132.52 55.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 41.9 p -142.51 -48.17 0.34 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.97 40.8 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 17.7 m 61.05 175.51 0.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.943 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 22.2 p -105.05 -43.27 5.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.58 -179.04 1.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.76 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -135.4 84.21 2.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.971 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.6 HG22 ' H ' ' A' ' 146' ' ' GLU . 0.8 OUTLIER -111.21 -143.33 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.437 -1.108 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.6 ' H ' HG22 ' A' ' 145' ' ' ILE . 8.9 mm-40 -114.14 -175.61 2.72 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 61.69 177.45 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -134.6 94.41 3.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -128.38 165.19 21.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -124.3 36.26 4.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.68 95.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.84 105.92 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.03 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 27.1 t -85.39 100.03 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 14.4 p -152.15 167.24 29.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -150.39 -47.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 1.4 m -122.55 163.85 19.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 10.1 tpt85 -115.07 31.58 6.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.4 m -163.19 31.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 35.4 t80 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.941 179.935 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.794 0.331 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 pt -93.16 -179.04 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' TPO . . . . . 0.614 HG22 ' NE ' ' A' ' 60' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -65.44 155.38 85.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.2 -171.68 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.603 2.202 . . . . 0.0 112.238 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' TPO . . . . . 0.417 HG23 ' N ' ' B' ' 9' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.417 ' N ' HG23 ' B' ' 8' ' ' TPO . 1.3 tt0 -128.68 145.77 51.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.794 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -69.13 146.91 52.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.88 162.93 28.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.93 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.903 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.864 0.364 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -99.91 126.42 46.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.82 -40.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -76.15 168.66 19.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -109.01 -25.73 10.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.5 m 65.63 43.77 3.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.826 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m120 61.06 -177.29 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -159.26 104.44 1.53 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.86 159.1 18.6 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.464 2.109 . . . . 0.0 112.186 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m 63.19 104.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.0 t -107.18 -23.39 12.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.205 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 63.66 90.16 0.08 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.918 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.48 -102.8 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.504 ' N ' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.42 128.92 22.74 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.72 0.295 . . . . 0.0 110.627 179.747 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.2 132.2 53.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.072 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.62 -47.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.624 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.625 ' C ' HG22 ' A' ' 50' ' ' ILE . . . -140.37 -172.14 12.75 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.175 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.667 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 46.6 m80 -145.82 164.38 32.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.956 0.408 . . . . 0.0 111.051 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.405 HD11 HD12 ' A' ' 50' ' ' ILE . 1.2 mp -127.24 127.49 44.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.758 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.578 HG22 ' CD ' ' A' ' 47' ' ' LYS . 21.8 t -110.51 121.98 64.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -88.21 113.95 24.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.836 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mp -93.29 106.79 18.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.539 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 3.6 mp -124.18 141.01 36.15 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.539 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 46.5 Cg_endo -71.74 77.36 1.84 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.122 1.881 . . . . 0.0 111.803 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.54 31.07 1.09 Allowed Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.247 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 175.29 -170.25 0.05 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.808 0.337 . . . . 0.0 110.716 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -178.43 151.17 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -146.43 130.22 17.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.578 ' CD ' HG22 ' A' ' 38' ' ' VAL . 0.4 OUTLIER -113.12 126.41 55.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.976 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 42.9 t -125.11 148.53 29.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.161 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -94.24 137.89 32.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.759 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.625 HG22 ' C ' ' A' ' 35' ' ' GLY . 13.0 tt -116.14 132.13 66.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.052 0.453 . . . . 0.0 111.442 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.504 HG22 ' N ' ' A' ' 32' ' ' THR . 0.2 OUTLIER -100.89 168.13 9.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.93 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -77.03 63.13 2.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.023 0.44 . . . . 0.0 110.29 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.543 ' C ' ' H ' ' A' ' 55' ' ' VAL . 4.4 ttt85 -81.55 0.88 36.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.051 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.479 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 0.9 OUTLIER 71.72 -36.46 0.36 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -178.761 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.543 ' H ' ' C ' ' A' ' 53' ' ' ARG . 73.8 t -137.45 138.78 44.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.746 179.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.441 HG22 ' CB ' ' A' ' 65' ' ' ASP . 0.7 OUTLIER -125.31 128.32 48.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.5 179.828 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.88 137.45 41.85 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.822 0.344 . . . . 0.0 111.126 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.477 HD11 ' HD2' ' A' ' 80' ' ' PHE . 4.6 mp -131.66 124.43 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.181 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.16 -135.14 3.26 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.416 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.533 ' HB3' HG21 ' B' ' 5' ' ' TPO . 9.4 ttt-85 -108.54 -26.35 10.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.826 0.346 . . . . 0.0 111.026 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.24 139.15 43.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -70.19 -30.0 67.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.8 m -69.97 -25.73 63.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 90.4 m -55.78 162.69 1.66 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.441 ' CB ' HG22 ' A' ' 56' ' ' THR . 0.6 OUTLIER -71.06 -57.06 4.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.967 0.413 . . . . 0.0 110.847 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.14 116.31 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.973 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 10.5 pt -93.77 128.08 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.178 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.422 HD13 HD13 ' A' ' 73' ' ' ILE . 1.1 mt -90.68 164.71 14.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.751 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.3 m -103.25 31.37 4.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.59 133.89 30.28 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.547 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.24 -13.72 41.12 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.417 2.078 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -134.74 38.3 3.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 111.091 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.496 HG23 ' HB2' ' A' ' 60' ' ' ARG . 8.3 tp -81.62 121.07 34.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.983 0.42 . . . . 0.0 111.205 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.0 t -56.33 134.41 53.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.365 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.0 m -61.8 -44.03 97.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.797 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.458 ' O ' ' C ' ' A' ' 77' ' ' HIS . 11.9 m-85 -102.8 13.83 33.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.208 0.528 . . . . 0.0 111.385 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -18.67 -70.15 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.603 -1.18 . . . . 0.0 112.916 -179.329 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -145.32 162.82 36.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.13 0.49 . . . . 0.0 111.843 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -134.48 133.97 40.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.446 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.614 ' CE1' HG13 ' A' ' 97' ' ' VAL . 54.7 m-85 -119.37 128.0 53.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.849 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.479 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 12.8 m-70 -94.95 116.48 28.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.812 0.339 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.43 HD22 HG12 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -106.4 109.44 21.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.797 179.714 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.46 140.15 53.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.072 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -103.36 120.88 41.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.1 mtt -131.44 127.68 37.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -107.07 136.9 46.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.57 HG12 ' OD1' ' A' ' 88' ' ' ASP . 21.5 t -138.56 139.03 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.028 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.57 ' OD1' HG12 ' A' ' 87' ' ' VAL . 4.1 m-20 71.14 -60.62 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.083 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -171.82 -41.32 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.834 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -74.8 -177.12 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.651 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -129.7 128.0 41.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.034 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -114.76 143.48 45.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -114.04 120.77 41.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.06 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.5 mt -106.29 136.0 46.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.652 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.407 ' N ' HD12 ' A' ' 95' ' ' ILE . 3.1 mp -123.28 141.08 44.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.887 0.375 . . . . 0.0 111.259 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -117.68 142.81 46.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.775 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.614 HG13 ' CE1' ' A' ' 80' ' ' PHE . 11.5 t -110.13 133.41 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.432 HD11 ' CD2' ' A' ' 81' ' ' HIS . 5.0 mt -128.14 126.94 67.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.016 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.401 ' HB3' HD13 ' A' ' 112' ' ' LEU . 11.9 p-10 -84.95 118.84 24.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -144.71 37.78 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.9 179.87 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -109.96 -31.14 7.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.967 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -92.32 -48.77 6.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.09 146.42 4.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.593 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.485 HG23 ' HA ' ' A' ' 127' ' ' PHE . 67.6 m -132.02 133.15 44.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.888 0.375 . . . . 0.0 110.805 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -109.41 130.69 55.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.2 tp -119.58 137.34 53.78 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 CA-C-O 121.447 0.641 . . . . 0.0 111.349 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 61.13 28.81 18.44 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.8 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.65 12.71 74.24 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.743 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -134.12 152.02 51.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.803 0.335 . . . . 0.0 110.805 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -65.22 142.96 58.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.401 HD13 ' HB3' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -73.52 130.76 40.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 28.8 m -117.39 -39.96 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.049 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -101.23 154.33 18.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.49 -29.58 22.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -104.21 70.36 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.042 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.426 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 4.7 t80 -84.04 139.09 32.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.755 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.538 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.6 tp -98.6 118.65 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-O 121.005 0.431 . . . . 0.0 111.382 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.557 HD11 HD11 ' A' ' 125' ' ' ILE . 8.4 tt -103.01 139.46 38.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -126.64 178.07 6.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.859 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.422 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 6.8 p-10 -58.0 137.66 56.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.947 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 76.14 39.81 31.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -104.8 137.26 42.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.349 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -106.23 118.89 37.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.557 HD11 HD11 ' A' ' 119' ' ' LEU . 1.5 mp -114.98 135.36 55.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 39.6 t -121.07 123.9 71.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.268 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.485 ' HA ' HG23 ' A' ' 105' ' ' THR . 5.5 m-85 -109.76 147.84 32.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.037 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.02 -64.66 0.71 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.52 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? 171.99 -42.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.814 0.34 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 59.5 p -105.92 -33.49 7.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 22.8 m -58.2 108.53 0.62 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 63.9 p -124.02 141.3 52.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -141.98 156.04 45.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 7.7 tt -126.1 115.07 19.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.737 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.552 ' HE1' HG21 ' A' ' 50' ' ' ILE . 88.7 t80 -92.08 141.78 28.23 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.946 0.879 . . . . 0.0 111.788 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.17 154.76 34.1 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 113.91 -1.495 . . . . 0.0 110.741 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.506 ' CD1' ' N ' ' A' ' 137' ' ' TYR . 0.5 OUTLIER -86.0 139.61 31.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.697 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.667 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . . . -91.55 -30.23 16.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.081 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 72.6 m -66.26 -31.32 72.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.12 118.7 36.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.3 m -129.21 -54.94 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 5.9 m -82.86 -174.81 5.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.403 HG23 ' N ' ' A' ' 144' ' ' ASP . 9.0 t -169.1 -45.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . 0.403 ' N ' HG23 ' A' ' 143' ' ' THR . 4.8 t0 -177.96 -36.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.154 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.58 HG22 ' O ' ' A' ' 145' ' ' ILE . 17.0 mm -98.54 25.27 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.28 0 CA-C-O 121.622 0.725 . . . . 0.0 111.556 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.48 109.01 7.62 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.925 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -88.47 75.13 8.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -175.09 133.85 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -147.63 146.17 29.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -163.58 124.26 2.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.73 96.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 21.6 t -91.89 -62.57 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 4.7 p -124.79 134.09 52.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.2 t -105.23 -43.43 5.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -137.79 -176.17 4.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 10.7 m -86.36 177.65 7.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.18 84.66 1.88 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 29.0 t -168.01 173.74 7.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.0 m120 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.84 0.352 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -164.14 128.06 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.097 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' TPO . . . . . 0.628 ' O3P' HG22 ' B' ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.55 155.71 47.8 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -68.76 -175.85 1.04 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.561 2.174 . . . . 0.0 112.247 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -101.16 162.79 12.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -82.76 129.7 35.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 19.9 m -78.66 169.4 18.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 21.8 p . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.85 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.2 tptp . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.787 0.327 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -104.67 158.56 16.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -101.71 115.15 29.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -107.53 172.67 6.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -114.4 92.5 3.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.785 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.8 p -149.88 -54.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -127.1 138.52 53.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.94 146.49 31.44 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.77 144.07 52.82 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.507 2.138 . . . . 0.0 112.272 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -166.14 -43.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.055 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.1 p -150.45 96.29 2.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -128.22 90.55 3.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.665 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -115.09 -123.28 0.29 Allowed 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.632 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.583 ' C ' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.33 129.77 24.02 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.713 0.292 . . . . 0.0 110.268 179.775 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.46 142.68 48.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.958 0.408 . . . . 0.0 111.333 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.518 HD21 ' OE1' ' A' ' 91' ' ' GLN . 0.4 OUTLIER -151.71 -47.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.476 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -128.64 155.33 20.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.132 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.489 ' ND1' ' HB3' ' A' ' 138' ' ' ALA . 18.5 m80 -120.54 161.98 20.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.947 0.403 . . . . 0.0 111.163 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 1.041 HD12 HD11 ' A' ' 50' ' ' ILE . 12.1 mt -127.04 124.12 38.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.625 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.6 t -101.49 121.71 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.085 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.436 ' HA ' ' CD2' ' A' ' 133' ' ' PHE . 0.0 OUTLIER -90.31 128.55 36.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.632 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 mt -107.92 106.63 16.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.627 HG23 ' HD2' ' A' ' 42' ' ' PRO . 37.9 mm -124.46 141.81 38.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.627 ' HD2' HG23 ' A' ' 41' ' ' ILE . 60.5 Cg_endo -75.99 72.39 5.26 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.223 1.948 . . . . 0.0 111.978 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 161.76 -26.78 0.26 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.413 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -178.68 122.26 0.09 Allowed 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -79.61 -174.03 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.02 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.18 141.01 3.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.817 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.04 122.96 49.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.4 t -117.96 150.96 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -105.18 131.97 51.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.041 HD11 HD12 ' A' ' 37' ' ' LEU . 36.6 mm -106.37 127.11 61.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.1 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.583 HG22 ' C ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -98.72 167.17 10.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.097 -179.855 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.456 ' H ' ' ND2' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -83.41 62.45 6.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.518 179.297 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.557 ' C ' ' H ' ' A' ' 55' ' ' VAL . 9.3 mtt180 -85.18 5.89 28.13 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.913 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.442 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 2.3 t-20 71.59 -36.98 0.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -178.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.557 ' H ' ' C ' ' A' ' 53' ' ' ARG . 67.5 t -137.48 135.66 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.85 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.718 HG23 ' CB ' ' A' ' 65' ' ' ASP . 88.4 m -125.22 130.19 51.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.963 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -103.9 137.71 41.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.923 0.392 . . . . 0.0 111.148 -179.679 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.774 HG22 HD11 ' A' ' 68' ' ' LEU . 4.8 mp -125.86 125.59 68.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.52 -132.04 2.47 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.431 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.411 ' CG ' HG22 ' B' ' 5' ' ' TPO . 0.0 OUTLIER -117.85 -26.28 6.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.666 0.269 . . . . 0.0 111.267 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.472 ' HB2' HG23 ' A' ' 75' ' ' THR . 0.1 OUTLIER -46.85 145.17 2.09 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.947 0.403 . . . . 0.0 111.238 -179.856 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -26.34 62.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.158 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.3 p -81.26 -26.89 35.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.231 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.1 m -53.26 160.61 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.074 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.718 ' CB ' HG23 ' A' ' 56' ' ' THR . 4.3 m-20 -72.62 -58.34 3.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.935 0.397 . . . . 0.0 110.836 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -104.89 132.98 50.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.077 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.2 pt -108.73 106.18 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.188 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.841 HD22 ' CD1' ' A' ' 73' ' ' ILE . 5.1 mp -65.44 -177.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.15 39.18 4.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.199 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.404 ' HB2' ' HB ' ' A' ' 73' ' ' ILE . 0.8 OUTLIER -111.91 132.03 22.17 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.749 179.817 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.08 -14.29 42.91 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.453 2.102 . . . . 0.0 112.634 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -127.24 33.43 4.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 110.995 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.841 ' CD1' HD22 ' A' ' 68' ' ' LEU . 5.7 tp -82.38 140.17 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.4 m -67.84 131.49 45.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.099 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.472 HG23 ' HB2' ' A' ' 61' ' ' SER . 82.6 m -63.11 -44.03 96.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.469 ' O ' ' C ' ' A' ' 77' ' ' HIS . 5.5 m-85 -101.46 13.92 33.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.282 0.563 . . . . 0.0 111.368 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.469 ' C ' ' O ' ' A' ' 76' ' ' PHE . 2.7 t60 -15.81 -67.99 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.631 -1.168 . . . . 0.0 112.894 -179.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.407 ' HB3' ' HE2' ' A' ' 127' ' ' PHE . . . -152.85 164.04 38.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.091 0.472 . . . . 0.0 111.831 -179.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -132.71 136.87 46.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.285 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 56' ' ' THR . 6.1 m-85 -119.31 130.99 55.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.022 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.442 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 10.0 m-70 -96.23 116.32 28.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.888 0.375 . . . . 0.0 111.226 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.552 HD13 ' CG2' ' A' ' 50' ' ' ILE . 0.3 OUTLIER -106.48 109.42 21.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.714 179.448 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.3 tp -122.18 140.09 52.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.165 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -102.01 134.87 44.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.807 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.4 ttt -128.64 138.64 52.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.032 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -107.09 128.42 54.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -140.0 126.79 23.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.094 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.8 t0 73.58 -58.87 0.58 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.072 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -168.8 -42.58 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.832 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -79.21 179.88 7.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.676 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.518 ' OE1' HD21 ' A' ' 34' ' ' LEU . 3.0 pt20 -130.59 128.0 40.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.075 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -109.79 138.5 46.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.638 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -114.05 127.27 55.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.198 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.721 HD12 HD11 ' A' ' 118' ' ' ILE . 2.4 mm? -109.58 141.64 41.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.512 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.47 HD11 ' CE1' ' A' ' 135' ' ' PHE . 4.4 mp -113.19 141.02 30.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.287 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.86 144.08 44.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.71 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.407 HG12 HD11 ' A' ' 112' ' ' LEU . 16.4 t -109.71 125.88 66.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.233 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 34.1 mt -130.11 144.39 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.012 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -117.34 138.99 51.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.962 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.3 pttt -161.19 53.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -152.76 -176.44 5.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.35 -30.22 13.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.23 -36.72 73.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.253 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 87.05 150.88 19.19 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.373 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.433 ' HB ' HD12 ' A' ' 112' ' ' LEU . 4.4 m -131.93 125.84 32.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 110.82 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -110.93 117.2 32.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.482 HD13 HG13 ' A' ' 125' ' ' ILE . 3.2 tp -111.58 137.16 45.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.444 0.64 . . . . 0.0 111.228 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.5 m120 58.53 31.69 21.3 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.787 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.61 13.04 74.42 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.825 -0.702 . . . . 0.0 113.028 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -128.3 147.74 50.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.777 0.322 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -74.92 143.03 43.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.989 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.499 ' O ' HG13 ' A' ' 113' ' ' VAL . 18.9 mt -74.61 135.42 42.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 112' ' ' LEU . 12.3 m -158.11 -46.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.438 ' N ' HG23 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -60.57 -20.09 59.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.22 152.45 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.792 0.33 . . . . 0.0 110.832 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.7 t70 60.66 51.64 4.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.77 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.63 139.18 45.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.721 HD11 HD12 ' A' ' 94' ' ' LEU . 8.0 tp -98.5 120.48 47.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.907 HD11 HD11 ' A' ' 125' ' ' ILE . 6.2 tt -103.01 130.24 50.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.096 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.73 178.1 4.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.623 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.44 ' HB3' ' CE2' ' A' ' 137' ' ' TYR . 3.3 p-10 -57.03 145.05 31.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.405 ' HA2' HD21 ' A' ' 134' ' ' LEU . . . 68.19 36.5 85.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.397 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.54 135.35 49.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.767 0.317 . . . . 0.0 110.807 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -107.08 128.14 54.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.907 HD11 HD11 ' A' ' 119' ' ' LEU . 2.1 mp -118.86 134.43 62.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.056 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 29.7 t -110.49 124.37 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.17 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.441 ' HB3' ' CE1' ' A' ' 77' ' ' HIS . 48.7 m-85 -109.3 114.37 28.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 96.83 -71.08 0.78 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.593 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.05 -36.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.701 0.286 . . . . 0.0 111.057 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.01 -36.67 5.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.58 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 8.6 m -62.6 108.82 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.888 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 40.0 t -121.58 137.76 54.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.606 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.47 ' CD1' ' N ' ' A' ' 133' ' ' PHE . 1.5 m-85 -135.64 156.0 49.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.975 0.416 . . . . 0.0 111.241 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.579 HD23 ' N ' ' A' ' 135' ' ' PHE . 1.3 tt -121.31 140.05 52.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.641 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.579 ' N ' HD23 ' A' ' 134' ' ' LEU . 34.3 t80 -116.49 141.5 48.09 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 122.016 0.912 . . . . 0.0 111.925 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -154.57 148.41 25.55 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 113.761 -1.563 . . . . 0.0 110.831 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 121' ' ' ASN . 7.7 m-85 -76.46 139.8 40.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.022 0.439 . . . . 0.0 110.817 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.489 ' HB3' ' ND1' ' A' ' 36' ' ' HIS . . . -134.14 30.37 3.62 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.973 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.0 p -96.08 154.24 17.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 18.6 m 61.29 152.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 70.1 m 59.06 30.76 20.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.2 m -152.33 96.66 2.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 33.4 p -126.61 33.7 4.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -133.63 104.8 6.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.586 HG22 ' O ' ' A' ' 145' ' ' ILE . 3.1 mp -102.55 25.09 1.36 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 CA-C-O 121.644 0.735 . . . . 0.0 111.271 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -151.05 159.25 44.65 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.41 31.1 3.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.829 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.94 117.02 33.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.68 151.86 23.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -161.8 139.55 8.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -142.36 93.84 2.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.816 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 152' ' ' VAL . 16.4 m -147.78 90.17 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.2 p -111.19 -35.26 5.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.6 89.65 3.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.794 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.84 141.69 28.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.24 178.15 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -110.51 162.27 14.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 52.6 p -113.61 34.11 4.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.979 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.917 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.722 0.296 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 19.7 mt -103.27 139.05 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.079 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' TPO . . . . . 0.424 ' H ' ' P ' ' B' ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -64.51 166.01 12.79 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.57 -167.85 0.32 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.578 2.185 . . . . 0.0 112.305 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' TPO . . . . . 0.401 HG23 ' N ' ' B' ' 9' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.401 ' N ' HG23 ' B' ' 8' ' ' TPO . 0.6 OUTLIER -145.43 171.29 14.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -79.17 169.13 18.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 50.3 m -93.62 158.6 15.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.5 p . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.916 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.744 0.307 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.14 172.11 7.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.992 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -164.94 -47.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -98.71 31.39 2.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.2 mtt-85 -137.58 179.67 6.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.93 28.73 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.0 t30 59.16 109.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -65.5 131.25 94.83 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.78 158.93 18.84 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.443 2.096 . . . . 0.0 112.261 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 t -146.18 31.11 1.02 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -170.93 85.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.7 179.89 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.957 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -101.11 -117.21 0.17 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.563 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.581 ' O ' HG22 ' A' ' 51' ' ' THR . 1.0 OUTLIER -140.26 141.15 35.85 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.772 0.32 . . . . 0.0 110.512 179.587 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.866 ' O ' HD22 ' A' ' 34' ' ' LEU . 54.1 t -60.09 145.12 47.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.407 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.866 HD22 ' O ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -146.93 -46.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.494 179.733 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -157.65 174.69 35.06 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.14 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.412 ' CD2' ' O ' ' A' ' 48' ' ' VAL . 27.3 m80 -139.35 165.28 27.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.989 0.424 . . . . 0.0 111.139 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 1.08 HD11 HD11 ' A' ' 50' ' ' ILE . 3.2 mt -127.34 110.63 13.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.566 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.02 121.4 46.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 111.137 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -90.47 129.75 36.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.839 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 mp -98.07 106.36 18.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.91 0.386 . . . . 0.0 110.625 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.525 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 6.2 mt -124.65 140.37 35.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.66 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.525 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 55.8 Cg_endo -73.25 73.95 3.16 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.073 1.849 . . . . 0.0 111.947 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 159.69 -24.19 0.3 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.492 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -177.0 154.32 1.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.78 0.324 . . . . 0.0 110.813 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -109.85 157.06 19.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -133.31 135.98 45.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.782 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -113.11 135.07 54.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.087 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.412 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 25.9 t -118.94 149.62 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -100.84 132.49 46.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.033 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.08 HD11 HD11 ' A' ' 37' ' ' LEU . 33.2 mm -116.09 115.11 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.581 HG22 ' O ' ' A' ' 32' ' ' THR . 0.5 OUTLIER -102.57 168.09 9.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.5 179.731 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.465 HD22 HD23 ' A' ' 34' ' ' LEU . 3.8 p30 -76.96 62.67 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.983 0.421 . . . . 0.0 110.44 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.537 ' C ' ' H ' ' A' ' 55' ' ' VAL . 7.3 ttt85 -84.0 1.66 42.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.877 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.444 ' O ' ' HA ' ' A' ' 81' ' ' HIS . 1.4 m-20 71.31 -38.19 0.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.537 ' H ' ' C ' ' A' ' 53' ' ' ARG . 66.6 t -137.49 134.44 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.18 179.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.555 HG23 ' HB3' ' A' ' 65' ' ' ASP . 48.3 m -125.46 119.96 29.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.905 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.537 HG23 ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -103.84 132.76 49.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.956 0.408 . . . . 0.0 111.14 -179.524 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.599 HG21 ' CD2' ' A' ' 127' ' ' PHE . 5.2 mp -115.6 119.75 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.6 -126.51 1.27 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.559 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.517 ' HG3' HG22 ' B' ' 5' ' ' TPO . 0.0 OUTLIER -124.46 -28.96 3.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.633 0.254 . . . . 0.0 111.398 -179.779 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.9 137.9 6.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.915 0.388 . . . . 0.0 111.363 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -30.08 71.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 76.7 p -74.99 -22.9 58.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.233 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.1 m -54.43 159.54 2.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.778 0.323 . . . . 0.0 111.089 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.555 ' HB3' HG23 ' A' ' 56' ' ' THR . 10.2 t70 -79.99 -49.95 11.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.961 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.434 HG12 HD23 ' A' ' 68' ' ' LEU . 22.0 t -125.04 106.81 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.435 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.9 pt -108.91 129.01 64.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.734 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.766 HD12 ' N ' ' A' ' 69' ' ' SER . 3.3 pp -175.53 -163.41 0.12 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.243 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.909 ' CB ' HD13 ' A' ' 73' ' ' ILE . 7.4 t 85.59 -68.52 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.087 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 176.24 167.91 0.41 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.07 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -63.93 -13.75 39.15 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.842 2.361 . . . . 0.0 112.637 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -98.67 24.82 7.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.784 0.326 . . . . 0.0 110.829 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.909 HD13 ' CB ' ' A' ' 69' ' ' SER . 2.2 tp -92.66 139.5 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.435 ' HB2' ' CG ' ' A' ' 77' ' ' HIS . 0.6 OUTLIER -53.36 131.18 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.306 -179.669 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.6 -44.03 79.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.618 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.462 ' O ' ' C ' ' A' ' 77' ' ' HIS . 64.2 m-85 -102.84 13.75 33.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.286 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.462 ' C ' ' O ' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -17.17 -70.88 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.556 -1.202 . . . . 0.0 112.705 -179.579 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.632 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . . . -152.01 164.02 38.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.98 0.419 . . . . 0.0 111.741 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.537 ' HG2' HG23 ' A' ' 57' ' ' THR . 7.4 mt-10 -132.84 133.12 42.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.624 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.727 ' CE1' HG13 ' A' ' 97' ' ' VAL . 28.9 m-85 -119.44 122.76 42.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.615 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.444 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 6.9 m-70 -94.83 116.38 28.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.937 0.398 . . . . 0.0 111.365 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.617 HD22 HG22 ' A' ' 50' ' ' ILE . 3.7 tp -106.61 109.65 21.63 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.644 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.38 140.18 52.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.6 ' OE1' HD21 ' A' ' 34' ' ' LEU . 16.1 mt-30 -108.29 126.23 52.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.723 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.19 135.38 43.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.975 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -107.03 135.95 47.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.7 t -140.04 122.47 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.5 t0 74.03 -58.87 0.57 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.079 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -173.94 -40.83 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.777 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -92.8 108.29 19.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.715 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -82.95 140.22 32.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.009 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -114.42 154.27 28.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.819 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -108.52 120.09 41.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.81 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 mp -108.08 134.47 50.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.766 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.486 HG13 HD12 ' A' ' 82' ' ' LEU . 3.9 mp -119.33 137.97 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.225 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.93 144.09 43.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.799 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.727 HG13 ' CE1' ' A' ' 80' ' ' PHE . 3.4 t -105.68 133.95 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.291 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 36.0 mt -130.04 120.95 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.02 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.6 127.95 55.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.945 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -158.64 55.86 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -143.49 177.69 8.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.68 -24.42 10.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.54 -28.8 22.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.443 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 106.26 129.92 6.44 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.515 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.453 HG23 ' CD1' ' A' ' 127' ' ' PHE . 88.5 m -132.06 124.72 29.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.853 0.359 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -120.96 114.94 22.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 124' ' ' ARG . 2.9 tp -117.27 137.38 51.38 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-O 121.458 0.646 . . . . 0.0 111.439 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 61.81 26.89 16.37 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.64 12.91 74.41 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.893 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -133.98 152.08 51.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.792 0.33 . . . . 0.0 110.784 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.45 133.32 42.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.5 tt -75.08 124.33 26.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.482 HG13 ' N ' ' A' ' 114' ' ' LYS . 11.1 p -121.33 -44.76 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.482 ' N ' HG13 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -91.29 148.8 22.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.902 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -87.48 166.52 14.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.991 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 25.8 t0 66.43 59.27 0.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.029 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.408 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 0.2 OUTLIER -84.03 139.05 32.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.695 179.723 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.572 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.4 tp -98.57 114.59 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-O 121.09 0.472 . . . . 0.0 111.312 -179.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.768 HD11 HD11 ' A' ' 125' ' ' ILE . 10.0 tt -103.12 136.48 42.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.443 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -132.13 178.14 7.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 22.0 p-10 -54.51 148.09 12.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.084 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 65.49 39.21 95.52 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.408 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -108.14 125.58 51.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.453 ' O ' HD12 ' A' ' 107' ' ' ILE . 79.8 mtt-85 -88.68 117.42 27.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.768 HD11 HD11 ' A' ' 119' ' ' LEU . 1.8 mt -114.83 134.91 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.671 HG13 ' O ' ' A' ' 131' ' ' CYS . 34.3 t -124.0 133.05 70.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.372 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.632 ' CZ ' ' HB3' ' A' ' 78' ' ' ALA . 10.1 m-85 -122.83 135.62 54.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.822 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 84.49 -69.11 3.39 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.301 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 168.95 -33.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.747 0.308 . . . . 0.0 111.092 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.49 -31.76 8.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.431 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . 0.671 ' O ' HG13 ' A' ' 126' ' ' VAL . 11.0 m -57.86 107.64 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.03 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 37.6 m -124.2 116.53 22.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -142.16 156.52 45.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.983 0.421 . . . . 0.0 111.225 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.578 HD21 ' HD2' ' A' ' 136' ' ' LYS . 6.5 tt -116.96 139.28 50.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.702 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.55 ' HD1' HD23 ' A' ' 37' ' ' LEU . 63.0 t80 -101.42 141.58 34.08 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.982 0.896 . . . . 0.0 111.902 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.578 ' HD2' HD21 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -154.34 146.42 23.66 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 113.873 -1.512 . . . . 0.0 110.844 179.755 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.431 ' CZ ' ' HB3' ' A' ' 121' ' ' ASN . 0.8 OUTLIER -76.56 139.59 40.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.377 . . . . 0.0 110.743 179.715 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -137.01 164.36 28.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.118 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.05 -45.39 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 23.3 t -105.08 -174.01 2.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.476 ' O ' HG22 ' A' ' 143' ' ' THR . 65.9 m -99.6 28.14 4.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 58.6 m 57.37 31.85 20.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.007 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.476 HG22 ' O ' ' A' ' 141' ' ' SER . 3.0 t -160.13 119.97 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -123.71 -64.55 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.587 HG22 ' H ' ' A' ' 146' ' ' GLU . 0.8 OUTLIER -111.21 -143.14 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.437 -1.116 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.587 ' H ' HG22 ' A' ' 145' ' ' ILE . 0.8 OUTLIER 61.02 113.48 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.939 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.09 -178.3 3.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -79.33 90.72 4.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -111.68 -175.06 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -88.49 83.98 6.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -95.67 93.34 7.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 21.5 t -136.39 121.98 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 20.5 m -82.32 106.47 14.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.11 119.44 24.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -129.8 152.82 48.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 79.8 p -70.93 163.76 26.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -155.77 30.6 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 60.0 p -73.14 74.73 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.919 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 m120 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.849 0.357 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.478 HG22 ' N ' ' B' ' 5' ' ' TPO . 3.3 mt 63.12 157.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' TPO . . . . . 0.517 HG22 ' HG3' ' A' ' 60' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -114.35 153.83 46.47 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.64 -168.21 0.3 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.686 2.258 . . . . 0.0 112.293 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -132.26 87.08 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 60.33 -177.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 3.5 p -159.65 124.03 3.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.871 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.85 0.357 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.46 30.08 7.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -136.23 85.55 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.53 113.35 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -157.52 150.12 22.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 59.6 p -157.7 113.66 2.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -172.76 77.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -130.65 90.93 39.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -57.77 142.08 95.95 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.614 2.209 . . . . 0.0 112.271 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.1 p -143.88 45.56 1.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -60.18 171.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.88 160.26 22.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -92.95 -110.68 0.1 Allowed 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.457 ' C ' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.31 129.45 23.63 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.786 0.327 . . . . 0.0 110.504 179.732 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.446 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.8 t -74.39 114.97 13.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.272 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.446 HD22 ' O ' ' A' ' 33' ' ' CYS . 2.8 mm? -124.6 -46.44 1.88 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.302 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -123.91 169.77 16.07 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.887 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.409 ' ND1' ' CB ' ' A' ' 138' ' ' ALA . 17.8 m80 -131.08 166.06 21.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.141 0.496 . . . . 0.0 111.374 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.826 HD23 HG13 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -126.66 116.41 20.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.527 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.6 t -95.94 121.8 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 111.206 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -90.13 116.05 27.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.76 106.83 18.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.806 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.528 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 35.6 mt -124.13 140.84 35.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.98 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.528 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 60.3 Cg_endo -75.07 89.25 1.18 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.24 1.96 . . . . 0.0 111.872 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.23 21.26 5.95 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.262 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.9 tttp 175.21 163.03 0.26 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.736 0.303 . . . . 0.0 110.57 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -145.98 150.0 35.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -143.33 137.06 28.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.99 123.09 49.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 19.7 t -111.6 139.9 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.223 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -82.0 134.22 35.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.826 HG13 HD23 ' A' ' 37' ' ' LEU . 28.0 mm -112.03 130.88 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.333 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.457 HG22 ' C ' ' A' ' 32' ' ' THR . 0.6 OUTLIER -108.96 167.96 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.605 179.785 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -67.27 -98.09 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.502 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.569 ' C ' ' H ' ' A' ' 55' ' ' VAL . 10.2 ttt85 73.73 -1.58 3.02 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.9 m120 70.28 -33.0 0.25 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.738 0.304 . . . . 0.0 110.185 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.569 ' H ' ' C ' ' A' ' 53' ' ' ARG . 67.6 t -135.95 145.18 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.663 HG23 ' HB3' ' A' ' 65' ' ' ASP . 31.5 m -125.42 132.73 52.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.238 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.38 129.76 54.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.858 0.361 . . . . 0.0 110.708 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.42 ' CG2' HD11 ' A' ' 68' ' ' LEU . 22.9 mt -123.79 133.96 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.287 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 162.49 -119.08 0.86 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.542 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.421 ' HG2' HG21 ' B' ' 5' ' ' TPO . 0.0 OUTLIER -125.36 -33.07 2.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.717 0.294 . . . . 0.0 111.28 -179.811 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.54 ' HB2' HG23 ' A' ' 75' ' ' THR . 0.3 OUTLIER -48.78 133.46 17.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.266 -179.845 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -63.73 -31.01 72.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.1 p -69.91 -23.99 63.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.114 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 90.6 m -57.64 155.95 9.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.849 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.663 ' HB3' HG23 ' A' ' 56' ' ' THR . 8.2 t0 -66.85 -51.04 60.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.96 0.41 . . . . 0.0 110.853 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.66 111.51 32.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.092 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.7 mp -94.44 127.8 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.802 HD22 ' CD1' ' A' ' 73' ' ' ILE . 6.2 mp -83.2 -176.71 6.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.9 m -123.26 28.62 7.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.354 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.442 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 2.4 tp10 -102.62 132.73 21.0 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.591 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.04 -13.72 41.13 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.643 2.229 . . . . 0.0 112.914 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -123.62 38.62 4.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.718 0.294 . . . . 0.0 111.23 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.802 ' CD1' HD22 ' A' ' 68' ' ' LEU . 5.6 tp -91.18 134.24 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.172 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.414 ' HA ' HG22 ' B' ' 8' ' ' TPO . 44.1 t -67.51 131.81 46.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.987 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.54 HG23 ' HB2' ' A' ' 61' ' ' SER . 61.4 m -59.52 -41.43 89.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.813 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.477 ' O ' ' C ' ' A' ' 77' ' ' HIS . 0.6 OUTLIER -104.01 13.76 31.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.182 0.515 . . . . 0.0 111.408 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.477 ' C ' ' O ' ' A' ' 76' ' ' PHE . 2.8 t60 -15.17 -67.8 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.655 -1.157 . . . . 0.0 112.891 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.86 164.02 39.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 111.506 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 56' ' ' THR . 3.7 pm0 -132.91 134.37 44.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.909 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.932 ' CZ ' HG13 ' A' ' 97' ' ' VAL . 5.6 m-85 -119.29 131.2 55.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.482 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.416 ' CE1' HG22 ' A' ' 55' ' ' VAL . 9.6 m-70 -94.68 116.12 28.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.968 0.413 . . . . 0.0 111.425 -179.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.601 HD12 HG23 ' A' ' 95' ' ' ILE . 0.3 OUTLIER -106.86 109.89 21.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.701 179.333 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 mt -121.47 140.08 52.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.09 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -109.29 127.85 54.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.784 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.6 ttm -120.77 143.09 49.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -101.26 117.75 35.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.3 t -140.08 131.12 31.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.25 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.19 49.16 11.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 55.6 26.46 9.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.093 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -132.29 -175.74 3.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.743 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -130.72 127.89 39.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.082 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.17 128.01 55.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.722 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -109.92 120.01 41.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.038 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.738 ' HG ' HD11 ' A' ' 118' ' ' ILE . 3.1 tp -123.69 135.26 53.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.537 179.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.655 ' HB ' HD23 ' A' ' 119' ' ' LEU . 3.9 mp -113.82 141.06 31.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 0.0 111.487 -179.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.417 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -114.49 144.15 43.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.51 179.781 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.932 HG13 ' CZ ' ' A' ' 80' ' ' PHE . 11.8 t -115.36 122.94 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 111.32 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.7 mp -130.05 143.35 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.984 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -117.05 139.01 51.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.51 21.31 16.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.3 m 57.28 73.9 0.44 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.823 0.344 . . . . 0.0 111.007 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -162.1 122.38 2.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 67.88 10.69 7.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.799 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 53.01 99.93 0.01 OUTLIER Glycine 0 C--N 1.333 0.368 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.864 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 76.6 m -103.97 122.93 46.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.313 . . . . 0.0 110.668 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -110.05 137.28 48.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.971 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.1 tp -123.12 137.29 57.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.454 0.645 . . . . 0.0 111.241 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 63.21 29.67 15.97 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.764 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.66 10.75 72.04 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.861 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -134.06 152.04 51.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.839 0.352 . . . . 0.0 110.839 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 41.2 mtm-85 -60.99 139.24 58.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 113' ' ' VAL . 1.4 tt -89.86 121.56 32.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.419 ' N ' HD23 ' A' ' 112' ' ' LEU . 13.7 p -117.0 -38.51 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.106 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -59.53 170.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.82 -32.05 8.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -122.03 80.11 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.077 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.42 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 2.9 t80 -84.07 139.31 32.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.714 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.738 HD11 ' HG ' ' A' ' 94' ' ' LEU . 8.2 tp -98.5 119.39 46.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.065 0.459 . . . . 0.0 111.429 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.655 HD23 ' HB ' ' A' ' 95' ' ' ILE . 1.3 tp -103.08 135.19 45.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -133.04 178.14 7.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.49 ' HB2' ' CE2' ' A' ' 137' ' ' TYR . 1.4 t30 -56.59 137.14 54.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.034 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 74.71 45.37 22.49 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.429 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -116.36 127.05 54.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 111.022 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 20.3 mtt-85 -87.73 122.67 31.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.498 HG21 ' CZ ' ' A' ' 127' ' ' PHE . 3.2 mp -119.49 121.94 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.4 t -108.08 123.95 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.064 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.498 ' CZ ' HG21 ' A' ' 125' ' ' ILE . 97.1 m-85 -114.08 122.77 47.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.793 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 92.23 -69.78 1.79 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.391 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt 173.62 -34.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.739 0.304 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 93.3 p -111.58 -36.78 5.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.283 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 8.9 m -64.46 108.06 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 111.054 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.5 t -124.11 121.0 33.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -123.4 156.04 36.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.98 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.435 HD23 ' HD3' ' A' ' 136' ' ' LYS . 4.1 tp -117.28 140.02 50.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.503 ' CG ' HD21 ' A' ' 119' ' ' LEU . 21.2 t80 -106.32 141.6 37.38 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-O 121.838 0.827 . . . . 0.0 111.667 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.435 ' HD3' HD23 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -154.48 157.32 38.22 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 113.979 -1.464 . . . . 0.0 111.192 -179.855 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.49 ' CE2' ' HB2' ' A' ' 121' ' ' ASN . 4.3 m-85 -86.09 140.02 30.61 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.96 0.409 . . . . 0.0 110.627 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.409 ' CB ' ' ND1' ' A' ' 36' ' ' HIS . . . -120.04 73.03 0.96 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.068 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.69 158.39 10.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 35.8 p -148.25 89.08 1.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.955 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.1 t -101.07 -66.5 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 49.7 m -162.98 106.39 1.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 1.1 p -151.02 120.26 6.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 66.82 26.31 9.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.026 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.613 HG22 ' O ' ' A' ' 145' ' ' ILE . 22.4 mt -123.94 24.98 3.55 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 CA-C-O 121.707 0.765 . . . . 0.0 111.218 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -112.28 145.84 39.26 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 114.607 -1.179 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -102.21 139.67 37.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.86 95.24 9.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -86.79 124.96 33.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 60.4 175.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.26 -68.68 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.415 ' O ' HG13 ' A' ' 152' ' ' VAL . 10.9 p -179.0 125.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.13 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.3 m -118.23 99.29 6.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 17.9 m -129.75 97.1 4.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -140.09 110.58 6.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.26 -43.16 14.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -118.17 144.0 46.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.1 p -77.17 -176.89 4.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 6.3 t80 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.9 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.82 0.343 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 8.3 tp -132.79 141.32 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' TPO . . . . . 0.611 ' O3P' HG22 ' B' ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -55.51 148.71 32.64 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.03 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.51 -168.1 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.586 2.191 . . . . 0.0 112.352 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' TPO . . . . . 0.414 HG22 ' HA ' ' A' ' 74' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.04 169.09 9.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -85.03 160.65 19.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 5.9 p -123.78 137.5 54.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 26.4 m . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.144 -0.931 . . . . 0.0 110.871 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.852 0.358 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.8 mtt180 -102.54 -47.18 4.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.789 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 61.42 76.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -95.33 -61.87 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -167.44 34.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.29 118.4 28.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -167.37 61.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.528 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 13.4 tptt -69.73 -51.76 15.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.293 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 55.9 Cg_endo -69.99 158.95 54.97 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.263 1.975 . . . . 0.0 112.301 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 p -139.62 105.87 5.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.6 p -116.07 32.71 5.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -138.28 107.44 6.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -85.8 -111.5 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.692 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.23 128.72 22.77 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.742 0.306 . . . . 0.0 110.382 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -64.95 114.94 4.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.04 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.99 -40.21 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.782 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -140.86 170.02 24.68 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.427 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.684 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 31.2 m80 -131.84 164.33 26.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.86 0.362 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.572 HD23 ' HB ' ' A' ' 50' ' ' ILE . 2.5 mm? -123.78 134.77 53.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.662 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 133' ' ' PHE . 29.1 t -111.33 121.81 64.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -89.51 127.49 35.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.014 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 mp -93.42 106.54 18.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.907 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.427 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 39.4 mt -124.31 139.48 32.96 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.427 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 88.1 Cg_exo -47.31 92.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.419 2.079 . . . . 0.0 112.176 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.47 -111.69 3.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.075 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -57.34 143.04 41.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.757 0.313 . . . . 0.0 110.843 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -108.18 165.52 11.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -133.88 139.15 46.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -113.04 133.24 55.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.5 t -123.76 151.04 28.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.167 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -105.03 124.52 49.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.793 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.572 ' HB ' HD23 ' A' ' 37' ' ' LEU . 10.7 tt -116.12 132.17 66.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.013 0.435 . . . . 0.0 111.519 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.8 167.99 10.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.421 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.92 -87.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.282 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.527 ' C ' ' H ' ' A' ' 55' ' ' VAL . 12.0 ttt-85 72.88 -2.09 2.81 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 179.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.415 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 0.9 OUTLIER 71.23 -38.43 0.42 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.11 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.527 ' H ' ' C ' ' A' ' 53' ' ' ARG . 70.7 t -137.15 141.76 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.074 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.794 HG23 ' CB ' ' A' ' 65' ' ' ASP . 83.2 m -125.3 128.37 48.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.087 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.04 141.87 35.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.985 0.421 . . . . 0.0 111.274 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.705 HG13 ' HB3' ' A' ' 78' ' ' ALA . 6.1 mm -117.58 126.07 74.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.088 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 156.94 -160.32 30.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.692 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.495 ' HD3' HG22 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -97.87 -13.12 21.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.533 0.206 . . . . 0.0 111.193 -179.892 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.412 ' HB2' HG22 ' A' ' 75' ' ' THR . 0.2 OUTLIER -49.84 149.98 2.37 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.839 0.352 . . . . 0.0 111.13 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -71.31 -31.35 67.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.786 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.33 -18.1 43.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 3.3 m -54.07 155.22 3.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.77 0.319 . . . . 0.0 111.136 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.794 ' CB ' HG23 ' A' ' 56' ' ' THR . 0.3 OUTLIER -72.96 -57.93 3.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.729 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 t -110.58 127.57 67.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.156 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.5 pt -95.12 105.01 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.011 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 68' ' ' LEU . 3.3 mm? -61.01 -177.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.996 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 p -123.37 30.24 6.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.03 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.63 123.38 38.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.814 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -55.98 -18.99 24.29 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.498 2.132 . . . . 0.0 112.78 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -126.16 39.57 3.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.771 0.319 . . . . 0.0 111.187 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.495 HG22 ' HD3' ' A' ' 60' ' ' ARG . 3.9 tp -77.55 146.63 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.258 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.435 ' HB3' ' CG ' ' A' ' 77' ' ' HIS . 32.9 t -75.23 130.93 39.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.412 HG22 ' HB2' ' A' ' 61' ' ' SER . 1.7 m -61.45 -43.88 98.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 77' ' ' HIS . 98.3 m-85 -99.83 14.05 31.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.277 0.56 . . . . 0.0 111.575 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -20.25 -56.61 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.94 -179.288 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.705 ' HB3' HG13 ' A' ' 58' ' ' ILE . . . -152.68 163.95 38.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.102 0.477 . . . . 0.0 111.909 -179.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -141.64 122.06 14.06 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.51 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.679 ' HZ ' HD13 ' A' ' 125' ' ' ILE . 74.4 m-85 -119.32 131.21 55.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.141 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -94.73 116.23 28.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.754 0.311 . . . . 0.0 110.517 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 0.9 OUTLIER -106.59 109.54 21.48 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.137 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.11 140.05 53.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -106.33 135.63 47.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.75 120.15 9.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -83.94 133.62 34.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.2 t -140.01 124.63 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.019 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 74.48 -57.74 0.6 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.099 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.86 -41.78 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.813 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -83.38 155.41 23.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.712 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -85.71 127.92 34.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.997 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.72 115.13 29.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.668 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -113.97 125.25 53.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.957 0.408 . . . . 0.0 111.152 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.16 142.61 44.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.467 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.45 ' N ' HD12 ' A' ' 95' ' ' ILE . 4.4 mp -124.66 141.23 45.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.847 0.356 . . . . 0.0 111.393 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -114.01 144.03 43.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.491 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.569 HG13 ' CE1' ' A' ' 80' ' ' PHE . 43.9 t -109.47 122.48 64.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.011 0.434 . . . . 0.0 111.518 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.9 mp -130.26 120.88 50.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.469 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.596 ' HB2' HD13 ' A' ' 112' ' ' LEU . 81.1 m-20 -111.83 132.01 54.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.136 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.36 60.01 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.909 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.73 -175.5 2.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -112.19 -34.54 5.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -61.18 -71.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.255 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 161.03 127.29 0.88 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.499 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 61.0 m -131.98 125.96 32.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.816 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -120.98 129.86 53.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.74 HD13 HD12 ' A' ' 125' ' ' ILE . 3.3 tp -118.92 137.27 53.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 121.441 0.639 . . . . 0.0 111.259 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 61.21 27.57 17.29 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.81 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.7 9.8 70.5 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.843 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -134.07 152.0 51.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -70.4 142.64 52.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.596 HD13 ' HB2' ' A' ' 99' ' ' ASP . 0.6 OUTLIER -72.94 137.15 45.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.0 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.57 HG13 ' HG3' ' A' ' 114' ' ' LYS . 12.0 p -111.99 -31.6 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.055 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.57 ' HG3' HG13 ' A' ' 113' ' ' VAL . 9.6 mttt -122.26 174.69 6.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.773 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.91 32.48 5.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -148.05 56.23 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.053 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.527 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 2.0 t80 -84.06 139.61 32.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.502 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.1 tp -97.99 121.39 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.063 0.459 . . . . 0.0 111.352 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.561 HD23 ' N ' ' A' ' 120' ' ' LYS . 8.7 tt -102.97 135.83 43.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.082 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.561 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -131.54 177.0 7.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.707 179.839 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.441 ' HB2' ' CE2' ' A' ' 137' ' ' TYR . 33.3 t-20 -54.59 136.61 44.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.605 ' HA2' HD21 ' A' ' 134' ' ' LEU . . . 76.11 47.89 10.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.459 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -114.72 128.11 56.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.819 0.342 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.479 ' CG ' HD12 ' A' ' 134' ' ' LEU . 5.7 mtm180 -103.99 131.3 51.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.74 HD12 HD13 ' A' ' 107' ' ' ILE . 13.3 tt -131.06 138.05 54.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.668 HG22 ' OG ' ' A' ' 132' ' ' SER . 34.6 t -114.53 123.91 70.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.215 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.442 ' HB3' ' CE1' ' A' ' 77' ' ' HIS . 61.0 m-85 -106.77 141.83 37.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.836 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.87 -64.21 1.21 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.483 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 16.1 pttp 175.8 -49.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.74 0.305 . . . . 0.0 111.235 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 84.9 p -100.32 -35.38 9.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.442 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 30.6 m -57.08 108.02 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 111.061 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.668 ' OG ' HG22 ' A' ' 126' ' ' VAL . 5.8 m -124.02 134.64 53.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.776 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.414 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 20.4 m-85 -140.39 156.1 46.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.975 0.417 . . . . 0.0 111.141 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.605 HD21 ' HA2' ' A' ' 122' ' ' GLY . 3.6 tt -126.36 140.1 52.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.794 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.562 ' N ' HD23 ' A' ' 134' ' ' LEU . 67.0 t80 -106.35 141.88 36.94 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 122.018 0.914 . . . . 0.0 111.854 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.469 ' CD ' HD22 ' A' ' 134' ' ' LEU . 0.3 OUTLIER -154.15 134.73 13.54 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 113.914 -1.494 . . . . 0.0 110.675 179.766 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.508 ' CD1' ' N ' ' A' ' 137' ' ' TYR . 0.5 OUTLIER -68.31 139.59 55.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.964 0.411 . . . . 0.0 110.75 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.684 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . . . -90.63 97.91 11.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.062 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 34.9 t -151.21 -46.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.13 130.98 17.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 83.4 p -146.38 -48.45 0.2 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.4 m -75.32 -176.3 3.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 5.7 m 60.38 104.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.53 45.44 1.01 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.9 mp -144.7 118.36 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.216 0 CA-C-O 121.633 0.73 . . . . 0.0 109.589 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -94.18 -70.8 0.69 Allowed 'General case' 0 C--N 1.296 -1.754 0 CA-C-N 114.492 -1.231 . . . . 0.0 110.952 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -79.63 160.32 26.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.816 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.71 108.5 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.22 128.33 39.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.61 145.99 41.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -87.89 149.29 24.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 152' ' ' VAL . 28.7 m -130.5 111.93 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 91.7 p -143.32 -51.68 0.35 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.35 60.31 1.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -157.44 171.99 19.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.846 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 12.3 t 60.82 99.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -62.32 -179.94 0.27 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.29 102.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.854 179.941 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.832 0.349 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 10.2 pt -130.65 159.44 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.088 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.26 138.93 86.96 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.53 95.43 1.0 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.476 2.118 . . . . 0.0 112.333 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.31 -172.86 3.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.07 151.11 20.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 6.0 p -101.34 164.4 11.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.8 mttm . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.784 0.326 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -134.33 -61.29 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.72 -43.26 2.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -152.9 -176.4 5.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.46 -48.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.1 m -75.33 -63.38 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.831 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -61.89 169.08 2.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.55 107.98 22.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.793 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.25 141.04 55.42 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.385 2.057 . . . . 0.0 112.229 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.0 t -99.11 107.93 20.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.7 p -98.35 29.27 3.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -149.1 128.14 12.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.528 ' N ' HG21 ' A' ' 51' ' ' THR . 3.2 m-85 -58.0 -97.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.544 ' N ' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -140.38 128.86 22.73 Favored 'General case' 0 C--O 1.231 0.13 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.592 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.44 119.16 8.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.892 0.377 . . . . 0.0 111.08 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.651 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -118.44 -38.97 3.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.661 179.801 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.47 ' C ' HG22 ' A' ' 50' ' ' ILE . . . -155.15 -169.3 19.52 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.296 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.512 ' ND1' ' HB2' ' A' ' 138' ' ' ALA . 52.0 m80 -146.38 162.1 38.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.971 0.415 . . . . 0.0 110.758 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.545 HD13 HG11 ' A' ' 66' ' ' VAL . 1.9 mt -127.23 107.87 10.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.748 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.588 HG22 ' HG3' ' A' ' 47' ' ' LYS . 20.3 t -98.83 121.89 49.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.563 ' O ' HD12 ' A' ' 41' ' ' ILE . 1.9 m-20 -89.75 120.83 31.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 mp -86.62 106.78 17.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.563 HD12 ' O ' ' A' ' 39' ' ' ASN . 2.8 mp -124.12 140.18 34.27 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.831 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.531 ' HD2' ' CG2' ' A' ' 41' ' ' ILE . 58.8 Cg_endo -74.5 89.16 1.11 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.151 1.9 . . . . 0.0 112.123 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.81 1.89 6.83 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.737 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.3 tttp 177.93 167.98 0.73 Allowed 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.788 0.327 . . . . 0.0 110.741 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -138.45 158.38 44.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.828 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.92 122.66 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.072 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.588 ' HG3' HG22 ' A' ' 38' ' ' VAL . 31.9 tttt -113.0 125.24 54.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.6 t -124.04 139.88 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.21 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -86.03 130.7 34.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.712 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.522 HG21 ' HE1' ' A' ' 135' ' ' PHE . 5.9 tt -116.12 132.06 66.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.042 0.449 . . . . 0.0 111.519 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.544 HG22 ' N ' ' A' ' 32' ' ' THR . 0.5 OUTLIER -102.1 168.14 9.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.416 179.781 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.09 -91.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.553 ' C ' ' H ' ' A' ' 55' ' ' VAL . 10.6 ttt180 72.8 -2.9 2.54 Favored 'General case' 0 N--CA 1.462 0.156 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.7 m120 70.4 -33.2 0.26 Allowed 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.553 ' H ' ' C ' ' A' ' 53' ' ' ARG . 64.8 t -136.17 138.59 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-O 121.041 0.448 . . . . 0.0 110.997 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.691 HG23 ' HB3' ' A' ' 65' ' ' ASP . 53.3 m -125.33 124.46 41.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.181 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.82 125.21 50.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 110.793 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.646 HG21 ' CE2' ' A' ' 127' ' ' PHE . 3.4 mp -107.84 125.02 64.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.18 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.63 -142.62 7.74 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.48 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.636 ' HD2' HG22 ' A' ' 73' ' ' ILE . 3.3 ttt85 -112.07 -23.74 10.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.717 0.294 . . . . 0.0 111.146 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.6 t -47.31 142.53 3.94 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.196 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.91 -22.43 66.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.7 m -86.22 -17.71 34.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.456 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 2.1 m -53.98 134.87 43.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.695 0.283 . . . . 0.0 111.117 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.691 ' HB3' HG23 ' A' ' 56' ' ' THR . 8.0 t70 -61.51 -44.8 96.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.904 0.383 . . . . 0.0 110.627 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.545 HG11 HD13 ' A' ' 37' ' ' LEU . 22.7 t -124.79 113.6 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.007 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.5 pt -96.01 130.04 45.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.221 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.842 HD13 HD11 ' A' ' 73' ' ' ILE . 0.6 OUTLIER -89.13 -177.2 5.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.81 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.2 m -120.64 59.26 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.21 121.31 22.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.782 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.46 -21.86 25.42 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.456 2.104 . . . . 0.0 112.611 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -123.01 35.02 4.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.069 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.842 HD11 HD13 ' A' ' 68' ' ' LEU . 2.4 tp -76.72 132.14 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.254 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.3 m -62.47 131.66 49.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.285 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.9 m -67.74 -43.93 78.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.905 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.462 ' O ' ' C ' ' A' ' 77' ' ' HIS . 3.5 m-85 -96.42 13.8 26.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.221 0.534 . . . . 0.0 111.334 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.462 ' C ' ' O ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -17.25 -73.71 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.572 -1.195 . . . . 0.0 112.952 -179.358 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -159.79 164.06 34.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.009 0.433 . . . . 0.0 111.917 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -126.6 131.4 51.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.554 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.891 ' CZ ' HG13 ' A' ' 97' ' ' VAL . 5.0 m-85 -119.32 131.19 55.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.742 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -94.77 116.26 28.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.874 0.369 . . . . 0.0 111.257 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -106.79 109.53 21.46 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.765 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.22 139.53 53.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.18 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.415 ' NE2' HD23 ' A' ' 34' ' ' LEU . 5.8 pt20 -129.08 128.86 44.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.766 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.28 132.43 20.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.982 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -107.07 138.29 43.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.764 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.4 p -140.04 137.79 38.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.208 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 67.93 -67.73 0.18 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.031 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 178.75 39.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.793 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -152.28 131.13 12.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.765 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -82.93 127.98 34.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.2 ttm-85 -115.79 110.94 19.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.625 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.408 ' OD1' HD11 ' A' ' 34' ' ' LEU . 5.9 m-80 -112.77 124.98 53.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.6 mp -131.98 137.24 47.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.712 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.473 ' N ' HD12 ' A' ' 95' ' ' ILE . 4.4 mp -118.85 137.7 51.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.272 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.549 ' OD1' HD11 ' A' ' 98' ' ' ILE . 19.6 t-20 -114.58 144.11 43.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.711 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.891 HG13 ' CZ ' ' A' ' 80' ' ' PHE . 21.7 t -107.32 135.08 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.451 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.549 HD11 ' OD1' ' A' ' 96' ' ' ASN . 24.6 mm -127.59 120.89 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.832 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.639 ' HB3' HD13 ' A' ' 112' ' ' LEU . 2.3 p30 -106.79 138.98 41.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.0 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -171.45 45.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -120.04 -176.31 3.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.97 -30.11 8.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.98 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -58.21 -75.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.224 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.58 128.69 2.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.474 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.747 ' HB ' HD12 ' A' ' 112' ' ' LEU . 4.0 m -127.6 123.09 34.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 0.0 110.799 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.431 ' CE2' ' HB3' ' A' ' 111' ' ' ARG . 8.0 m-85 -109.25 130.67 55.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.654 HG22 ' HG ' ' A' ' 112' ' ' LEU . 3.8 tp -123.08 137.27 57.08 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-O 121.484 0.659 . . . . 0.0 111.367 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 60.22 35.5 20.96 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.791 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 71.75 13.14 74.95 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.83 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -133.82 151.63 51.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.862 0.363 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.431 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -69.16 142.92 54.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.747 HD12 ' HB ' ' A' ' 105' ' ' THR . 3.8 mt -70.93 120.3 16.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 114' ' ' LYS . 11.4 p -122.81 -43.83 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.466 ' N ' HG13 ' A' ' 113' ' ' VAL . 4.0 mtmt -69.32 175.05 4.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.49 -29.26 8.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.047 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -118.84 76.27 1.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.951 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.428 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 0.8 OUTLIER -84.03 139.14 32.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.871 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.568 ' O ' HG23 ' A' ' 118' ' ' ILE . 8.5 tp -98.41 116.43 41.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.1 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.644 HD21 ' CD2' ' A' ' 135' ' ' PHE . 3.8 tt -103.03 131.63 49.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.042 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.96 178.05 6.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.782 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 4.4 p-10 -61.37 141.26 57.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.95 51.49 23.69 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.515 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.528 ' C ' HD12 ' A' ' 134' ' ' LEU . 4.6 m-20 -121.84 127.17 50.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.811 0.338 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.469 ' O ' HD12 ' A' ' 107' ' ' ILE . 1.3 mtt180 -81.01 128.6 33.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.733 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.421 ' HB ' ' CE1' ' A' ' 133' ' ' PHE . 2.9 mp -127.24 138.01 56.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.2 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 38.0 t -123.35 133.94 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.079 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.646 ' CE2' HG21 ' A' ' 58' ' ' ILE . 5.2 m-85 -123.39 138.32 54.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.014 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 78.9 -65.82 3.47 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.483 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.9 pttm 172.42 -35.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.72 0.295 . . . . 0.0 111.036 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.19 -39.14 4.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.55 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' CYS . . . . . . . . . . . . . 32.0 m -55.96 106.93 0.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.891 0.377 . . . . 0.0 111.197 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.4 m -124.3 128.09 48.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.85 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.421 ' CE1' ' HB ' ' A' ' 125' ' ' ILE . 16.2 p90 -141.98 156.05 45.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.917 0.389 . . . . 0.0 111.169 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.528 HD12 ' C ' ' A' ' 123' ' ' ASP . 4.3 tp -113.42 140.05 48.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.644 ' CD2' HD21 ' A' ' 119' ' ' LEU . 65.3 t80 -102.13 141.7 34.55 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.972 0.891 . . . . 0.0 111.82 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -154.35 151.75 29.42 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 113.874 -1.512 . . . . 0.0 110.802 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.439 ' CD1' ' N ' ' A' ' 137' ' ' TYR . 0.8 OUTLIER -82.74 139.81 33.4 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.009 0.433 . . . . 0.0 110.877 179.803 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.512 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . . . -107.06 129.33 54.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.153 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.5 m -147.24 130.29 16.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.22 123.64 47.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 15.1 t -117.8 141.37 48.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.9 m 60.72 157.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 4.3 m -71.16 118.58 14.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.68 -173.03 2.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.959 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.608 HG22 ' O ' ' A' ' 145' ' ' ILE . 1.6 mt -103.58 24.94 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.344 0 CA-C-O 121.738 0.78 . . . . 0.0 111.42 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -86.34 179.99 6.78 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 114.581 -1.191 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -63.36 133.61 54.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -89.61 -31.58 17.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.4 t0 61.75 114.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.6 164.24 29.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 5.9 pttt -168.32 169.7 10.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 21.5 t 60.67 87.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.4 m -119.89 92.62 3.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 38.1 p -153.18 135.02 14.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -74.86 -177.84 3.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 39.0 t -116.16 146.83 41.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 60.58 31.63 20.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 29.7 t -141.63 153.9 45.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' TYR . . . . . . . . . . . . . 2.4 t80 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.864 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.852 0.358 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.601 ' O ' HG23 ' B' ' 4' ' ' ILE . 0.5 OUTLIER -127.99 74.66 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.004 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' TPO . . . . . 0.616 ' O3P' HG22 ' B' ' 5' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.35 148.99 66.4 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.19 -173.78 1.01 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.524 2.149 . . . . 0.0 112.314 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -130.19 135.49 48.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -64.28 87.83 0.05 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.92 91.55 4.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.1 p . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.906 -179.989 . . . . . . . . 0 0 . 1 stop_ save_