data_2m0p_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 2m0p _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 1109 ' ' CYS . . . . . . . . . . . . . 73.9 m . . . . . 0 C--O 1.235 0.331 0 CA-C-O 120.801 0.334 . . . . 0.94 111.174 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 9.9 tp -72.87 168.25 19.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.278 -0.419 . . . . 1.29 110.652 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.91 -41.67 95.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.431 0.634 . . . . 2.32 109.97 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 6.3 p -90.16 -0.18 57.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.521 -0.763 . . . . 1.19 111.585 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1113 ' ' GLN . . . . . 0.429 ' O ' ' HE3' ' A' 1124 ' ' LYS . 76.7 mt-30 -97.59 153.01 18.46 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 121.722 0.773 . . . . 1.21 111.742 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 79.4 t80 -103.07 148.66 25.45 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.381 -1.281 . . . . 0.89 108.885 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 5.1 m -106.94 103.01 12.33 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 116.007 -0.542 . . . . 1.1 109.589 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1116 ' ' CYS . . . . . 0.421 ' HB3' ' OG ' ' A' 1138 ' ' SER . 32.3 m -65.79 169.92 5.92 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.622 -0.717 . . . . 0.65 111.102 -178.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 28.9 t70 -65.39 -30.84 71.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.324 0.583 . . . . 2.62 109.673 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -81.28 8.88 8.0 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.27 -0.877 . . . . 2.75 110.497 177.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 51.4 m80 68.39 20.05 8.71 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.763 -0.653 . . . . 1.35 111.707 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -78.82 146.28 33.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.177 -0.465 . . . . 1.99 110.139 177.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 85.3 m -107.86 99.93 9.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.932 0.396 . . . . 0.42 110.533 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 46.8 pt -113.13 174.63 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.271 -0.422 . . . . 1.07 110.297 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 23.4 t -71.59 141.55 50.01 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.937 0.399 . . . . 0.63 110.377 174.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1124 ' ' LYS . . . . . 0.429 ' HE3' ' O ' ' A' 1113 ' ' GLN . 97.9 mttt -67.51 -13.69 62.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 1.88 110.936 176.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 17.4 m120 -83.01 -9.95 59.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.96 0.41 . . . . 2.22 110.63 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 48.7 m0 -93.56 -14.32 26.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.144 -0.48 . . . . 0.67 110.468 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 69.6 t -65.76 119.17 10.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.969 -0.559 . . . . 1.06 111.052 -177.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 49.2 t 62.19 51.63 3.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.606 -0.725 . . . . 0.58 110.577 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -110.99 25.51 11.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.665 -0.698 . . . . 0.46 109.703 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 64.8 p 60.7 24.55 14.37 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.64 1.176 . . . . 1.34 112.515 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 26.7 t70 -147.6 119.12 7.93 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.763 -0.458 . . . . 1.21 109.763 173.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -64.99 120.59 12.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.103 0.477 . . . . 2.73 111.066 -177.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -102.2 -30.03 11.36 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.147 0.499 . . . . 1.28 110.515 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1134 ' ' CYS . . . . . 0.545 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 21.0 m -81.77 0.78 37.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.78 -0.645 . . . . 1.57 111.045 -178.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 82.48 -58.13 4.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.957 -0.64 . . . . 1.82 111.664 -176.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -73.5 -16.34 61.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.354 0.597 . . . . 2.85 110.094 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 80.89 23.11 60.18 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.44 -0.8 . . . . 0.82 112.465 176.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1138 ' ' SER . . . . . 0.462 ' O ' ' HG2' ' A' 1141 ' ' LYS . 4.9 p -66.31 -26.01 67.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.72 0.295 . . . . 1.17 111.402 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1139 ' ' ASP . . . . . 0.545 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 6.0 p-10 -72.46 -22.28 61.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.187 0.518 . . . . 0.33 110.175 176.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -92.02 -30.56 15.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.136 -0.483 . . . . 0.44 110.373 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1141 ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' 1138 ' ' SER . 17.3 pttp -71.42 -30.18 65.76 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.991 0.424 . . . . 2.08 110.544 -178.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 39.9 t30 . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 121.392 0.615 . . . . 2.44 109.441 178.073 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 63.7 m . . . . . 0 C--O 1.236 0.374 0 CA-C-O 120.902 0.382 . . . . 0.94 110.973 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.0 tp -69.76 164.24 23.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.346 -0.388 . . . . 1.29 110.64 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 17.3 t70 -61.42 -41.96 97.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.011 0.434 . . . . 2.32 110.388 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 22.9 p -94.84 8.18 43.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.127 -0.488 . . . . 1.19 111.64 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -100.97 156.07 17.6 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.508 0.67 . . . . 1.21 111.704 175.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 74.1 t80 -101.21 149.13 24.31 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.754 -1.112 . . . . 0.89 109.643 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 5.7 m -108.31 103.77 13.01 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.596 -0.729 . . . . 1.1 109.497 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 33.8 m -64.32 170.03 4.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.104 -0.498 . . . . 0.65 112.22 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 30.2 t70 -57.76 -44.35 86.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.226 0.536 . . . . 2.62 109.994 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 57.7 t30 -83.82 19.26 1.74 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.611 0.72 . . . . 2.75 110.464 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 52.8 m80 62.61 24.05 14.31 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.464 -0.789 . . . . 1.35 112.609 174.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -78.91 122.19 25.81 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.721 -0.474 . . . . 1.99 109.721 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 74.4 m -84.08 123.55 30.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.251 -0.432 . . . . 0.42 110.744 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 44.6 pt -135.83 174.03 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.916 -0.583 . . . . 1.07 109.448 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 28.7 t -70.2 138.6 51.9 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 110.025 -0.361 . . . . 0.63 110.025 175.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.61 -23.13 67.25 Favored 'General case' 0 N--CA 1.461 0.1 0 CA-C-O 121.075 0.464 . . . . 1.88 110.341 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -78.64 -8.69 58.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.879 -0.6 . . . . 2.22 110.097 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1126 ' ' TRP . . . . . 0.404 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 44.5 m0 -99.15 -2.73 36.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.801 -0.636 . . . . 0.67 110.764 179.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 86.2 t -73.13 123.44 28.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 116.293 -0.412 . . . . 1.06 110.934 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 4.6 t 62.72 49.26 3.85 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.493 -0.776 . . . . 0.58 110.379 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -117.32 16.41 14.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.83 -0.623 . . . . 0.46 110.581 -176.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 53.6 p 60.62 29.31 18.92 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.425 1.09 . . . . 1.34 112.184 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 16.1 t70 -130.5 138.32 50.19 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 109.83 -0.433 . . . . 1.21 109.83 171.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -84.48 48.54 1.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.213 0.449 . . . . 2.73 112.213 -178.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1133 ' ' ASP . . . . . 0.404 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.1 OUTLIER -51.46 -43.32 62.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.413 0.625 . . . . 1.28 110.128 169.027 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1134 ' ' CYS . . . . . . . . . . . . . 53.8 t -64.53 -14.95 59.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.773 -1.103 . . . . 1.57 111.911 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 78.36 -65.34 3.38 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.957 -0.639 . . . . 1.82 112.063 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -77.62 -16.29 58.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.359 0.599 . . . . 2.85 110.171 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 76.3 27.34 61.94 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.294 -0.866 . . . . 0.82 113.575 174.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1138 ' ' SER . . . . . . . . . . . . . 51.0 p -74.57 -19.83 60.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.236 0.518 . . . . 1.17 110.874 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -72.13 -28.7 63.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.377 0.608 . . . . 0.33 109.535 177.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -86.41 -17.83 33.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.392 -0.822 . . . . 0.44 110.626 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1141 ' ' LYS . . . . . . . . . . . . . 15.9 pttp -93.73 -30.3 14.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.039 0.447 . . . . 2.08 110.808 -176.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 5.7 t30 . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 116.029 -0.532 . . . . 2.44 110.106 -178.47 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 45.9 m . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 121.117 0.484 . . . . 0.94 111.37 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 5.6 tp -67.04 166.16 14.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.514 -0.766 . . . . 1.29 110.329 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.64 -37.56 85.09 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.054 0.454 . . . . 2.32 110.246 177.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 31.6 p -91.58 3.7 54.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 1.19 111.264 177.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -98.44 152.47 19.48 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-O 121.733 0.778 . . . . 1.21 111.83 177.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 77.5 t80 -101.52 149.42 24.1 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.317 -1.311 . . . . 0.89 108.967 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 20.7 m -112.34 104.73 12.9 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 116.33 -0.395 . . . . 1.1 110.186 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 99.2 m -60.91 161.52 8.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.868 -0.606 . . . . 0.65 111.115 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 26.1 t70 -55.56 -47.97 75.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.701 0.286 . . . . 2.62 110.741 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -79.16 25.56 0.29 Allowed 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 111.974 0.361 . . . . 2.75 111.974 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 29.0 m80 58.66 63.56 1.65 Allowed 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.465 0.543 . . . . 1.35 112.465 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1120 ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' 1134 ' ' CYS . 45.0 tt0 -119.7 140.26 50.96 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.243 -0.651 . . . . 1.99 109.243 174.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 66.9 m -106.34 111.06 23.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.172 0.51 . . . . 0.42 111.376 -176.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 48.1 pt -123.72 179.54 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.618 -0.719 . . . . 1.07 109.242 175.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1123 ' ' SER . . . . . 0.425 ' HB3' ' CG ' ' A' 1126 ' ' TRP . 27.4 t -74.93 142.84 43.94 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.711 -0.396 . . . . 0.63 110.014 175.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 93.4 mttt -66.65 -18.41 65.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.914 0.388 . . . . 1.88 111.109 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 64.5 t30 -78.69 -14.4 59.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.338 0.589 . . . . 2.22 110.113 176.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1126 ' ' TRP . . . . . 0.594 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 44.9 m0 -89.99 -3.29 58.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.997 -0.547 . . . . 0.67 111.096 -175.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 62.1 t -71.7 120.28 19.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.813 -0.63 . . . . 1.06 110.748 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 42.5 t 59.93 50.31 6.93 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.508 0.671 . . . . 0.58 110.166 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -113.77 11.49 18.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.871 -0.604 . . . . 0.46 110.43 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 76.7 p 60.16 23.22 12.52 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.023 0.929 . . . . 1.34 112.203 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -120.99 140.88 51.29 Favored 'General case' 0 C--O 1.244 0.795 0 N-CA-C 110.115 -0.328 . . . . 1.21 110.115 175.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -83.23 62.64 6.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.559 0.695 . . . . 2.73 110.842 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1133 ' ' ASP . . . . . 0.594 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.1 OUTLIER -71.07 -58.6 3.4 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.405 -0.816 . . . . 1.28 108.971 170.629 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1134 ' ' CYS . . . . . 0.452 ' HA ' ' NE2' ' A' 1120 ' ' GLN . 44.8 t -80.81 120.3 24.49 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.242 -0.89 . . . . 1.57 110.222 176.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -74.67 -21.33 78.82 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 111.375 -0.69 . . . . 1.82 111.375 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1136 ' ' ASP . . . . . 0.432 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 14.4 t70 -75.3 -26.69 58.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.307 0.575 . . . . 2.85 110.019 175.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 73.07 14.13 79.03 Favored Glycine 0 C--N 1.33 0.246 0 CA-C-N 115.435 -0.802 . . . . 0.82 113.634 172.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1138 ' ' SER . . . . . . . . . . . . . 5.3 p -79.48 -15.29 58.02 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.968 0.384 . . . . 1.17 111.007 -178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1139 ' ' ASP . . . . . 0.402 ' OD1' ' HB3' ' A' 1134 ' ' CYS . 4.8 p-10 -73.52 -35.47 65.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.3 0.571 . . . . 0.33 109.608 176.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -79.72 -30.25 40.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.803 -0.635 . . . . 0.44 110.069 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1141 ' ' LYS . . . . . . . . . . . . . 14.0 pttp -75.96 -29.36 58.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.023 0.44 . . . . 2.08 110.091 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 121.728 0.775 . . . . 2.44 109.93 178.776 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 79.6 m . . . . . 0 N--CA 1.451 -0.406 0 CA-C-O 120.401 0.143 . . . . 0.94 110.781 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.2 tp -51.92 160.69 0.67 Allowed 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 123.449 0.7 . . . . 1.29 111.939 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 26.4 t70 -60.02 -37.67 80.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.17 0.509 . . . . 2.32 110.535 176.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 11.1 p -92.85 -0.86 57.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.947 -0.569 . . . . 1.19 111.416 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -100.14 159.3 15.21 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 121.658 0.742 . . . . 1.21 111.957 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 76.0 t80 -105.93 147.6 28.6 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.565 -1.198 . . . . 0.89 108.979 175.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 5.9 m -105.67 97.95 7.71 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 108.848 -0.797 . . . . 1.1 108.848 177.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 31.5 m -59.61 161.72 5.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.873 -0.603 . . . . 0.65 111.022 -176.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 22.0 t70 -57.15 -28.01 62.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.375 0.607 . . . . 2.62 110.638 178.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 4.3 m120 -89.85 18.2 5.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.444 -0.798 . . . . 2.75 110.996 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 33.6 m80 56.1 51.54 11.74 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.204 0.526 . . . . 1.35 110.747 -176.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -116.74 143.48 45.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.986 -0.552 . . . . 1.99 109.55 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 72.1 m -101.94 108.35 19.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.968 0.413 . . . . 0.42 111.504 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 42.9 pt -120.91 174.92 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.693 -0.685 . . . . 1.07 109.754 175.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 28.2 t -76.43 144.58 39.88 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.745 -0.465 . . . . 0.63 109.745 174.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 94.9 mttt -65.23 -21.17 66.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.488 -0.323 . . . . 1.88 110.803 177.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 17.9 m120 -78.31 -10.99 59.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.033 0.444 . . . . 2.22 110.501 176.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1126 ' ' TRP . . . . . 0.493 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 43.8 m0 -91.38 -12.67 34.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.017 -0.538 . . . . 0.67 110.097 178.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 59.1 t -71.09 122.32 22.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 116.226 -0.443 . . . . 1.06 111.193 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 35.4 t 64.07 49.45 2.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.614 0.721 . . . . 0.58 110.042 176.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -116.79 16.65 15.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.321 -0.854 . . . . 0.46 110.321 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 82.0 p 59.87 28.49 17.99 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.621 1.169 . . . . 1.34 112.418 -177.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -128.38 136.76 51.36 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.154 -0.475 . . . . 1.21 109.891 173.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -84.48 57.72 4.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.332 0.587 . . . . 2.73 111.569 -176.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1133 ' ' ASP . . . . . 0.493 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.1 OUTLIER -62.95 -36.33 83.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.674 -0.694 . . . . 1.28 110.871 175.824 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1134 ' ' CYS . . . . . 0.652 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 94.7 m -75.29 4.84 6.4 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.698 0.258 . . . . 1.57 111.698 175.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 78.76 -69.23 2.9 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.858 -0.687 . . . . 1.82 111.758 -177.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 5.6 t70 -68.44 -24.82 64.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.568 0.699 . . . . 2.85 110.399 174.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 80.32 32.64 34.27 Favored Glycine 0 N--CA 1.443 -0.889 0 N-CA-C 110.592 -1.003 . . . . 0.82 110.592 -173.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1138 ' ' SER . . . . . 0.455 ' HA ' ' HG2' ' A' 1141 ' ' LYS . 3.5 p -67.97 -24.58 65.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.87 0.367 . . . . 1.17 111.269 -178.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1139 ' ' ASP . . . . . 0.652 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 6.2 p-10 -67.15 -28.27 67.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.56 0.695 . . . . 0.33 109.304 173.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -82.66 -38.6 23.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.068 -0.969 . . . . 0.44 110.277 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1141 ' ' LYS . . . . . 0.455 ' HG2' ' HA ' ' A' 1138 ' ' SER . 41.6 pttt -75.23 -27.29 59.46 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.968 -0.56 . . . . 2.08 110.542 -177.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 13.9 t-20 . . . . . 0 C--N 1.326 -0.445 0 CA-C-O 121.628 0.728 . . . . 2.44 109.437 176.473 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 85.6 m . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.723 0.297 . . . . 0.94 110.828 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 9.2 tp -58.66 162.94 3.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.162 -0.472 . . . . 1.29 110.423 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.55 -47.98 83.78 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.549 -0.46 . . . . 2.32 110.008 176.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 22.2 p -82.29 -3.2 54.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.821 -0.627 . . . . 1.19 111.616 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -91.39 152.7 20.3 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.547 0.689 . . . . 1.21 111.6 177.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 87.3 t80 -101.92 148.01 25.84 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.577 -1.192 . . . . 0.89 108.962 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 7.2 m -111.32 104.94 13.46 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 116.019 -0.537 . . . . 1.1 109.727 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1116 ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' A' 1120 ' ' GLN . 71.9 m -59.8 160.3 7.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.139 -0.482 . . . . 0.65 111.415 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -56.4 -44.39 80.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.86 0.362 . . . . 2.62 110.524 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -83.15 16.2 2.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 2.75 111.511 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 58.6 m80 66.72 83.79 0.16 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.287 0.635 . . . . 1.35 112.031 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1120 ' ' GLN . . . . . 0.463 ' HB3' ' SG ' ' A' 1116 ' ' CYS . 59.2 tp60 -142.6 131.28 22.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.493 -0.776 . . . . 1.99 108.936 175.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 62.6 m -94.78 111.48 23.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.937 0.399 . . . . 0.42 111.262 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 44.8 pt -124.27 -176.94 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.135 -0.691 . . . . 1.07 109.135 173.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 29.6 t -78.75 143.46 36.13 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.8 0.333 . . . . 0.63 110.342 175.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 95.8 mttt -67.43 -16.04 64.01 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.885 0.374 . . . . 1.88 110.383 174.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 65.3 t30 -76.75 -17.5 59.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.411 0.624 . . . . 2.22 109.55 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 43.4 m0 -89.24 -7.8 54.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.547 -0.751 . . . . 0.67 110.653 -178.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1127 ' ' VAL . . . . . 0.419 ' HA ' ' HB2' ' A' 1139 ' ' ASP . 90.2 t -70.67 111.4 4.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 116.047 -0.524 . . . . 1.06 110.676 178.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 48.5 t 64.85 47.07 2.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.698 0.761 . . . . 0.58 109.941 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -109.43 18.65 20.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.576 -0.738 . . . . 0.46 110.481 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 68.5 p 52.9 42.15 32.02 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 123.669 0.788 . . . . 1.34 111.352 -177.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 12.3 t70 -139.27 147.35 41.56 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 116.054 -0.521 . . . . 1.21 109.775 175.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -86.31 36.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.725 0.641 . . . . 2.73 112.698 -171.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1133 ' ' ASP . . . . . 0.509 ' O ' ' HB3' ' A' 1134 ' ' CYS . 0.7 OUTLIER -62.7 169.54 3.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.597 -0.52 . . . . 1.28 109.597 169.122 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1134 ' ' CYS . . . . . 0.509 ' HB3' ' O ' ' A' 1133 ' ' ASP . 42.2 t 73.26 154.2 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.684 0.615 . . . . 1.57 110.16 -176.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -95.49 30.4 8.34 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.548 -0.834 . . . . 1.82 112.167 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 20.9 t70 -158.25 -47.15 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.8 0.333 . . . . 2.85 111.273 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 104.83 11.12 31.12 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.723 -0.751 . . . . 0.82 112.003 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1138 ' ' SER . . . . . 0.428 ' O ' ' HG2' ' A' 1141 ' ' LYS . 63.4 p -64.96 -16.04 62.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.095 0.474 . . . . 1.17 110.979 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1139 ' ' ASP . . . . . 0.419 ' HB2' ' HA ' ' A' 1127 ' ' VAL . 7.6 p-10 -73.61 -34.83 65.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.763 -0.653 . . . . 0.33 109.98 177.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -81.26 -29.36 34.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.899 -0.591 . . . . 0.44 110.096 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1141 ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' 1138 ' ' SER . 14.2 pttp -74.31 -31.69 62.57 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.078 -0.51 . . . . 2.08 110.884 -177.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 5.4 t30 . . . . . 0 C--O 1.235 0.312 0 CA-C-O 121.467 0.651 . . . . 2.44 109.518 179.785 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 64.2 m . . . . . 0 C--O 1.236 0.374 0 N-CA-C 109.703 -0.48 . . . . 0.94 109.703 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 7.8 tp -54.44 158.1 2.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.784 -0.644 . . . . 1.29 110.826 176.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.8 -25.9 68.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.282 -0.417 . . . . 2.32 110.912 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 19.3 p -104.72 4.14 32.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.208 -0.451 . . . . 1.19 111.036 177.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -100.84 155.33 17.99 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.384 0.611 . . . . 1.21 111.415 177.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 76.2 t80 -106.81 152.54 23.73 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.87 -1.059 . . . . 0.89 109.147 177.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 20.4 m -115.38 99.07 7.11 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 116.118 -0.492 . . . . 1.1 109.893 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 88.7 m -74.18 -175.38 2.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.761 -0.654 . . . . 0.65 112.466 -177.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -53.88 -42.99 69.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.682 -0.69 . . . . 2.62 111.674 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -85.74 18.45 2.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.679 -0.237 . . . . 2.75 111.158 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 32.6 m170 58.42 27.93 16.15 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.186 0.517 . . . . 1.35 109.813 -173.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -72.62 112.28 8.52 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.342 -0.844 . . . . 1.99 109.298 -177.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 71.2 m -80.81 98.12 7.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.352 0.596 . . . . 0.42 110.526 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1122 ' ' ILE . . . . . 0.488 HD12 ' SG ' ' A' 1134 ' ' CYS . 48.4 pt -112.57 175.84 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.312 -0.858 . . . . 1.07 109.192 176.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1123 ' ' SER . . . . . 0.503 ' HG ' ' HB2' ' A' 1125 ' ' ASN . 16.5 t -74.52 146.21 42.85 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.493 -0.483 . . . . 0.63 109.898 175.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.63 -13.68 59.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 1.88 110.271 174.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1125 ' ' ASN . . . . . 0.503 ' HB2' ' HG ' ' A' 1123 ' ' SER . 3.6 m-20 -85.1 -16.09 41.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.041 -0.527 . . . . 2.22 110.367 176.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1126 ' ' TRP . . . . . 0.577 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 44.2 m0 -89.5 -9.93 48.18 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 121.386 0.612 . . . . 0.67 109.96 178.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 95.0 t -69.32 118.38 13.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.212 -0.904 . . . . 1.06 109.958 175.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 41.4 t 65.42 48.21 2.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.784 -0.644 . . . . 0.58 109.935 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -112.35 9.14 19.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.824 -0.626 . . . . 0.46 110.112 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 56.2 p 55.37 25.19 7.33 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.189 0.996 . . . . 1.34 112.574 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 23.3 t70 -128.98 140.0 51.84 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.29 -0.633 . . . . 1.21 109.29 173.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -77.24 102.24 6.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.45 0.643 . . . . 2.73 111.728 -171.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1133 ' ' ASP . . . . . 0.577 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.2 OUTLIER -115.43 -21.64 9.71 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.204 -0.907 . . . . 1.28 109.778 174.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1134 ' ' CYS . . . . . 0.488 ' SG ' HD12 ' A' 1122 ' ' ILE . 96.4 m -120.75 141.33 50.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.083 -0.508 . . . . 1.57 110.771 175.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -51.77 -64.8 3.63 Favored Glycine 0 C--N 1.335 0.512 0 N-CA-C 114.256 0.462 . . . . 1.82 114.256 -172.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 13.5 t70 -66.25 -15.48 63.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.203 0.525 . . . . 2.85 111.607 -177.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 71.16 32.15 65.86 Favored Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 109.938 -1.265 . . . . 0.82 109.938 -170.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1138 ' ' SER . . . . . 0.454 ' HA ' ' HD3' ' A' 1141 ' ' LYS . 8.6 p -68.46 -26.07 65.31 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.028 -0.586 . . . . 1.17 111.059 -176.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -68.79 -33.82 74.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.819 -0.628 . . . . 0.33 109.588 174.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -78.51 -39.86 36.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.783 -0.644 . . . . 0.44 110.181 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1141 ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' A' 1138 ' ' SER . 46.6 pttt -68.7 -25.96 65.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.047 -0.524 . . . . 2.08 110.778 -176.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 6.7 t30 . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 122.031 0.92 . . . . 2.44 109.01 175.53 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 95.4 m . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.566 0.222 . . . . 0.94 111.44 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 7.8 tp -48.01 151.26 0.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 123.21 0.604 . . . . 1.29 111.296 -175.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 32.8 t70 -61.77 -27.06 68.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.175 0.512 . . . . 2.32 110.312 177.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 6.8 p -99.03 5.0 47.29 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.792 -0.64 . . . . 1.19 111.16 176.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1113 ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' 1122 ' ' ILE . 65.0 mt-30 -99.09 146.65 25.87 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.746 0.784 . . . . 1.21 111.808 176.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1114 ' ' TYR . . . . . 0.526 ' O ' ' HA ' ' A' 1121 ' ' CYS . 77.7 t80 -107.04 144.41 33.73 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.503 -1.226 . . . . 0.89 108.788 175.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 3.0 m -96.83 100.93 12.45 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 109.22 -0.659 . . . . 1.1 109.22 -178.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1116 ' ' CYS . . . . . 0.487 ' HB2' ' O ' ' A' 1120 ' ' GLN . 47.3 m -68.06 171.86 6.36 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.594 0.961 . . . . 0.65 113.594 -172.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1117 ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' 1118 ' ' ASN . 2.0 p30 -49.83 -50.08 46.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.437 -1.256 . . . . 2.62 111.474 172.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1118 ' ' ASN . . . . . 0.426 ' N ' ' OD1' ' A' 1117 ' ' ASP . 11.5 t-20 -76.41 8.24 3.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.813 -0.63 . . . . 2.75 111.198 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 56.5 m80 70.14 3.89 4.59 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.329 0.652 . . . . 1.35 111.255 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1120 ' ' GLN . . . . . 0.487 ' O ' ' HB2' ' A' 1116 ' ' CYS . 51.1 tp60 -72.93 137.17 45.38 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.484 -0.932 . . . . 1.99 108.484 173.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1121 ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' 1114 ' ' TYR . 88.1 m -105.6 119.09 38.24 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.715 0.769 . . . . 0.42 111.376 -177.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1122 ' ' ILE . . . . . 0.441 ' HB ' ' CE3' ' A' 1126 ' ' TRP . 40.1 pt -109.79 173.74 2.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 114.496 -1.229 . . . . 1.07 109.44 -177.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 46.9 t -74.76 136.76 41.71 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.098 -0.705 . . . . 0.63 109.098 174.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.31 -21.34 63.88 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.802 0.334 . . . . 1.88 110.752 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -63.91 -26.44 68.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.874 -0.603 . . . . 2.22 110.95 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1126 ' ' TRP . . . . . 0.441 ' CE3' ' HB ' ' A' 1122 ' ' ILE . 33.3 m0 -82.04 -18.83 41.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.063 0.459 . . . . 0.67 110.383 -178.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 84.2 t -65.9 118.74 9.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.897 -0.592 . . . . 1.06 110.748 -177.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 41.9 t 66.82 53.98 0.83 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.463 -0.79 . . . . 0.58 110.335 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -117.48 27.08 9.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.426 -0.807 . . . . 0.46 110.144 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 41.1 p 53.37 38.29 27.5 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.077 -0.965 . . . . 1.34 112.026 -177.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -152.24 130.69 12.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.793 -0.64 . . . . 1.21 110.137 176.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1132 ' ' ASN . . . . . 0.429 HD21 ' HA3' ' A' 1137 ' ' GLY . 15.1 m120 -74.35 101.75 4.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.506 0.193 . . . . 2.73 111.147 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -93.87 -37.99 11.45 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.867 0.365 . . . . 1.28 110.227 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1134 ' ' CYS . . . . . 0.676 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 61.5 m -72.33 -177.75 2.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.96 -0.564 . . . . 1.57 110.763 177.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -71.88 -52.18 12.66 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.538 -0.839 . . . . 1.82 111.886 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -92.99 -27.36 17.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.329 0.585 . . . . 2.85 109.968 178.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1137 ' ' GLY . . . . . 0.429 ' HA3' HD21 ' A' 1132 ' ' ASN . . . 111.05 30.68 3.1 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.497 -0.774 . . . . 0.82 111.661 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1138 ' ' SER . . . . . 0.441 ' HA ' ' HG2' ' A' 1141 ' ' LYS . 92.0 p -62.79 -27.03 69.02 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.444 0.298 . . . . 1.17 111.584 -176.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1139 ' ' ASP . . . . . 0.676 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 5.0 p-10 -67.0 -26.83 66.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.294 0.569 . . . . 0.33 110.384 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -87.66 -31.9 19.52 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.967 -0.561 . . . . 0.44 110.604 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1141 ' ' LYS . . . . . 0.441 ' HG2' ' HA ' ' A' 1138 ' ' SER . 16.5 pttp -75.06 -29.98 60.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.178 0.513 . . . . 2.08 110.187 -178.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 5.5 t30 . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.72 -0.673 . . . . 2.44 109.693 178.81 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 38.6 m . . . . . 0 C--O 1.234 0.271 0 CA-C-O 120.594 0.235 . . . . 0.94 110.543 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 11.5 tp -60.94 162.03 7.49 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.453 -0.34 . . . . 1.29 110.817 -178.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -62.19 -39.45 92.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.403 0.62 . . . . 2.32 109.699 176.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 14.2 p -96.92 6.78 48.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.358 -0.837 . . . . 1.19 111.544 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1113 ' ' GLN . . . . . 0.675 ' OE1' ' HB3' ' A' 1121 ' ' CYS . 53.0 mt-30 -99.99 160.71 14.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.127 0.489 . . . . 1.21 111.317 174.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1114 ' ' TYR . . . . . 0.413 ' O ' ' HA ' ' A' 1121 ' ' CYS . 66.9 t80 -113.81 154.4 27.49 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.41 -0.814 . . . . 0.89 110.04 178.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 7.5 m -109.97 107.3 17.15 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.991 -0.549 . . . . 1.1 109.944 177.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 92.6 m -75.84 175.87 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.508 -0.315 . . . . 0.65 111.529 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -62.9 -28.47 70.07 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.161 0.505 . . . . 2.62 110.659 -178.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -82.62 9.43 9.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.868 -0.606 . . . . 2.75 110.39 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 67.1 m80 63.03 26.59 15.53 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.888 -0.596 . . . . 1.35 110.332 -176.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -85.97 130.63 34.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.325 -0.852 . . . . 1.99 109.97 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1121 ' ' CYS . . . . . 0.675 ' HB3' ' OE1' ' A' 1113 ' ' GLN . 61.6 m -94.76 102.18 14.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.988 0.423 . . . . 0.42 110.992 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 45.5 pt -110.74 173.92 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.105 -0.498 . . . . 1.07 110.231 176.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1123 ' ' SER . . . . . 0.434 ' HG ' ' HB2' ' A' 1125 ' ' ASN . 10.5 t -72.08 141.31 49.23 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 110.056 -0.35 . . . . 0.63 110.056 175.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1124 ' ' LYS . . . . . 0.469 ' HE3' ' O ' ' A' 1113 ' ' GLN . 92.2 mttt -65.57 -16.32 63.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.759 0.314 . . . . 1.88 110.602 176.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1125 ' ' ASN . . . . . 0.434 ' HB2' ' HG ' ' A' 1123 ' ' SER . 36.7 m-80 -77.12 -22.22 53.0 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.184 0.516 . . . . 2.22 109.816 176.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1126 ' ' TRP . . . . . 0.505 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 50.5 m0 -86.47 -10.31 54.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.859 -0.609 . . . . 0.67 110.469 -178.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1127 ' ' VAL . . . . . 0.408 ' HA ' ' OD2' ' A' 1139 ' ' ASP . 93.9 t -69.84 121.69 19.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.856 -0.611 . . . . 1.06 110.685 178.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 28.1 t 64.42 49.6 2.44 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.601 0.715 . . . . 0.58 110.207 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -114.32 14.66 18.05 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.576 -0.738 . . . . 0.46 110.318 -178.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 72.8 p 57.41 29.84 17.61 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.961 0.905 . . . . 1.34 112.133 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 14.5 t70 -133.46 140.79 47.48 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 116.244 -0.434 . . . . 1.21 109.974 174.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 10.0 m120 -84.41 67.87 10.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.334 0.588 . . . . 2.73 111.533 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1133 ' ' ASP . . . . . 0.505 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.0 OUTLIER -62.95 -45.6 91.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.342 -0.845 . . . . 1.28 108.892 169.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1134 ' ' CYS . . . . . . . . . . . . . 70.1 m -94.89 136.54 35.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.635 -0.711 . . . . 1.57 109.67 169.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -52.28 -54.7 25.46 Favored Glycine 0 C--O 1.236 0.244 0 C-N-CA 121.448 -0.406 . . . . 1.82 113.868 -170.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -83.91 0.94 45.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.902 0.382 . . . . 2.85 111.829 -175.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 59.96 40.76 97.36 Favored Glycine 0 N--CA 1.453 -0.232 0 CA-C-N 115.653 -0.703 . . . . 0.82 113.071 175.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1138 ' ' SER . . . . . 0.549 ' O ' ' HG2' ' A' 1141 ' ' LYS . 2.1 p -74.38 -16.05 60.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.996 0.427 . . . . 1.17 110.827 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1139 ' ' ASP . . . . . 0.408 ' OD2' ' HA ' ' A' 1127 ' ' VAL . 4.5 p-10 -73.71 -35.08 65.07 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.138 -0.69 . . . . 0.33 109.138 174.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -72.32 -39.56 68.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.435 -0.802 . . . . 0.44 109.873 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1141 ' ' LYS . . . . . 0.549 ' HG2' ' O ' ' A' 1138 ' ' SER . 15.2 pttp -66.49 -28.68 68.77 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.259 0.552 . . . . 2.08 109.871 178.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 5.3 t30 . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 115.516 -0.765 . . . . 2.44 109.185 177.314 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.236 0.362 0 CA-C-O 120.912 0.387 . . . . 0.94 111.693 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 9.3 tp -57.5 157.84 6.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.664 -0.698 . . . . 1.29 110.552 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -66.96 -26.58 66.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.053 0.454 . . . . 2.32 109.798 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 6.5 p -99.42 1.8 44.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.73 -0.668 . . . . 1.19 111.18 177.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -100.37 164.89 11.72 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.263 0.554 . . . . 1.21 111.115 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 71.0 t80 -109.15 150.34 28.01 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.037 -0.983 . . . . 0.89 109.639 173.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 9.6 m -113.41 103.25 11.1 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.704 -0.68 . . . . 1.1 109.614 178.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 76.5 m -66.34 169.3 7.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.428 -0.351 . . . . 0.65 111.337 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 15.1 t70 -54.74 -47.02 74.35 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.565 -0.289 . . . . 2.62 111.775 -172.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -88.44 30.12 0.92 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.801 0.334 . . . . 2.75 111.551 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 64.0 m170 59.76 64.33 1.32 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.709 -0.678 . . . . 1.35 112.108 175.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1120 ' ' GLN . . . . . 0.47 ' HA ' ' OE1' ' A' 1120 ' ' GLN . 6.0 tp60 -118.46 128.38 54.55 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.601 -0.518 . . . . 1.99 109.601 173.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 75.2 m -90.38 112.62 24.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.937 -0.574 . . . . 0.42 110.997 -178.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1122 ' ' ILE . . . . . 0.437 HD11 ' SG ' ' A' 1134 ' ' CYS . 38.3 pt -129.88 169.95 19.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.713 -0.676 . . . . 1.07 110.07 177.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 13.1 t -70.83 144.68 50.7 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.869 -0.419 . . . . 0.63 109.869 175.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 97.1 mttt -68.65 -11.05 59.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.368 . . . . 1.88 110.138 175.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -79.56 -20.47 46.98 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.21 0.528 . . . . 2.22 109.841 174.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1126 ' ' TRP . . . . . 0.469 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 46.0 m0 -87.55 -13.71 42.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.766 -0.652 . . . . 0.67 110.336 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 89.5 t -69.98 120.49 17.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.118 -0.492 . . . . 1.06 110.416 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 41.9 t 63.59 48.89 3.22 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.627 0.727 . . . . 0.58 110.368 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -114.34 12.35 17.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.661 -0.7 . . . . 0.46 109.723 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 57.9 p 56.19 31.41 18.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.815 -1.084 . . . . 1.34 112.318 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 21.7 t70 -131.07 146.65 52.45 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-N 116.347 -0.388 . . . . 1.21 110.195 174.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -82.69 88.25 6.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.697 -0.683 . . . . 2.73 111.218 -176.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1133 ' ' ASP . . . . . 0.469 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.0 OUTLIER -98.09 -18.83 18.31 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.607 -0.724 . . . . 1.28 110.19 178.459 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1134 ' ' CYS . . . . . 0.437 ' SG ' HD11 ' A' 1122 ' ' ILE . 87.8 m -118.98 146.39 45.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.939 -0.573 . . . . 1.57 110.095 175.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -79.88 47.39 3.31 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 121.164 -0.541 . . . . 1.82 112.963 -176.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 3.9 p30 -164.91 -35.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 122.607 0.363 . . . . 2.85 110.671 178.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 90.68 18.3 48.68 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.087 -0.578 . . . . 0.82 111.898 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1138 ' ' SER . . . . . 0.511 ' O ' ' HG2' ' A' 1141 ' ' LYS . 37.3 p -69.05 -22.77 64.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.563 0.22 . . . . 1.17 111.397 -177.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1139 ' ' ASP . . . . . 0.522 ' HA ' ' ND2' ' A' 1142 ' ' ASN . 3.3 p-10 -69.17 -32.76 72.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.347 0.594 . . . . 0.33 109.814 176.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -79.65 -26.55 41.03 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.713 -0.676 . . . . 0.44 110.377 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1141 ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' 1138 ' ' SER . 54.2 pttt -82.69 -26.96 31.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.319 -0.401 . . . . 2.08 111.679 -174.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1142 ' ' ASN . . . . . 0.522 ' ND2' ' HA ' ' A' 1139 ' ' ASP . 7.8 p30 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.057 0.456 . . . . 2.44 110.644 -178.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 38.5 m . . . . . 0 N--CA 1.449 -0.518 0 CA-C-O 120.565 0.221 . . . . 0.94 110.503 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.2 tp -56.93 151.16 15.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.97 -0.559 . . . . 1.29 109.949 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.12 -23.54 67.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.978 0.418 . . . . 2.32 110.337 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1112 ' ' THR . . . . . 0.582 ' O ' ' HG3' ' A' 1124 ' ' LYS . 5.1 p -100.93 7.47 43.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.07 -0.514 . . . . 1.19 111.095 175.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1113 ' ' GLN . . . . . 0.688 ' OE1' ' HB3' ' A' 1121 ' ' CYS . 59.2 mt-30 -105.87 167.67 9.63 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.272 0.558 . . . . 1.21 110.896 173.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 61.3 t80 -107.76 151.12 26.13 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.356 -0.838 . . . . 0.89 110.013 177.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 10.6 m -108.16 114.09 27.71 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.565 -0.743 . . . . 1.1 109.746 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 23.6 m -76.12 167.56 21.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.584 -0.28 . . . . 0.65 110.848 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 25.2 t70 -56.88 -36.86 70.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.235 0.54 . . . . 2.62 110.68 177.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -79.83 12.74 2.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.8 -0.636 . . . . 2.75 111.248 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 39.1 m80 63.98 26.44 14.12 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 122.765 0.426 . . . . 1.35 110.883 -177.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -87.83 151.91 22.5 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.378 -0.601 . . . . 1.99 109.378 178.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1121 ' ' CYS . . . . . 0.688 ' HB3' ' OE1' ' A' 1113 ' ' GLN . 60.0 m -113.18 113.59 25.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.099 0.476 . . . . 0.42 111.577 -176.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1122 ' ' ILE . . . . . 0.407 ' HB ' ' CE3' ' A' 1126 ' ' TRP . 38.5 pt -120.83 169.2 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.836 -0.62 . . . . 1.07 109.734 177.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1123 ' ' SER . . . . . 0.42 ' HG ' ' HB2' ' A' 1125 ' ' ASN . 14.3 t -72.63 145.9 46.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.868 0.366 . . . . 0.63 110.127 175.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1124 ' ' LYS . . . . . 0.582 ' HG3' ' O ' ' A' 1112 ' ' THR . 49.8 mttm -67.78 -15.8 63.81 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.096 -0.502 . . . . 1.88 110.556 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1125 ' ' ASN . . . . . 0.42 ' HB2' ' HG ' ' A' 1123 ' ' SER . 16.1 m120 -74.13 -22.24 59.54 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 120.982 0.42 . . . . 2.22 110.71 178.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1126 ' ' TRP . . . . . 0.407 ' CE3' ' HB ' ' A' 1122 ' ' ILE . 36.0 m0 -79.88 -23.42 41.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.118 -0.492 . . . . 0.67 110.189 -178.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 67.0 t -64.16 116.61 3.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.101 -0.499 . . . . 1.06 111.031 -176.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1128 ' ' CYS . . . . . 0.412 ' HA ' ' OE1' ' A' 1140 ' ' GLU . 41.6 t 64.36 52.08 1.94 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 122.114 0.959 . . . . 0.58 110.179 178.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -110.19 14.11 22.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.163 -0.926 . . . . 0.46 109.54 176.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 40.9 p 66.17 8.29 5.44 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.094 1.357 . . . . 1.34 112.217 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 31.8 t70 -120.68 104.0 9.57 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.081 -0.711 . . . . 1.21 109.081 172.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 9.0 p30 -59.53 128.64 38.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.139 0.495 . . . . 2.73 111.978 -173.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -113.66 -172.23 2.04 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.947 -0.76 . . . . 1.28 108.947 176.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1134 ' ' CYS . . . . . 0.407 ' SG ' HD11 ' A' 1122 ' ' ILE . 35.6 m 66.89 9.34 6.75 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.105 0.253 . . . . 1.57 111.373 177.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 74.65 -47.02 1.75 Allowed Glycine 0 CA--C 1.522 0.517 0 C-N-CA 121.319 -0.467 . . . . 1.82 112.892 -176.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -95.76 -8.1 35.37 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.099 0.407 . . . . 2.85 112.099 -177.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 75.91 30.99 56.78 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.559 -0.829 . . . . 0.82 112.574 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1138 ' ' SER . . . . . . . . . . . . . 27.6 p -73.64 -1.02 17.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.049 0.452 . . . . 1.17 111.407 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -96.1 -26.68 15.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.121 0.486 . . . . 0.33 110.045 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1140 ' ' GLU . . . . . 0.412 ' OE1' ' HA ' ' A' 1128 ' ' CYS . 75.7 mm-40 -92.34 -9.04 43.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.008 -0.542 . . . . 0.44 110.315 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1141 ' ' LYS . . . . . . . . . . . . . 21.7 pttp -66.24 -28.96 69.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.093 0.473 . . . . 2.08 110.652 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 10.7 t30 . . . . . 0 C--N 1.327 -0.401 0 CA-C-O 121.647 0.737 . . . . 2.44 109.326 176.178 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 59.8 m . . . . . 0 C--O 1.235 0.306 0 CA-C-O 121.11 0.481 . . . . 0.94 111.819 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.5 tp -60.21 160.99 7.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.675 -0.693 . . . . 1.29 110.386 177.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -64.44 -34.75 78.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.971 0.415 . . . . 2.32 110.222 176.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 29.5 p -89.69 -3.91 57.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.01 -0.541 . . . . 1.19 111.221 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -94.61 157.16 16.1 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 121.895 0.855 . . . . 1.21 112.129 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 88.2 t80 -103.14 150.82 23.26 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.158 -1.383 . . . . 0.89 108.652 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 12.9 m -115.29 100.44 8.13 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 116.218 -0.446 . . . . 1.1 109.933 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 34.4 m -60.01 162.85 5.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.732 -0.667 . . . . 0.65 110.332 178.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 13.8 t70 -67.78 -3.86 10.71 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.627 0.727 . . . . 2.62 110.414 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 14.0 m120 -104.4 15.56 27.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.27 -0.877 . . . . 2.75 110.175 177.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 30.7 m80 57.57 32.1 21.32 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.138 0.494 . . . . 1.35 111.204 -175.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -95.62 124.85 39.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.828 -0.624 . . . . 1.99 109.728 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 66.9 m -89.74 119.54 30.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.937 0.398 . . . . 0.42 110.975 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 45.0 pt -132.91 173.58 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.815 -0.63 . . . . 1.07 109.632 176.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 13.4 t -71.65 141.31 49.92 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.011 0.434 . . . . 0.63 110.114 174.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.72 -20.92 66.61 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 116.154 -0.475 . . . . 1.88 110.364 175.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -78.52 -13.77 59.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.001 0.429 . . . . 2.22 110.643 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 40.6 m0 -86.25 -17.71 34.02 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.975 -0.557 . . . . 0.67 110.29 177.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 60.0 t -67.68 120.59 15.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 116.454 -0.339 . . . . 1.06 111.107 -176.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 44.3 t 62.51 54.47 2.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.674 0.75 . . . . 0.58 110.395 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -116.95 27.59 9.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.493 -0.776 . . . . 0.46 110.262 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 40.2 p 60.31 16.52 6.27 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.458 1.103 . . . . 1.34 112.334 -179.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 15.2 t70 -133.38 119.92 20.29 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.708 -0.478 . . . . 1.21 109.708 177.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -69.95 106.35 3.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.265 0.555 . . . . 2.73 111.033 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -95.0 -39.73 10.02 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 116.219 -0.446 . . . . 1.28 110.708 -177.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1134 ' ' CYS . . . . . 0.601 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 21.4 m -73.83 152.97 40.11 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.264 -0.643 . . . . 1.57 109.264 175.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -49.94 -58.58 8.39 Favored Glycine 0 C--O 1.235 0.195 0 C-N-CA 120.969 -0.634 . . . . 1.82 112.592 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 31.1 t70 -75.8 -22.07 56.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.904 0.383 . . . . 2.85 110.926 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 95.46 27.96 10.15 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 121.149 -0.548 . . . . 0.82 112.613 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1138 ' ' SER . . . . . 0.444 ' HA ' ' HG2' ' A' 1141 ' ' LYS . 80.2 p -64.89 -23.25 67.17 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.141 0.422 . . . . 1.17 112.141 -175.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1139 ' ' ASP . . . . . 0.601 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 6.5 p-10 -70.5 -25.63 63.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.118 0.485 . . . . 0.33 110.568 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -90.33 -29.94 17.77 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.935 -0.575 . . . . 0.44 110.407 178.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1141 ' ' LYS . . . . . 0.444 ' HG2' ' HA ' ' A' 1138 ' ' SER . 46.2 pttt -75.54 -31.78 60.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.027 0.441 . . . . 2.08 110.11 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 6.4 t30 . . . . . 0 C--N 1.327 -0.385 0 CA-C-O 121.334 0.588 . . . . 2.44 109.416 177.007 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 84.6 m . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.312 -0.255 . . . . 0.94 110.312 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.7 tp -59.59 157.3 11.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.016 -0.538 . . . . 1.29 110.33 176.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 38.6 t70 -69.09 -24.35 64.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.05 0.452 . . . . 2.32 110.632 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 11.6 p -96.99 -1.28 45.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.098 0.475 . . . . 1.19 110.916 174.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -99.64 156.83 16.86 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 121.56 0.695 . . . . 1.21 111.525 178.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1114 ' ' TYR . . . . . 0.74 ' HH ' HD21 ' A' 1142 ' ' ASN . 75.8 t80 -106.14 151.05 25.23 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 114.723 -1.126 . . . . 0.89 108.925 177.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 22.1 m -114.33 107.53 15.7 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.064 0.459 . . . . 1.1 110.441 -177.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 82.7 m -67.28 170.46 7.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.66 -0.7 . . . . 0.65 111.845 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 7.2 t70 -58.15 -32.85 68.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.815 -0.629 . . . . 2.62 109.687 171.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 5.5 m120 -78.89 2.85 18.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.376 -0.829 . . . . 2.75 111.348 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 47.5 m80 64.4 27.2 13.62 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.189 0.519 . . . . 1.35 110.841 -174.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1120 ' ' GLN . . . . . 0.525 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 56.9 tp60 -88.15 140.42 29.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.734 -0.666 . . . . 1.99 109.458 176.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 59.9 m -103.84 103.21 13.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.371 -0.377 . . . . 0.42 111.477 -175.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 45.1 pt -107.28 -178.22 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.324 -0.398 . . . . 1.07 109.964 175.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 12.2 t -79.31 141.26 37.17 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.685 0.279 . . . . 0.63 110.337 175.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 93.6 mttt -66.05 -17.57 64.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.218 -0.446 . . . . 1.88 111.075 175.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -79.84 -17.68 52.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.056 0.455 . . . . 2.22 110.641 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 50.7 m0 -90.77 -9.11 47.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.05 -0.523 . . . . 0.67 110.778 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 71.2 t -67.48 125.27 24.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.924 -0.58 . . . . 1.06 111.159 -178.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 48.1 t 59.05 51.39 7.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.538 -0.755 . . . . 0.58 110.532 177.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -112.82 18.71 17.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.471 -0.786 . . . . 0.46 109.908 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 61.3 p 58.55 28.31 16.86 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.47 1.108 . . . . 1.34 112.626 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 33.9 t70 -143.02 145.78 33.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.833 -0.621 . . . . 1.21 109.473 171.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 44.5 t30 -90.9 112.78 24.77 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.2 0.524 . . . . 2.73 110.835 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.79 -1.65 29.44 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 115.532 -0.758 . . . . 1.28 109.994 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1134 ' ' CYS . . . . . 0.525 ' SG ' ' HB3' ' A' 1120 ' ' GLN . 11.4 t -126.91 -175.07 3.31 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.608 -0.724 . . . . 1.57 110.233 -171.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -70.61 -69.59 1.36 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.572 -0.823 . . . . 1.82 112.438 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -71.17 -31.29 67.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.014 0.435 . . . . 2.85 111.665 -178.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 87.87 26.86 28.07 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 110.909 -0.876 . . . . 0.82 110.909 -173.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1138 ' ' SER . . . . . 0.438 ' HA ' ' HG2' ' A' 1141 ' ' LYS . 64.9 p -68.76 -16.82 63.91 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.23 -0.485 . . . . 1.17 111.489 -174.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -68.93 -22.82 64.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.466 0.65 . . . . 0.33 109.939 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -95.11 -39.2 10.25 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.594 -0.73 . . . . 0.44 110.156 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1141 ' ' LYS . . . . . 0.438 ' HG2' ' HA ' ' A' 1138 ' ' SER . 14.8 pttp -68.52 -30.21 68.96 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.805 0.336 . . . . 2.08 111.328 -174.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1142 ' ' ASN . . . . . 0.74 HD21 ' HH ' ' A' 1114 ' ' TYR . 63.0 t30 . . . . . 0 C--N 1.327 -0.37 0 CA-C-O 121.472 0.653 . . . . 2.44 109.615 177.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 84.8 m . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.739 0.304 . . . . 0.94 111.297 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1110 ' ' LEU . . . . . 0.508 ' CB ' ' HB2' ' A' 1113 ' ' GLN . 5.0 tp -51.84 163.18 0.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 123.668 0.787 . . . . 1.29 111.894 -178.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -61.42 -39.98 92.74 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.974 0.416 . . . . 2.32 110.238 178.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1112 ' ' THR . . . . . 0.544 ' O ' ' HG3' ' A' 1124 ' ' LYS . 25.6 p -95.34 8.81 42.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.206 -0.452 . . . . 1.19 111.377 177.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1113 ' ' GLN . . . . . 0.508 ' HB2' ' CB ' ' A' 1110 ' ' LEU . 15.1 mt-30 -110.7 150.31 29.22 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-O 121.855 0.835 . . . . 1.21 112.066 178.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 78.7 t80 -98.74 148.1 24.21 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.075 -1.421 . . . . 0.89 109.502 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 4.6 m -109.19 100.22 9.4 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.564 -0.743 . . . . 1.1 109.47 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1116 ' ' CYS . . . . . 0.478 ' HB3' ' OG ' ' A' 1138 ' ' SER . 99.3 m -72.56 173.31 9.08 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.241 -0.436 . . . . 0.65 111.779 -177.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 19.0 t70 -58.34 -40.79 83.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.036 0.446 . . . . 2.62 110.893 -178.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -83.37 14.7 3.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.06 -0.518 . . . . 2.75 110.79 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 41.7 m80 63.67 23.01 13.36 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.546 -0.752 . . . . 1.35 111.8 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -76.41 134.67 39.54 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.469 -0.567 . . . . 1.99 109.469 175.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1121 ' ' CYS . . . . . 0.451 ' HB3' ' NE2' ' A' 1113 ' ' GLN . 96.1 m -100.98 103.87 15.02 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.117 -0.492 . . . . 0.42 110.801 -177.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 35.7 pt -116.16 166.17 10.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.787 -0.642 . . . . 1.07 109.912 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 40.3 t -69.99 140.02 52.88 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.97 -0.752 . . . . 0.63 108.97 174.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1124 ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' A' 1112 ' ' THR . 85.0 mttt -63.71 -15.22 57.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.909 0.385 . . . . 1.88 110.608 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 6.8 t30 -73.05 -21.08 60.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.831 -0.622 . . . . 2.22 110.63 177.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 35.3 m0 -86.01 -17.25 35.78 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.022 0.439 . . . . 0.67 110.327 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 92.5 t -66.34 117.5 7.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.961 -0.563 . . . . 1.06 110.625 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 41.9 t 63.69 57.37 1.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.843 0.83 . . . . 0.58 110.184 -178.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -115.88 23.95 11.86 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.281 -0.872 . . . . 0.46 109.57 175.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 35.0 p 65.86 14.76 9.75 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.615 1.166 . . . . 1.34 112.43 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 34.7 t70 -135.01 133.72 39.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.39 -0.368 . . . . 1.21 110.446 174.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -75.37 108.64 8.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.201 -0.454 . . . . 2.73 110.36 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -94.37 -44.51 7.88 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 120.937 0.399 . . . . 1.28 110.713 -177.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1134 ' ' CYS . . . . . . . . . . . . . 86.2 m -84.13 62.55 7.16 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.02 -0.536 . . . . 1.57 111.161 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 63.57 -92.74 0.11 Allowed Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.919 -0.582 . . . . 1.82 112.448 178.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.59 -24.51 62.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.07 0.462 . . . . 2.85 110.578 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 92.74 46.56 3.39 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.624 -0.798 . . . . 0.82 112.709 176.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1138 ' ' SER . . . . . 0.658 ' O ' ' HG2' ' A' 1141 ' ' LYS . 15.1 p -62.41 -20.55 64.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.946 0.403 . . . . 1.17 110.843 178.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -72.62 -17.16 61.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.273 0.559 . . . . 0.33 110.8 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -95.05 -26.17 16.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.168 -0.469 . . . . 0.44 110.506 178.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1141 ' ' LYS . . . . . 0.658 ' HG2' ' O ' ' A' 1138 ' ' SER . 19.1 pttp -71.74 -23.44 61.61 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.176 -0.465 . . . . 2.08 111.644 -172.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 3.8 p-10 . . . . . 0 C--N 1.322 -0.609 0 CA-C-O 120.882 0.372 . . . . 2.44 111.346 -176.92 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 70.2 m . . . . . 0 C--O 1.236 0.387 0 CA-C-O 120.784 0.326 . . . . 0.94 111.019 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.9 tp -71.07 173.05 8.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.005 -0.543 . . . . 1.29 110.463 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -76.14 -37.11 58.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.89 0.376 . . . . 2.32 110.413 176.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 17.6 p -91.81 6.08 47.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.021 0.438 . . . . 1.19 111.046 175.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -100.61 158.02 16.25 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 121.475 0.655 . . . . 1.21 111.327 174.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1114 ' ' TYR . . . . . 0.579 ' HH ' HD22 ' A' 1142 ' ' ASN . 78.3 t80 -113.07 148.37 35.35 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.806 -1.088 . . . . 0.89 109.451 176.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 12.8 m -102.31 107.73 18.85 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.673 -0.694 . . . . 1.1 109.768 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 61.8 m -63.73 161.02 15.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.8 -0.636 . . . . 0.65 110.857 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 29.7 t70 -59.48 -30.82 68.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.26 0.553 . . . . 2.62 109.827 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 12.8 m120 -78.56 12.71 1.89 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.382 -0.826 . . . . 2.75 111.448 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 70.8 m80 61.7 49.41 4.95 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 122.784 0.434 . . . . 1.35 110.583 -179.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -122.81 147.41 46.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.124 -0.489 . . . . 1.99 110.332 -177.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 86.0 m -102.32 105.78 16.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.923 0.392 . . . . 0.42 111.128 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 45.7 pt -115.37 174.42 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.05 -0.523 . . . . 1.07 109.812 175.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 40.3 t -78.5 141.03 38.5 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.849 0.357 . . . . 0.63 110.225 176.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 64.1 mttm -64.95 -19.29 65.88 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.136 -0.484 . . . . 1.88 111.28 178.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -79.71 -8.0 58.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.963 0.411 . . . . 2.22 111.051 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 43.9 m0 -93.34 -17.61 23.36 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.737 -0.468 . . . . 0.67 109.737 177.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 92.7 t -64.21 121.16 12.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.845 -0.616 . . . . 1.06 111.036 -177.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 63.32 43.45 6.15 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.393 -0.822 . . . . 0.58 111.255 175.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -102.54 21.72 14.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.731 -0.668 . . . . 0.46 109.642 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 76.7 p 59.22 28.9 18.35 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.566 1.146 . . . . 1.34 112.031 -177.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 37.9 t70 -142.44 130.12 21.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.873 -0.603 . . . . 1.21 110.129 175.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -76.87 103.44 6.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.719 0.295 . . . . 2.73 111.106 -177.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -88.65 -45.24 10.0 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.042 0.449 . . . . 1.28 110.084 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1134 ' ' CYS . . . . . . . . . . . . . 17.1 m -71.34 164.5 25.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.583 -0.735 . . . . 1.57 110.381 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -49.75 -51.15 29.58 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 121.412 -0.423 . . . . 1.82 113.103 -178.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -105.31 17.66 23.6 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.703 -0.293 . . . . 2.85 111.415 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 59.13 41.77 96.77 Favored Glycine 0 C--N 1.33 0.248 0 C-N-CA 121.013 -0.613 . . . . 0.82 112.446 -178.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1138 ' ' SER . . . . . 0.471 ' O ' ' HG2' ' A' 1141 ' ' LYS . 55.2 p -66.66 -25.5 66.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.96 0.41 . . . . 1.17 111.189 -177.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -70.84 -14.73 62.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.147 0.499 . . . . 0.33 110.519 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -102.76 -16.27 16.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.879 -0.601 . . . . 0.44 110.523 178.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1141 ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' 1138 ' ' SER . 17.9 pttp -85.83 -36.1 20.23 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.751 -0.38 . . . . 2.08 111.88 -172.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1142 ' ' ASN . . . . . 0.579 HD22 ' HH ' ' A' 1114 ' ' TYR . 2.3 p-10 . . . . . 0 C--N 1.325 -0.495 0 CA-C-O 121.509 0.671 . . . . 2.44 110.803 -178.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 56.4 m . . . . . 0 C--O 1.234 0.275 0 CA-C-O 121.112 0.482 . . . . 0.94 111.279 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.9 tp -61.44 160.42 11.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.86 -0.609 . . . . 1.29 110.548 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.7 -38.81 86.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.133 0.492 . . . . 2.32 109.847 174.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 13.4 p -94.13 9.24 38.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.659 -0.7 . . . . 1.19 111.487 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -103.26 157.39 17.05 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.611 0.719 . . . . 1.21 111.642 174.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1114 ' ' TYR . . . . . 0.46 ' O ' ' HA ' ' A' 1121 ' ' CYS . 90.2 t80 -111.02 154.05 24.73 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.579 -1.191 . . . . 0.89 109.749 178.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 4.6 m -106.51 101.63 11.08 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.028 -0.533 . . . . 1.1 110.024 -178.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1116 ' ' CYS . . . . . 0.43 ' HB2' ' HB3' ' A' 1120 ' ' GLN . 55.9 m -67.31 171.85 5.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.65 111.346 -178.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 27.8 t70 -51.78 -45.99 63.99 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 122.631 0.373 . . . . 2.62 111.745 -177.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -92.6 33.37 1.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.783 0.325 . . . . 2.75 111.459 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 34.0 m170 63.18 28.72 15.99 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.007 -0.542 . . . . 1.35 111.941 174.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1120 ' ' GLN . . . . . 0.43 ' HB3' ' HB2' ' A' 1116 ' ' CYS . 28.4 tp60 -87.81 125.22 34.33 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.907 -0.405 . . . . 1.99 109.907 177.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1121 ' ' CYS . . . . . 0.46 ' HA ' ' O ' ' A' 1114 ' ' TYR . 58.8 m -88.2 101.14 13.54 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.424 -0.353 . . . . 0.42 110.781 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1122 ' ' ILE . . . . . 0.402 HD13 ' SG ' ' A' 1134 ' ' CYS . 42.4 pt -103.0 172.26 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.737 -0.468 . . . . 1.07 109.737 174.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1123 ' ' SER . . . . . 0.423 ' HG ' ' HB2' ' A' 1125 ' ' ASN . 30.1 t -74.42 143.48 44.72 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.849 -0.426 . . . . 0.63 109.849 175.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 63.7 mttm -67.13 -15.34 63.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.494 -0.321 . . . . 1.88 110.79 177.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1125 ' ' ASN . . . . . 0.423 ' HB2' ' HG ' ' A' 1123 ' ' SER . 18.6 m120 -74.14 -14.04 60.91 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.097 0.475 . . . . 2.22 110.376 174.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1126 ' ' TRP . . . . . 0.477 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 47.3 m0 -97.24 -11.24 24.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.035 -0.53 . . . . 0.67 110.937 -177.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 60.9 t -73.54 118.49 18.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.37 -0.377 . . . . 1.06 111.267 -177.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1128 ' ' CYS . . . . . 0.456 ' HA ' ' OE1' ' A' 1140 ' ' GLU . 50.4 t 58.82 54.81 4.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.262 -0.881 . . . . 0.58 109.732 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -113.04 14.14 19.55 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.105 -0.952 . . . . 0.46 109.29 177.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 82.1 p 57.07 29.32 16.32 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 114.704 -1.135 . . . . 1.34 111.536 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 14.4 t70 -135.0 142.48 46.45 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.816 -0.629 . . . . 1.21 109.555 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -78.58 116.77 19.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.31 -0.404 . . . . 2.73 111.57 -174.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1133 ' ' ASP . . . . . 0.477 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.0 OUTLIER -133.66 -39.14 0.89 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.785 -0.643 . . . . 1.28 111.08 178.601 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1134 ' ' CYS . . . . . 0.655 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 88.2 m -77.09 34.76 0.16 Allowed 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.312 0.486 . . . . 1.57 112.312 177.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 73.41 -71.28 1.28 Allowed Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.841 -0.695 . . . . 1.82 112.438 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 13.8 t70 -93.08 -49.79 5.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.78 0.324 . . . . 2.85 110.192 177.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 133.94 40.9 0.17 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.712 -0.756 . . . . 0.82 112.828 175.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1138 ' ' SER . . . . . 0.428 ' O ' ' HG2' ' A' 1141 ' ' LYS . 80.0 p -66.3 -25.49 66.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.963 0.411 . . . . 1.17 111.027 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1139 ' ' ASP . . . . . 0.655 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 5.4 p-10 -68.33 -29.54 68.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.04 -0.527 . . . . 0.33 110.111 178.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1140 ' ' GLU . . . . . 0.456 ' OE1' ' HA ' ' A' 1128 ' ' CYS . 69.4 mm-40 -85.58 -36.3 20.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.733 -0.667 . . . . 0.44 110.442 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1141 ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' 1138 ' ' SER . 18.4 pttp -66.32 -32.88 74.56 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.216 -0.447 . . . . 2.08 111.742 -173.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 10.0 p30 . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 121.109 0.481 . . . . 2.44 110.398 -178.846 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 77.8 m . . . . . 0 C--O 1.236 0.383 0 CA-C-O 121.179 0.514 . . . . 0.94 111.653 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1110 ' ' LEU . . . . . 0.554 ' HB2' HE21 ' A' 1113 ' ' GLN . 4.3 tp -61.2 162.56 7.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.62 -0.718 . . . . 1.29 110.457 177.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -65.65 -25.78 67.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.238 0.542 . . . . 2.32 110.182 176.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1112 ' ' THR . . . . . 0.465 ' O ' ' HG3' ' A' 1124 ' ' LYS . 10.8 p -105.26 10.29 33.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.769 -0.65 . . . . 1.19 111.274 176.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1113 ' ' GLN . . . . . 0.554 HE21 ' HB2' ' A' 1110 ' ' LEU . 26.9 mt-30 -115.12 152.68 32.12 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-O 121.945 0.879 . . . . 1.21 112.239 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1114 ' ' TYR . . . . . 0.466 ' O ' ' HA ' ' A' 1121 ' ' CYS . 62.0 t80 -104.45 149.85 25.07 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 113.937 -1.483 . . . . 0.89 109.707 178.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 8.7 m -101.44 103.19 14.09 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.763 -0.653 . . . . 1.1 109.643 178.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 61.3 m -68.28 163.25 23.33 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.67 -0.695 . . . . 0.65 110.662 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 18.1 t70 -56.85 -37.51 71.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.116 0.484 . . . . 2.62 111.044 -177.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -81.14 17.89 1.18 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.746 -0.661 . . . . 2.75 111.262 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 64.3 m80 63.87 27.05 14.43 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.092 0.557 . . . . 1.35 111.082 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -95.63 139.71 31.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.871 -0.604 . . . . 1.99 109.943 177.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1121 ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' 1114 ' ' TYR . 68.7 m -101.11 120.02 39.6 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.96 0.409 . . . . 0.42 110.925 -179.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 47.7 pt -118.95 168.33 11.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.28 -0.637 . . . . 1.07 109.28 174.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 39.2 t -73.37 141.1 47.03 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.291 -0.633 . . . . 0.63 109.291 175.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1124 ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' 1112 ' ' THR . 51.6 mttm -65.23 -20.37 66.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.039 -0.528 . . . . 1.88 110.504 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 11.5 t30 -69.76 -20.43 63.49 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.224 0.535 . . . . 2.22 110.412 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1126 ' ' TRP . . . . . 0.485 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 34.9 m0 -87.59 -13.27 43.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.973 -0.558 . . . . 0.67 110.444 -178.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 99.3 t -67.42 123.67 21.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.763 -0.653 . . . . 1.06 111.125 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1128 ' ' CYS . . . . . 0.498 ' HA ' ' OE1' ' A' 1140 ' ' GLU . 42.0 t 60.2 55.62 3.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.312 -0.858 . . . . 0.58 110.325 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -116.53 17.63 15.32 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.235 -0.893 . . . . 0.46 109.325 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 50.4 p 58.63 22.82 10.27 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 114.664 -1.153 . . . . 1.34 112.314 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 37.8 t70 -128.18 137.62 52.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.147 -0.479 . . . . 1.21 109.941 173.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 57.8 t30 -83.64 87.53 7.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.463 0.649 . . . . 2.73 110.99 -176.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1133 ' ' ASP . . . . . 0.485 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.0 OUTLIER -95.7 -27.77 15.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.24 -0.891 . . . . 1.28 110.269 179.128 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1134 ' ' CYS . . . . . 0.675 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 8.3 m -72.8 -14.34 61.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.05 -0.523 . . . . 1.57 111.608 175.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 78.41 -49.31 3.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.63 -0.795 . . . . 1.82 111.628 -176.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 24.6 t70 -82.13 -13.47 57.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.311 0.577 . . . . 2.85 110.385 176.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 76.26 16.55 80.62 Favored Glycine 0 C--N 1.33 0.2 0 CA-C-N 115.82 -0.627 . . . . 0.82 111.98 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1138 ' ' SER . . . . . 0.529 ' O ' ' HG2' ' A' 1141 ' ' LYS . 20.1 p -69.08 -16.93 63.8 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.367 0.506 . . . . 1.17 112.367 -173.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1139 ' ' ASP . . . . . 0.675 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 5.9 p-10 -81.45 -29.62 33.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.265 0.555 . . . . 0.33 109.91 178.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1140 ' ' GLU . . . . . 0.498 ' OE1' ' HA ' ' A' 1128 ' ' CYS . 63.6 mm-40 -86.31 -30.05 22.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.719 -0.673 . . . . 0.44 109.947 -178.29 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1141 ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' 1138 ' ' SER . 20.8 pttp -61.6 -38.5 87.79 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.824 -0.625 . . . . 2.08 111.682 -174.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1142 ' ' ASN . . . . . 0.472 HD21 ' C ' ' A' 1142 ' ' ASN . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 121.069 0.461 . . . . 2.44 111.417 -174.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 57.2 m . . . . . 0 C--O 1.235 0.304 0 CA-C-O 120.981 0.42 . . . . 0.94 111.866 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 5.6 tp -50.05 158.9 0.48 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.645 0.778 . . . . 1.29 111.696 -179.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 15.0 t70 -69.31 -22.29 63.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.075 0.464 . . . . 2.32 110.444 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 12.7 p -101.71 3.22 39.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.027 -0.533 . . . . 1.19 110.807 173.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -106.36 163.21 13.02 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.478 0.656 . . . . 1.21 111.11 176.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 70.1 t80 -116.96 149.22 40.57 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.061 -0.972 . . . . 0.89 109.593 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 11.6 m -105.42 103.23 12.72 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.937 -0.574 . . . . 1.1 110.074 -177.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1116 ' ' CYS . . . . . 0.488 ' HB2' ' HB3' ' A' 1120 ' ' GLN . 38.0 m -72.31 174.88 6.69 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.582 -0.735 . . . . 0.65 111.485 -176.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -56.83 -45.85 82.07 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.077 0.399 . . . . 2.62 112.077 -174.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -88.18 25.39 1.62 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.131 0.491 . . . . 2.75 110.224 -177.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 34.2 m80 61.35 39.96 14.75 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.763 -0.653 . . . . 1.35 111.07 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1120 ' ' GLN . . . . . 0.488 ' HB3' ' HB2' ' A' 1116 ' ' CYS . 60.2 tt0 -92.4 137.84 32.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.827 -0.624 . . . . 1.99 109.466 175.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 71.4 m -101.36 103.48 14.43 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.914 0.388 . . . . 0.42 111.212 -177.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 45.1 pt -105.54 173.03 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.221 -0.659 . . . . 1.07 109.221 173.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 29.0 t -75.66 145.04 41.32 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.704 -0.48 . . . . 0.63 109.704 174.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 87.3 mttt -64.01 -18.27 64.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.758 0.313 . . . . 1.88 110.549 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -78.14 -12.81 60.02 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.261 -0.427 . . . . 2.22 110.46 177.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1126 ' ' TRP . . . . . 0.418 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 47.1 m0 -93.55 -9.96 36.45 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 116.204 -0.453 . . . . 0.67 110.479 178.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 59.9 t -74.21 126.29 34.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 116.48 -0.327 . . . . 1.06 110.951 -178.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 11.2 t 58.86 55.36 4.61 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 122.371 1.081 . . . . 0.58 109.683 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -122.62 15.21 10.26 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.743 -1.117 . . . . 0.46 109.866 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 69.9 p 58.89 30.5 20.23 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.218 1.007 . . . . 1.34 111.869 -178.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 35.6 t70 -129.08 135.65 49.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.845 -0.616 . . . . 1.21 109.606 174.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 7.8 t30 -84.71 82.42 8.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.299 0.571 . . . . 2.73 110.746 -175.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1133 ' ' ASP . . . . . 0.418 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.0 OUTLIER -98.04 -30.91 12.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.725 -0.67 . . . . 1.28 111.058 -178.448 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1134 ' ' CYS . . . . . 0.749 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 10.4 m -77.83 13.02 1.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.596 0.591 . . . . 1.57 112.596 178.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 77.2 -66.38 2.9 Favored Glycine 0 CA--C 1.517 0.174 0 C-N-CA 120.913 -0.661 . . . . 1.82 112.626 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 16.1 t70 -85.2 -21.8 28.99 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.286 0.565 . . . . 2.85 110.465 176.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 94.5 28.01 11.0 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.681 -0.771 . . . . 0.82 111.605 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1138 ' ' SER . . . . . . . . . . . . . 1.6 p -71.35 -0.75 10.86 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.836 0.31 . . . . 1.17 111.836 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1139 ' ' ASP . . . . . 0.749 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 4.3 p-10 -98.18 -21.09 16.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.445 0.641 . . . . 0.33 109.677 174.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -97.87 -23.35 15.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.55 -0.75 . . . . 0.44 110.241 -178.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1141 ' ' LYS . . . . . . . . . . . . . 53.7 pttt -62.96 -22.47 66.83 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.494 0.664 . . . . 2.08 110.687 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 17.0 p-10 . . . . . 0 C--N 1.319 -0.721 0 CA-C-N 115.174 -0.921 . . . . 2.44 109.789 178.838 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 60.9 m . . . . . 0 C--O 1.236 0.374 0 CA-C-O 121.002 0.43 . . . . 0.94 111.644 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1110 ' ' LEU . . . . . 0.405 ' CB ' ' HB2' ' A' 1113 ' ' GLN . 7.2 tp -51.7 157.88 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.442 -0.799 . . . . 1.29 111.304 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -65.9 -26.54 67.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.926 0.393 . . . . 2.32 110.691 178.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 12.5 p -98.97 -1.32 40.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.289 0.566 . . . . 1.19 110.657 175.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1113 ' ' GLN . . . . . 0.405 ' HB2' ' CB ' ' A' 1110 ' ' LEU . 72.1 mt-30 -100.49 162.11 13.15 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.493 0.663 . . . . 1.21 111.069 177.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 86.2 t80 -108.78 149.72 28.64 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 114.901 -1.045 . . . . 0.89 108.998 175.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 6.3 m -109.42 102.53 11.41 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.884 -0.598 . . . . 1.1 109.53 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 35.7 m -67.53 168.78 10.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.848 -0.615 . . . . 0.65 110.968 -177.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.22 -37.45 83.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.18 0.515 . . . . 2.62 110.396 -179.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -85.2 14.67 4.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.814 -0.63 . . . . 2.75 110.609 178.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 43.2 m80 66.73 26.73 9.48 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.677 -0.692 . . . . 1.35 111.99 175.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -78.85 141.53 37.62 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.472 -0.566 . . . . 1.99 109.472 173.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 73.1 m -105.94 102.17 11.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.945 0.403 . . . . 0.42 111.199 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 50.6 pt -112.31 178.72 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.129 -0.487 . . . . 1.07 109.906 176.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1123 ' ' SER . . . . . 0.408 ' HG ' ' HB2' ' A' 1125 ' ' ASN . 28.0 t -75.47 146.32 40.74 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.096 -0.335 . . . . 0.63 110.096 175.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 65.0 mttm -66.64 -23.87 66.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.441 -0.345 . . . . 1.88 110.621 175.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1125 ' ' ASN . . . . . 0.408 ' HB2' ' HG ' ' A' 1123 ' ' SER . 13.6 m120 -71.86 -18.22 62.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 2.22 110.681 178.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 45.1 m0 -87.57 -12.33 46.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.078 -0.51 . . . . 0.67 110.831 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 59.6 t -68.7 117.47 11.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.399 -0.364 . . . . 1.06 110.9 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1128 ' ' CYS . . . . . 0.449 ' HA ' ' OE1' ' A' 1140 ' ' GLU . 49.6 t 61.3 50.19 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.5 -0.773 . . . . 0.58 110.515 178.417 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -108.34 24.22 13.35 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.617 -0.72 . . . . 0.46 109.224 177.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 39.9 p 54.92 34.86 23.14 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.606 -1.179 . . . . 1.34 112.064 -179.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 13.5 t70 -146.19 129.83 17.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.855 -0.611 . . . . 1.21 109.717 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 26.9 t30 -71.25 117.45 12.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.708 0.29 . . . . 2.73 111.576 -175.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -119.15 -26.18 5.99 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.898 0.333 . . . . 1.28 111.898 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1134 ' ' CYS . . . . . 0.644 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 84.0 m -87.25 16.86 4.78 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.16 0.429 . . . . 1.57 112.16 -177.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 80.84 -64.37 4.12 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.56 -0.828 . . . . 1.82 111.834 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -79.18 -38.45 35.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.215 0.531 . . . . 2.85 110.232 174.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 112.07 27.87 3.82 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.638 -0.71 . . . . 0.82 112.792 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1138 ' ' SER . . . . . 0.428 ' HA ' ' HG2' ' A' 1141 ' ' LYS . 76.8 p -65.24 -22.29 66.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.739 0.304 . . . . 1.17 111.561 -177.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1139 ' ' ASP . . . . . 0.644 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 8.2 p-10 -75.1 -24.92 58.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.127 0.489 . . . . 0.33 110.354 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1140 ' ' GLU . . . . . 0.449 ' OE1' ' HA ' ' A' 1128 ' ' CYS . 80.7 mm-40 -90.53 -26.36 19.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.954 -0.566 . . . . 0.44 110.209 177.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1141 ' ' LYS . . . . . 0.428 ' HG2' ' HA ' ' A' 1138 ' ' SER . 15.4 pttp -78.47 -38.44 41.03 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.423 -0.353 . . . . 2.08 110.369 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 63.4 t30 . . . . . 0 C--N 1.33 -0.24 0 CA-C-O 121.727 0.775 . . . . 2.44 109.654 -179.048 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.94 110.785 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1110 ' ' LEU . . . . . 0.579 ' HB2' HE21 ' A' 1113 ' ' GLN . 8.8 tp -67.33 167.06 13.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.928 -0.578 . . . . 1.29 110.575 -179.116 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -69.22 -38.85 78.75 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.668 -0.493 . . . . 2.32 109.668 176.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 10.4 p -86.02 -4.49 59.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.877 -0.602 . . . . 1.19 111.359 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1113 ' ' GLN . . . . . 0.579 HE21 ' HB2' ' A' 1110 ' ' LEU . 24.4 mt-30 -92.62 158.02 16.18 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.549 0.69 . . . . 1.21 111.325 177.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 74.0 t80 -110.07 148.66 31.3 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.817 -1.083 . . . . 0.89 109.616 178.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 7.2 m -104.18 113.34 26.82 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.65 -0.705 . . . . 1.1 110.195 -178.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1116 ' ' CYS . . . . . 0.545 ' SG ' ' HB3' ' A' 1120 ' ' GLN . 88.2 m -59.84 152.12 23.98 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.875 -0.602 . . . . 0.65 110.541 174.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 36.4 t70 -66.82 -15.13 63.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.392 0.615 . . . . 2.62 110.197 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -100.42 16.55 24.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.559 -0.746 . . . . 2.75 110.189 176.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 41.7 m170 61.13 77.53 0.32 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.221 -0.9 . . . . 1.35 111.35 -178.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1120 ' ' GLN . . . . . 0.545 ' HB3' ' SG ' ' A' 1116 ' ' CYS . 52.5 tt0 -145.18 144.2 30.73 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.109 -0.7 . . . . 1.99 109.109 176.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 66.8 m -100.72 109.12 21.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.046 0.45 . . . . 0.42 111.598 -175.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 40.5 pt -119.74 -179.13 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.081 -0.711 . . . . 1.07 109.081 172.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 36.5 t -84.94 144.02 28.61 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.881 -0.328 . . . . 0.63 110.346 177.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 66.5 mttm -65.24 -19.79 66.13 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.069 0.462 . . . . 1.88 110.594 176.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -79.35 -7.03 58.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.956 -0.565 . . . . 2.22 110.558 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 52.9 m0 -101.0 -7.62 23.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.926 -0.579 . . . . 0.67 110.561 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 92.2 t -67.39 117.56 9.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.965 -0.561 . . . . 1.06 111.317 -178.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 37.6 t 66.33 44.07 2.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.575 -0.739 . . . . 0.58 111.013 176.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -106.78 21.52 17.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.63 -0.714 . . . . 0.46 109.65 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 68.6 p 58.44 33.65 23.3 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.3 1.04 . . . . 1.34 111.875 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 12.3 t70 -141.62 138.43 32.56 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.128 -0.487 . . . . 1.21 110.473 175.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -86.95 73.14 9.98 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.871 0.367 . . . . 2.73 110.827 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -62.39 -21.49 65.4 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.406 0.622 . . . . 1.28 110.838 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1134 ' ' CYS . . . . . . . . . . . . . 14.1 t -100.31 6.28 44.58 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.346 -0.843 . . . . 1.57 110.963 -173.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 74.14 -73.25 1.32 Allowed Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 110.102 -1.199 . . . . 1.82 110.102 -170.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 22.6 t0 -90.95 88.59 7.09 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.854 -1.165 . . . . 2.85 107.854 167.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -68.29 80.09 0.21 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.378 -0.828 . . . . 0.82 114.245 -171.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1138 ' ' SER . . . . . . . . . . . . . 57.0 p -68.05 -18.58 64.72 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.271 -0.64 . . . . 1.17 109.271 171.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -72.59 -21.37 61.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.308 -0.86 . . . . 0.33 110.294 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -92.17 -35.27 13.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.009 -0.541 . . . . 0.44 109.918 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1141 ' ' LYS . . . . . . . . . . . . . 13.7 pttp -72.17 -29.55 64.13 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.974 -0.557 . . . . 2.08 110.502 -178.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 26.7 t-20 . . . . . 0 C--N 1.324 -0.538 0 CA-C-O 121.673 0.749 . . . . 2.44 109.306 178.442 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 86.4 m . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.646 0.26 . . . . 0.94 110.591 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 11.6 tp -63.74 168.9 4.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.832 0.349 . . . . 1.29 111.583 -177.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -61.58 -43.98 97.86 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.123 -0.49 . . . . 2.32 110.023 175.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 23.7 p -100.41 14.84 29.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 1.19 111.794 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -100.04 161.37 13.65 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.598 0.713 . . . . 1.21 111.704 174.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 80.0 t80 -110.99 150.06 29.81 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.588 -1.187 . . . . 0.89 109.099 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 17.0 m -104.13 112.15 25.04 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.165 -0.47 . . . . 1.1 109.853 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1116 ' ' CYS . . . . . 0.445 ' HB2' ' HB3' ' A' 1120 ' ' GLN . 80.7 m -73.35 -179.63 3.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.022 -0.536 . . . . 0.65 112.107 -177.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -60.31 -38.98 85.38 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.969 -0.559 . . . . 2.62 111.801 -175.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -103.44 33.1 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.665 0.246 . . . . 2.75 111.665 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 50.1 m80 63.93 28.31 14.48 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.182 -0.463 . . . . 1.35 111.981 177.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1120 ' ' GLN . . . . . 0.445 ' HB3' ' HB2' ' A' 1116 ' ' CYS . 6.5 tp-100 -82.32 137.1 34.89 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.126 -0.694 . . . . 1.99 109.126 174.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 73.0 m -99.09 108.88 21.63 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.162 0.506 . . . . 0.42 111.258 -177.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 41.1 pt -113.58 170.23 4.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.097 -0.705 . . . . 1.07 109.097 174.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 32.0 t -79.15 144.63 34.3 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 110.146 -0.316 . . . . 0.63 110.146 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 60.6 mttm -64.15 -16.61 62.23 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.205 -0.452 . . . . 1.88 110.742 176.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -73.68 -19.71 60.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.099 0.476 . . . . 2.22 110.173 177.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 44.5 m0 -88.19 -13.07 42.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.945 -0.57 . . . . 0.67 110.417 -178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 98.9 t -67.26 120.17 14.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.845 -0.616 . . . . 1.06 110.401 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1128 ' ' CYS . . . . . 0.456 ' HA ' ' OE1' ' A' 1140 ' ' GLU . 53.7 t 62.49 57.07 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.792 0.806 . . . . 0.58 110.44 -178.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -118.99 17.56 13.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.274 -0.875 . . . . 0.46 109.392 175.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 70.0 p 58.0 41.59 24.04 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 114.937 -1.029 . . . . 1.34 111.66 -178.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 12.9 t70 -146.46 140.32 26.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.594 -0.73 . . . . 1.21 109.714 173.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -84.1 81.27 8.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.083 0.468 . . . . 2.73 111.09 -176.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -76.99 -35.29 57.28 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.065 -0.717 . . . . 1.28 109.065 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1134 ' ' CYS . . . . . 0.43 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 81.6 m -92.82 162.85 13.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.081 -0.963 . . . . 1.57 109.797 174.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -62.28 119.21 16.91 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.796 -0.716 . . . . 1.82 111.58 177.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 36.6 t70 70.41 0.06 3.07 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.362 0.665 . . . . 2.85 111.013 -177.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 79.21 50.67 5.68 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 121.016 -0.611 . . . . 0.82 112.79 176.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1138 ' ' SER . . . . . 0.479 ' O ' ' HG2' ' A' 1141 ' ' LYS . 71.3 p -64.99 -20.93 66.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.003 0.43 . . . . 1.17 110.359 177.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1139 ' ' ASP . . . . . 0.43 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 7.0 p-10 -78.24 -19.79 53.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.33 110.639 177.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1140 ' ' GLU . . . . . 0.456 ' OE1' ' HA ' ' A' 1128 ' ' CYS . 74.3 mm-40 -94.73 -31.88 13.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.944 0.402 . . . . 0.44 110.439 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1141 ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' 1138 ' ' SER . 19.7 pttp -60.45 -28.44 68.3 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.972 -0.558 . . . . 2.08 112.117 -172.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 10.2 p30 . . . . . 0 C--N 1.325 -0.493 0 CA-C-O 121.142 0.496 . . . . 2.44 110.775 -178.033 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 25.7 m . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 120.871 0.367 . . . . 12.55 110.487 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 63.8 m80 -85.83 146.52 26.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.179 -0.464 . . . . 11.83 110.352 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -95.16 119.77 65.19 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.433 -0.349 . . . . 8.79 110.263 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -72.33 123.66 9.33 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.531 2.154 . . . . 6.8 111.672 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -78.34 167.77 20.83 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.296 -0.411 . . . . 5.29 110.636 -178.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 5.6 p -66.26 157.32 31.84 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.452 -0.34 . . . . 3.32 110.68 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 73.9 m 61.73 -163.93 0.25 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.332 -0.395 . . . . 0.94 111.174 -175.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 9.9 tp -72.87 168.25 19.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.278 -0.419 . . . . 1.29 110.652 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.91 -41.67 95.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.431 0.634 . . . . 2.32 109.97 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 6.3 p -90.16 -0.18 57.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.521 -0.763 . . . . 1.19 111.585 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1113 ' ' GLN . . . . . 0.429 ' O ' ' HE3' ' A' 1124 ' ' LYS . 76.7 mt-30 -97.59 153.01 18.46 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 121.722 0.773 . . . . 1.21 111.742 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 79.4 t80 -103.07 148.66 25.45 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.381 -1.281 . . . . 0.89 108.885 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 5.1 m -106.94 103.01 12.33 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 116.007 -0.542 . . . . 1.1 109.589 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1116 ' ' CYS . . . . . 0.421 ' HB3' ' OG ' ' A' 1138 ' ' SER . 32.3 m -65.79 169.92 5.92 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.622 -0.717 . . . . 0.65 111.102 -178.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 28.9 t70 -65.39 -30.84 71.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.324 0.583 . . . . 2.62 109.673 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -81.28 8.88 8.0 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.27 -0.877 . . . . 2.75 110.497 177.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 51.4 m80 68.39 20.05 8.71 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.763 -0.653 . . . . 1.35 111.707 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -78.82 146.28 33.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.177 -0.465 . . . . 1.99 110.139 177.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 85.3 m -107.86 99.93 9.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.932 0.396 . . . . 0.42 110.533 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 46.8 pt -113.13 174.63 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.271 -0.422 . . . . 1.07 110.297 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 23.4 t -71.59 141.55 50.01 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.937 0.399 . . . . 0.63 110.377 174.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1124 ' ' LYS . . . . . 0.429 ' HE3' ' O ' ' A' 1113 ' ' GLN . 97.9 mttt -67.51 -13.69 62.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 1.88 110.936 176.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 17.4 m120 -83.01 -9.95 59.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.96 0.41 . . . . 2.22 110.63 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 48.7 m0 -93.56 -14.32 26.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.144 -0.48 . . . . 0.67 110.468 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 69.6 t -65.76 119.17 10.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.969 -0.559 . . . . 1.06 111.052 -177.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1128 ' ' CYS . . . . . 0.452 ' HB2' ' HB2' ' A' 1143 ' ' CYS . 49.2 t 62.19 51.63 3.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.606 -0.725 . . . . 0.58 110.577 178.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -110.99 25.51 11.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.665 -0.698 . . . . 0.46 109.703 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 64.8 p 60.7 24.55 14.37 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.64 1.176 . . . . 1.34 112.515 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 26.7 t70 -147.6 119.12 7.93 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.763 -0.458 . . . . 1.21 109.763 173.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -64.99 120.59 12.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.103 0.477 . . . . 2.73 111.066 -177.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -102.2 -30.03 11.36 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.147 0.499 . . . . 1.28 110.515 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1134 ' ' CYS . . . . . 0.545 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 21.0 m -81.77 0.78 37.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.78 -0.645 . . . . 1.57 111.045 -178.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 82.48 -58.13 4.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.957 -0.64 . . . . 1.82 111.664 -176.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -73.5 -16.34 61.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.354 0.597 . . . . 2.85 110.094 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 80.89 23.11 60.18 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.44 -0.8 . . . . 0.82 112.465 176.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1138 ' ' SER . . . . . 0.462 ' O ' ' HG2' ' A' 1141 ' ' LYS . 4.9 p -66.31 -26.01 67.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.72 0.295 . . . . 1.17 111.402 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1139 ' ' ASP . . . . . 0.545 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 6.0 p-10 -72.46 -22.28 61.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.187 0.518 . . . . 0.33 110.175 176.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -92.02 -30.56 15.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.136 -0.483 . . . . 0.44 110.373 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1141 ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' 1138 ' ' SER . 17.3 pttp -71.42 -30.18 65.76 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.991 0.424 . . . . 2.08 110.544 -178.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 39.9 t30 -88.45 75.93 8.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.392 0.615 . . . . 2.44 109.441 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1143 ' ' CYS . . . . . 0.452 ' HB2' ' HB2' ' A' 1128 ' ' CYS . 49.1 t -169.76 147.09 3.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.374 -0.83 . . . . 1.67 109.237 -176.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -117.08 85.74 2.38 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.634 0.731 . . . . 5.3 111.541 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 2.8 p -150.6 147.67 27.7 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.894 -0.594 . . . . 6.23 110.296 175.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 20.5 p -91.52 45.61 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.924 0.392 . . . . 8.4 111.389 -178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -13.82 60.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.12 0.486 . . . . 9.87 110.633 -178.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 CA--C 1.533 0.327 0 CA-C-N 114.933 -1.03 . . . . 11.53 110.789 -178.416 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 19.0 p . . . . . 0 N--CA 1.476 0.856 0 CA-C-O 120.411 0.148 . . . . 12.55 110.65 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 48.9 t-80 64.15 76.7 0.34 Allowed 'General case' 0 N--CA 1.462 0.166 0 O-C-N 123.667 0.605 . . . . 11.83 110.795 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -64.44 133.2 95.6 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.916 -0.584 . . . . 8.79 110.013 176.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -61.58 120.66 8.41 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.561 2.174 . . . . 6.8 112.065 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -89.41 53.77 2.72 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.681 -0.69 . . . . 5.29 110.413 -177.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 4.8 p -79.0 147.48 32.87 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.764 -0.653 . . . . 3.32 110.633 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 63.7 m 60.55 -168.48 0.17 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.008 -0.542 . . . . 0.94 110.973 -176.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.0 tp -69.76 164.24 23.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.346 -0.388 . . . . 1.29 110.64 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 17.3 t70 -61.42 -41.96 97.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.011 0.434 . . . . 2.32 110.388 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 22.9 p -94.84 8.18 43.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.127 -0.488 . . . . 1.19 111.64 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -100.97 156.07 17.6 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.508 0.67 . . . . 1.21 111.704 175.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 74.1 t80 -101.21 149.13 24.31 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.754 -1.112 . . . . 0.89 109.643 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 5.7 m -108.31 103.77 13.01 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.596 -0.729 . . . . 1.1 109.497 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 33.8 m -64.32 170.03 4.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.104 -0.498 . . . . 0.65 112.22 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 30.2 t70 -57.76 -44.35 86.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.226 0.536 . . . . 2.62 109.994 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 57.7 t30 -83.82 19.26 1.74 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.611 0.72 . . . . 2.75 110.464 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 52.8 m80 62.61 24.05 14.31 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.464 -0.789 . . . . 1.35 112.609 174.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -78.91 122.19 25.81 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.721 -0.474 . . . . 1.99 109.721 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 74.4 m -84.08 123.55 30.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.251 -0.432 . . . . 0.42 110.744 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 44.6 pt -135.83 174.03 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.916 -0.583 . . . . 1.07 109.448 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 28.7 t -70.2 138.6 51.9 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 110.025 -0.361 . . . . 0.63 110.025 175.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.61 -23.13 67.25 Favored 'General case' 0 N--CA 1.461 0.1 0 CA-C-O 121.075 0.464 . . . . 1.88 110.341 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -78.64 -8.69 58.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.879 -0.6 . . . . 2.22 110.097 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1126 ' ' TRP . . . . . 0.404 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 44.5 m0 -99.15 -2.73 36.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.801 -0.636 . . . . 0.67 110.764 179.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 86.2 t -73.13 123.44 28.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 116.293 -0.412 . . . . 1.06 110.934 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 4.6 t 62.72 49.26 3.85 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.493 -0.776 . . . . 0.58 110.379 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -117.32 16.41 14.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.83 -0.623 . . . . 0.46 110.581 -176.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 53.6 p 60.62 29.31 18.92 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.425 1.09 . . . . 1.34 112.184 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 16.1 t70 -130.5 138.32 50.19 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 109.83 -0.433 . . . . 1.21 109.83 171.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -84.48 48.54 1.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.213 0.449 . . . . 2.73 112.213 -178.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1133 ' ' ASP . . . . . 0.404 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.1 OUTLIER -51.46 -43.32 62.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.413 0.625 . . . . 1.28 110.128 169.027 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1134 ' ' CYS . . . . . . . . . . . . . 53.8 t -64.53 -14.95 59.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.773 -1.103 . . . . 1.57 111.911 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 78.36 -65.34 3.38 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.957 -0.639 . . . . 1.82 112.063 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -77.62 -16.29 58.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.359 0.599 . . . . 2.85 110.171 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 76.3 27.34 61.94 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.294 -0.866 . . . . 0.82 113.575 174.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1138 ' ' SER . . . . . . . . . . . . . 51.0 p -74.57 -19.83 60.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.236 0.518 . . . . 1.17 110.874 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -72.13 -28.7 63.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.377 0.608 . . . . 0.33 109.535 177.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -86.41 -17.83 33.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.392 -0.822 . . . . 0.44 110.626 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1141 ' ' LYS . . . . . . . . . . . . . 15.9 pttp -93.73 -30.3 14.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.039 0.447 . . . . 2.08 110.808 -176.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 5.7 t30 -114.26 74.16 0.86 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.029 -0.532 . . . . 2.44 110.106 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 26.8 p -141.79 -63.79 0.44 Allowed 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.862 -0.608 . . . . 1.67 110.384 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -157.35 15.98 0.26 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.662 0.744 . . . . 5.3 109.242 172.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 7.4 p -105.79 154.3 20.7 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.02 -0.991 . . . . 6.23 111.169 -173.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.59 92.41 8.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.049 0.452 . . . . 8.4 110.339 175.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -66.62 -36.6 82.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.835 -0.62 . . . . 9.87 110.292 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 47.5 m . . . . . 0 CA--C 1.532 0.285 0 O-C-N 123.812 0.695 . . . . 11.53 112.006 -178.362 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 31.6 m . . . . . 0 N--CA 1.476 0.826 0 CA-C-O 120.862 0.363 . . . . 12.55 110.519 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 42.4 m80 -84.0 -15.28 48.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 11.83 110.954 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -80.99 119.6 76.46 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.325 -0.398 . . . . 8.79 110.327 177.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -81.43 147.7 16.02 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.525 2.15 . . . . 6.8 112.032 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -88.94 59.45 5.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.045 0.45 . . . . 5.29 110.886 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 8.2 p -88.03 140.48 29.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.157 -0.474 . . . . 3.32 110.189 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 45.9 m -102.6 176.95 5.0 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.117 0.484 . . . . 0.94 111.37 -175.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 5.6 tp -67.04 166.16 14.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.514 -0.766 . . . . 1.29 110.329 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.64 -37.56 85.09 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.054 0.454 . . . . 2.32 110.246 177.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 31.6 p -91.58 3.7 54.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 1.19 111.264 177.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -98.44 152.47 19.48 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-O 121.733 0.778 . . . . 1.21 111.83 177.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 77.5 t80 -101.52 149.42 24.1 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.317 -1.311 . . . . 0.89 108.967 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 20.7 m -112.34 104.73 12.9 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 116.33 -0.395 . . . . 1.1 110.186 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 99.2 m -60.91 161.52 8.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.868 -0.606 . . . . 0.65 111.115 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 26.1 t70 -55.56 -47.97 75.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.701 0.286 . . . . 2.62 110.741 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -79.16 25.56 0.29 Allowed 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 111.974 0.361 . . . . 2.75 111.974 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 29.0 m80 58.66 63.56 1.65 Allowed 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.465 0.543 . . . . 1.35 112.465 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1120 ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' 1134 ' ' CYS . 45.0 tt0 -119.7 140.26 50.96 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.243 -0.651 . . . . 1.99 109.243 174.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 66.9 m -106.34 111.06 23.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.172 0.51 . . . . 0.42 111.376 -176.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 48.1 pt -123.72 179.54 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.618 -0.719 . . . . 1.07 109.242 175.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1123 ' ' SER . . . . . 0.425 ' HB3' ' CG ' ' A' 1126 ' ' TRP . 27.4 t -74.93 142.84 43.94 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.711 -0.396 . . . . 0.63 110.014 175.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 93.4 mttt -66.65 -18.41 65.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.914 0.388 . . . . 1.88 111.109 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 64.5 t30 -78.69 -14.4 59.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.338 0.589 . . . . 2.22 110.113 176.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1126 ' ' TRP . . . . . 0.594 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 44.9 m0 -89.99 -3.29 58.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.997 -0.547 . . . . 0.67 111.096 -175.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 62.1 t -71.7 120.28 19.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.813 -0.63 . . . . 1.06 110.748 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 42.5 t 59.93 50.31 6.93 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.508 0.671 . . . . 0.58 110.166 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -113.77 11.49 18.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.871 -0.604 . . . . 0.46 110.43 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 76.7 p 60.16 23.22 12.52 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.023 0.929 . . . . 1.34 112.203 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -120.99 140.88 51.29 Favored 'General case' 0 C--O 1.244 0.795 0 N-CA-C 110.115 -0.328 . . . . 1.21 110.115 175.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -83.23 62.64 6.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.559 0.695 . . . . 2.73 110.842 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1133 ' ' ASP . . . . . 0.594 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.1 OUTLIER -71.07 -58.6 3.4 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.405 -0.816 . . . . 1.28 108.971 170.629 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1134 ' ' CYS . . . . . 0.452 ' HA ' ' NE2' ' A' 1120 ' ' GLN . 44.8 t -80.81 120.3 24.49 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.242 -0.89 . . . . 1.57 110.222 176.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -74.67 -21.33 78.82 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 111.375 -0.69 . . . . 1.82 111.375 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1136 ' ' ASP . . . . . 0.432 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 14.4 t70 -75.3 -26.69 58.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.307 0.575 . . . . 2.85 110.019 175.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 73.07 14.13 79.03 Favored Glycine 0 C--N 1.33 0.246 0 CA-C-N 115.435 -0.802 . . . . 0.82 113.634 172.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1138 ' ' SER . . . . . . . . . . . . . 5.3 p -79.48 -15.29 58.02 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.968 0.384 . . . . 1.17 111.007 -178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1139 ' ' ASP . . . . . 0.402 ' OD1' ' HB3' ' A' 1134 ' ' CYS . 4.8 p-10 -73.52 -35.47 65.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.3 0.571 . . . . 0.33 109.608 176.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -79.72 -30.25 40.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.803 -0.635 . . . . 0.44 110.069 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1141 ' ' LYS . . . . . . . . . . . . . 14.0 pttp -75.96 -29.36 58.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.023 0.44 . . . . 2.08 110.091 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -78.44 55.62 1.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.728 0.775 . . . . 2.44 109.93 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 7.6 t -140.66 10.12 2.23 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.484 -0.78 . . . . 1.67 109.681 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -92.14 5.75 49.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.551 -0.75 . . . . 5.3 110.002 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 6.2 p -77.02 150.73 35.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.566 -0.743 . . . . 6.23 110.521 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 19.1 p -88.63 34.6 0.76 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.086 0.469 . . . . 8.4 111.721 -177.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -85.38 1.88 46.68 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.056 -0.52 . . . . 9.87 110.223 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.235 0.333 0 CA-C-N 115.782 -0.645 . . . . 11.53 111.079 179.274 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 109.915 -0.402 . . . . 12.55 109.915 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 28.5 m170 -73.81 96.22 2.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.112 0.482 . . . . 11.83 110.964 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -85.94 127.23 63.01 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.502 -0.772 . . . . 8.79 109.681 177.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -51.94 147.6 25.49 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.999 2.466 . . . . 6.8 112.411 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -77.39 57.71 1.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.156 0.503 . . . . 5.29 110.804 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 12.5 p -77.03 160.63 28.95 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.526 -0.761 . . . . 3.32 110.583 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 79.6 m -106.12 -171.2 1.86 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.85 -0.614 . . . . 0.94 110.781 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.2 tp -51.92 160.69 0.67 Allowed 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 123.449 0.7 . . . . 1.29 111.939 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 26.4 t70 -60.02 -37.67 80.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.17 0.509 . . . . 2.32 110.535 176.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 11.1 p -92.85 -0.86 57.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.947 -0.569 . . . . 1.19 111.416 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -100.14 159.3 15.21 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 121.658 0.742 . . . . 1.21 111.957 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 76.0 t80 -105.93 147.6 28.6 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.565 -1.198 . . . . 0.89 108.979 175.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 5.9 m -105.67 97.95 7.71 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 108.848 -0.797 . . . . 1.1 108.848 177.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 31.5 m -59.61 161.72 5.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.873 -0.603 . . . . 0.65 111.022 -176.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 22.0 t70 -57.15 -28.01 62.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.375 0.607 . . . . 2.62 110.638 178.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 4.3 m120 -89.85 18.2 5.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.444 -0.798 . . . . 2.75 110.996 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 33.6 m80 56.1 51.54 11.74 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.204 0.526 . . . . 1.35 110.747 -176.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -116.74 143.48 45.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.986 -0.552 . . . . 1.99 109.55 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 72.1 m -101.94 108.35 19.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.968 0.413 . . . . 0.42 111.504 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 42.9 pt -120.91 174.92 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.693 -0.685 . . . . 1.07 109.754 175.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 28.2 t -76.43 144.58 39.88 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.745 -0.465 . . . . 0.63 109.745 174.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 94.9 mttt -65.23 -21.17 66.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.488 -0.323 . . . . 1.88 110.803 177.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 17.9 m120 -78.31 -10.99 59.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.033 0.444 . . . . 2.22 110.501 176.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1126 ' ' TRP . . . . . 0.493 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 43.8 m0 -91.38 -12.67 34.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.017 -0.538 . . . . 0.67 110.097 178.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 59.1 t -71.09 122.32 22.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 116.226 -0.443 . . . . 1.06 111.193 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 35.4 t 64.07 49.45 2.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.614 0.721 . . . . 0.58 110.042 176.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -116.79 16.65 15.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.321 -0.854 . . . . 0.46 110.321 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 82.0 p 59.87 28.49 17.99 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.621 1.169 . . . . 1.34 112.418 -177.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -128.38 136.76 51.36 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.154 -0.475 . . . . 1.21 109.891 173.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -84.48 57.72 4.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.332 0.587 . . . . 2.73 111.569 -176.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1133 ' ' ASP . . . . . 0.493 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.1 OUTLIER -62.95 -36.33 83.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.674 -0.694 . . . . 1.28 110.871 175.824 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1134 ' ' CYS . . . . . 0.652 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 94.7 m -75.29 4.84 6.4 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.698 0.258 . . . . 1.57 111.698 175.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 78.76 -69.23 2.9 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.858 -0.687 . . . . 1.82 111.758 -177.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 5.6 t70 -68.44 -24.82 64.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.568 0.699 . . . . 2.85 110.399 174.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 80.32 32.64 34.27 Favored Glycine 0 N--CA 1.443 -0.889 0 N-CA-C 110.592 -1.003 . . . . 0.82 110.592 -173.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1138 ' ' SER . . . . . 0.455 ' HA ' ' HG2' ' A' 1141 ' ' LYS . 3.5 p -67.97 -24.58 65.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.87 0.367 . . . . 1.17 111.269 -178.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1139 ' ' ASP . . . . . 0.652 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 6.2 p-10 -67.15 -28.27 67.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.56 0.695 . . . . 0.33 109.304 173.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -82.66 -38.6 23.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.068 -0.969 . . . . 0.44 110.277 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1141 ' ' LYS . . . . . 0.455 ' HG2' ' HA ' ' A' 1138 ' ' SER . 41.6 pttt -75.23 -27.29 59.46 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.968 -0.56 . . . . 2.08 110.542 -177.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -93.39 53.8 1.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.628 0.728 . . . . 2.44 109.437 176.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 44.2 t -138.36 72.35 1.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.435 -0.802 . . . . 1.67 110.224 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1144 ' ' ASN . . . . . 0.439 ' C ' ' HG ' ' A' 1145 ' ' SER . 9.5 p30 50.45 -175.87 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.562 1.145 . . . . 5.3 113.279 177.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1145 ' ' SER . . . . . 0.439 ' HG ' ' C ' ' A' 1144 ' ' ASN . 88.1 p 53.43 -166.6 0.07 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.009 0.924 . . . . 6.23 112.291 177.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 11.1 p -89.93 42.76 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.374 -0.376 . . . . 8.4 111.266 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -72.12 -20.67 61.59 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 121.373 0.606 . . . . 9.87 109.833 175.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.446 -0.643 0 CA-C-N 115.384 -0.826 . . . . 11.53 109.194 170.919 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 N--CA 1.478 0.925 0 N-CA-C 110.209 -0.293 . . . . 12.55 110.209 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -123.91 75.19 1.34 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.265 0.555 . . . . 11.83 109.833 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -100.54 129.95 26.68 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.718 -0.674 . . . . 8.79 110.174 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.41 153.68 50.37 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.366 2.044 . . . . 6.8 111.743 177.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -80.31 39.63 0.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.202 0.525 . . . . 5.29 111.527 -176.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 13.4 p -86.19 124.09 32.2 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.92 -0.582 . . . . 3.32 110.116 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 85.6 m -78.47 -177.2 5.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.186 -0.461 . . . . 0.94 110.828 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 9.2 tp -58.66 162.94 3.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.162 -0.472 . . . . 1.29 110.423 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.55 -47.98 83.78 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.549 -0.46 . . . . 2.32 110.008 176.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 22.2 p -82.29 -3.2 54.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.821 -0.627 . . . . 1.19 111.616 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -91.39 152.7 20.3 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.547 0.689 . . . . 1.21 111.6 177.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 87.3 t80 -101.92 148.01 25.84 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.577 -1.192 . . . . 0.89 108.962 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 7.2 m -111.32 104.94 13.46 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 116.019 -0.537 . . . . 1.1 109.727 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1116 ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' A' 1120 ' ' GLN . 71.9 m -59.8 160.3 7.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.139 -0.482 . . . . 0.65 111.415 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -56.4 -44.39 80.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.86 0.362 . . . . 2.62 110.524 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -83.15 16.2 2.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 2.75 111.511 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 58.6 m80 66.72 83.79 0.16 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.287 0.635 . . . . 1.35 112.031 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1120 ' ' GLN . . . . . 0.463 ' HB3' ' SG ' ' A' 1116 ' ' CYS . 59.2 tp60 -142.6 131.28 22.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.493 -0.776 . . . . 1.99 108.936 175.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 62.6 m -94.78 111.48 23.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.937 0.399 . . . . 0.42 111.262 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 44.8 pt -124.27 -176.94 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.135 -0.691 . . . . 1.07 109.135 173.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 29.6 t -78.75 143.46 36.13 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.8 0.333 . . . . 0.63 110.342 175.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 95.8 mttt -67.43 -16.04 64.01 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.885 0.374 . . . . 1.88 110.383 174.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 65.3 t30 -76.75 -17.5 59.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.411 0.624 . . . . 2.22 109.55 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 43.4 m0 -89.24 -7.8 54.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.547 -0.751 . . . . 0.67 110.653 -178.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1127 ' ' VAL . . . . . 0.419 ' HA ' ' HB2' ' A' 1139 ' ' ASP . 90.2 t -70.67 111.4 4.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 116.047 -0.524 . . . . 1.06 110.676 178.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 48.5 t 64.85 47.07 2.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.698 0.761 . . . . 0.58 109.941 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -109.43 18.65 20.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.576 -0.738 . . . . 0.46 110.481 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 68.5 p 52.9 42.15 32.02 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 123.669 0.788 . . . . 1.34 111.352 -177.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 12.3 t70 -139.27 147.35 41.56 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 116.054 -0.521 . . . . 1.21 109.775 175.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -86.31 36.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.725 0.641 . . . . 2.73 112.698 -171.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1133 ' ' ASP . . . . . 0.509 ' O ' ' HB3' ' A' 1134 ' ' CYS . 0.7 OUTLIER -62.7 169.54 3.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.597 -0.52 . . . . 1.28 109.597 169.122 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1134 ' ' CYS . . . . . 0.509 ' HB3' ' O ' ' A' 1133 ' ' ASP . 42.2 t 73.26 154.2 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.684 0.615 . . . . 1.57 110.16 -176.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -95.49 30.4 8.34 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.548 -0.834 . . . . 1.82 112.167 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 20.9 t70 -158.25 -47.15 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.8 0.333 . . . . 2.85 111.273 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 104.83 11.12 31.12 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.723 -0.751 . . . . 0.82 112.003 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1138 ' ' SER . . . . . 0.428 ' O ' ' HG2' ' A' 1141 ' ' LYS . 63.4 p -64.96 -16.04 62.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.095 0.474 . . . . 1.17 110.979 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1139 ' ' ASP . . . . . 0.419 ' HB2' ' HA ' ' A' 1127 ' ' VAL . 7.6 p-10 -73.61 -34.83 65.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.763 -0.653 . . . . 0.33 109.98 177.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -81.26 -29.36 34.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.899 -0.591 . . . . 0.44 110.096 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1141 ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' 1138 ' ' SER . 14.2 pttp -74.31 -31.69 62.57 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.078 -0.51 . . . . 2.08 110.884 -177.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 5.4 t30 -82.1 64.34 6.73 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.467 0.651 . . . . 2.44 109.518 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 44.6 t -179.44 153.12 0.55 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.086 -0.961 . . . . 1.67 109.234 -173.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 23.0 p30 -69.85 -20.66 63.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.01 -0.541 . . . . 5.3 110.913 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 86.6 p 58.94 168.5 0.06 Allowed 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.516 1.126 . . . . 6.23 112.284 177.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 21.1 p -90.34 65.14 6.17 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.812 -0.631 . . . . 8.4 109.919 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -25.0 66.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.29 -0.868 . . . . 9.87 112.321 -174.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 29.0 m . . . . . 0 C--N 1.325 -0.496 0 CA-C-O 120.989 0.423 . . . . 11.53 109.896 177.401 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 91.5 m . . . . . 0 N--CA 1.477 0.915 0 CA-C-O 120.778 0.323 . . . . 12.55 110.833 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -159.19 120.09 3.24 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.634 -0.506 . . . . 11.83 109.634 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -69.58 119.78 73.09 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.493 -0.321 . . . . 8.79 111.159 -177.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -82.96 134.89 7.32 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.833 2.355 . . . . 6.8 111.956 177.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1107 ' ' ALA . . . . . 0.422 ' C ' ' H ' ' A' 1109 ' ' CYS . . . -127.84 130.35 48.47 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.254 -0.43 . . . . 5.29 110.334 -179.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 13.1 p -85.19 37.33 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 122.152 0.977 . . . . 3.32 110.503 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1109 ' ' CYS . . . . . 0.422 ' H ' ' C ' ' A' 1107 ' ' ALA . 64.2 m -134.29 -166.03 1.74 Allowed 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.176 -1.375 . . . . 0.94 109.703 178.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 7.8 tp -54.44 158.1 2.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.784 -0.644 . . . . 1.29 110.826 176.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.8 -25.9 68.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.282 -0.417 . . . . 2.32 110.912 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 19.3 p -104.72 4.14 32.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.208 -0.451 . . . . 1.19 111.036 177.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -100.84 155.33 17.99 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.384 0.611 . . . . 1.21 111.415 177.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 76.2 t80 -106.81 152.54 23.73 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.87 -1.059 . . . . 0.89 109.147 177.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 20.4 m -115.38 99.07 7.11 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 116.118 -0.492 . . . . 1.1 109.893 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 88.7 m -74.18 -175.38 2.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.761 -0.654 . . . . 0.65 112.466 -177.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -53.88 -42.99 69.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.682 -0.69 . . . . 2.62 111.674 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -85.74 18.45 2.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.679 -0.237 . . . . 2.75 111.158 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 32.6 m170 58.42 27.93 16.15 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.186 0.517 . . . . 1.35 109.813 -173.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -72.62 112.28 8.52 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.342 -0.844 . . . . 1.99 109.298 -177.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 71.2 m -80.81 98.12 7.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.352 0.596 . . . . 0.42 110.526 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1122 ' ' ILE . . . . . 0.488 HD12 ' SG ' ' A' 1134 ' ' CYS . 48.4 pt -112.57 175.84 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.312 -0.858 . . . . 1.07 109.192 176.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1123 ' ' SER . . . . . 0.503 ' HG ' ' HB2' ' A' 1125 ' ' ASN . 16.5 t -74.52 146.21 42.85 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.493 -0.483 . . . . 0.63 109.898 175.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.63 -13.68 59.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 1.88 110.271 174.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1125 ' ' ASN . . . . . 0.503 ' HB2' ' HG ' ' A' 1123 ' ' SER . 3.6 m-20 -85.1 -16.09 41.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.041 -0.527 . . . . 2.22 110.367 176.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1126 ' ' TRP . . . . . 0.577 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 44.2 m0 -89.5 -9.93 48.18 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 121.386 0.612 . . . . 0.67 109.96 178.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 95.0 t -69.32 118.38 13.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.212 -0.904 . . . . 1.06 109.958 175.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 41.4 t 65.42 48.21 2.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.784 -0.644 . . . . 0.58 109.935 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -112.35 9.14 19.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.824 -0.626 . . . . 0.46 110.112 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 56.2 p 55.37 25.19 7.33 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.189 0.996 . . . . 1.34 112.574 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 23.3 t70 -128.98 140.0 51.84 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.29 -0.633 . . . . 1.21 109.29 173.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -77.24 102.24 6.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.45 0.643 . . . . 2.73 111.728 -171.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1133 ' ' ASP . . . . . 0.577 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.2 OUTLIER -115.43 -21.64 9.71 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.204 -0.907 . . . . 1.28 109.778 174.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1134 ' ' CYS . . . . . 0.488 ' SG ' HD12 ' A' 1122 ' ' ILE . 96.4 m -120.75 141.33 50.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.083 -0.508 . . . . 1.57 110.771 175.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -51.77 -64.8 3.63 Favored Glycine 0 C--N 1.335 0.512 0 N-CA-C 114.256 0.462 . . . . 1.82 114.256 -172.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 13.5 t70 -66.25 -15.48 63.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.203 0.525 . . . . 2.85 111.607 -177.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 71.16 32.15 65.86 Favored Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 109.938 -1.265 . . . . 0.82 109.938 -170.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1138 ' ' SER . . . . . 0.454 ' HA ' ' HD3' ' A' 1141 ' ' LYS . 8.6 p -68.46 -26.07 65.31 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.028 -0.586 . . . . 1.17 111.059 -176.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -68.79 -33.82 74.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.819 -0.628 . . . . 0.33 109.588 174.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -78.51 -39.86 36.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.783 -0.644 . . . . 0.44 110.181 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1141 ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' A' 1138 ' ' SER . 46.6 pttt -68.7 -25.96 65.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.047 -0.524 . . . . 2.08 110.778 -176.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 6.7 t30 -81.69 43.31 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 122.031 0.92 . . . . 2.44 109.01 175.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 42.2 t -171.76 -54.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.029 -0.987 . . . . 1.67 109.743 -176.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -114.28 96.81 5.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 5.3 110.772 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 32.0 p -167.03 137.27 3.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.952 -0.567 . . . . 6.23 110.215 177.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 23.0 p -89.11 47.89 1.55 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.286 0.565 . . . . 8.4 110.821 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -13.6 62.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.736 -0.666 . . . . 9.87 111.655 -177.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 C--N 1.327 -0.391 0 CA-C-O 121.252 0.549 . . . . 11.53 110.403 176.119 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 120.777 0.322 . . . . 12.55 110.637 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 50.2 t-80 64.22 84.54 0.15 Allowed 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 115.896 -0.593 . . . . 11.83 110.844 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -67.53 129.87 93.41 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.897 -0.592 . . . . 8.79 110.418 179.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.7 125.06 16.77 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.625 2.217 . . . . 6.8 111.952 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -86.3 153.66 21.81 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.855 -0.611 . . . . 5.29 110.369 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 22.9 p -79.43 135.33 36.65 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.813 -0.44 . . . . 3.32 109.813 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 95.4 m -67.99 178.17 1.91 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.791 -0.641 . . . . 0.94 111.44 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 7.8 tp -48.01 151.26 0.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 123.21 0.604 . . . . 1.29 111.296 -175.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 32.8 t70 -61.77 -27.06 68.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.175 0.512 . . . . 2.32 110.312 177.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 6.8 p -99.03 5.0 47.29 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.792 -0.64 . . . . 1.19 111.16 176.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1113 ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' 1122 ' ' ILE . 65.0 mt-30 -99.09 146.65 25.87 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.746 0.784 . . . . 1.21 111.808 176.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1114 ' ' TYR . . . . . 0.526 ' O ' ' HA ' ' A' 1121 ' ' CYS . 77.7 t80 -107.04 144.41 33.73 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.503 -1.226 . . . . 0.89 108.788 175.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 3.0 m -96.83 100.93 12.45 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 109.22 -0.659 . . . . 1.1 109.22 -178.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1116 ' ' CYS . . . . . 0.487 ' HB2' ' O ' ' A' 1120 ' ' GLN . 47.3 m -68.06 171.86 6.36 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.594 0.961 . . . . 0.65 113.594 -172.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1117 ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' 1118 ' ' ASN . 2.0 p30 -49.83 -50.08 46.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.437 -1.256 . . . . 2.62 111.474 172.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1118 ' ' ASN . . . . . 0.426 ' N ' ' OD1' ' A' 1117 ' ' ASP . 11.5 t-20 -76.41 8.24 3.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.813 -0.63 . . . . 2.75 111.198 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 56.5 m80 70.14 3.89 4.59 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.329 0.652 . . . . 1.35 111.255 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1120 ' ' GLN . . . . . 0.487 ' O ' ' HB2' ' A' 1116 ' ' CYS . 51.1 tp60 -72.93 137.17 45.38 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.484 -0.932 . . . . 1.99 108.484 173.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1121 ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' 1114 ' ' TYR . 88.1 m -105.6 119.09 38.24 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.715 0.769 . . . . 0.42 111.376 -177.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1122 ' ' ILE . . . . . 0.441 ' HB ' ' CE3' ' A' 1126 ' ' TRP . 40.1 pt -109.79 173.74 2.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 114.496 -1.229 . . . . 1.07 109.44 -177.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 46.9 t -74.76 136.76 41.71 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.098 -0.705 . . . . 0.63 109.098 174.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.31 -21.34 63.88 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.802 0.334 . . . . 1.88 110.752 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -63.91 -26.44 68.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.874 -0.603 . . . . 2.22 110.95 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1126 ' ' TRP . . . . . 0.441 ' CE3' ' HB ' ' A' 1122 ' ' ILE . 33.3 m0 -82.04 -18.83 41.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.063 0.459 . . . . 0.67 110.383 -178.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 84.2 t -65.9 118.74 9.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.897 -0.592 . . . . 1.06 110.748 -177.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1128 ' ' CYS . . . . . 0.432 ' HB2' ' HB2' ' A' 1143 ' ' CYS . 41.9 t 66.82 53.98 0.83 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.463 -0.79 . . . . 0.58 110.335 178.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -117.48 27.08 9.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.426 -0.807 . . . . 0.46 110.144 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 41.1 p 53.37 38.29 27.5 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.077 -0.965 . . . . 1.34 112.026 -177.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -152.24 130.69 12.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.793 -0.64 . . . . 1.21 110.137 176.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1132 ' ' ASN . . . . . 0.429 HD21 ' HA3' ' A' 1137 ' ' GLY . 15.1 m120 -74.35 101.75 4.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.506 0.193 . . . . 2.73 111.147 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -93.87 -37.99 11.45 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.867 0.365 . . . . 1.28 110.227 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1134 ' ' CYS . . . . . 0.676 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 61.5 m -72.33 -177.75 2.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.96 -0.564 . . . . 1.57 110.763 177.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -71.88 -52.18 12.66 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.538 -0.839 . . . . 1.82 111.886 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -92.99 -27.36 17.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.329 0.585 . . . . 2.85 109.968 178.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1137 ' ' GLY . . . . . 0.429 ' HA3' HD21 ' A' 1132 ' ' ASN . . . 111.05 30.68 3.1 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.497 -0.774 . . . . 0.82 111.661 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1138 ' ' SER . . . . . 0.441 ' HA ' ' HG2' ' A' 1141 ' ' LYS . 92.0 p -62.79 -27.03 69.02 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.444 0.298 . . . . 1.17 111.584 -176.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1139 ' ' ASP . . . . . 0.676 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 5.0 p-10 -67.0 -26.83 66.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.294 0.569 . . . . 0.33 110.384 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -87.66 -31.9 19.52 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.967 -0.561 . . . . 0.44 110.604 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1141 ' ' LYS . . . . . 0.441 ' HG2' ' HA ' ' A' 1138 ' ' SER . 16.5 pttp -75.06 -29.98 60.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.178 0.513 . . . . 2.08 110.187 -178.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 5.5 t30 -82.63 68.67 9.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.72 -0.673 . . . . 2.44 109.693 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1143 ' ' CYS . . . . . 0.432 ' HB2' ' HB2' ' A' 1128 ' ' CYS . 48.8 t -170.23 114.56 0.48 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.971 -0.559 . . . . 1.67 110.272 -176.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 8.9 p30 38.08 58.83 1.46 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.948 0.899 . . . . 5.3 112.018 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 13.0 p -69.87 -81.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.601 -0.727 . . . . 6.23 110.872 -177.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 25.7 p -92.14 79.13 5.15 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.104 0.478 . . . . 8.4 111.064 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.07 -18.03 23.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.309 0.576 . . . . 9.87 111.067 178.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 CA--C 1.532 0.264 0 CA-C-N 114.929 -1.032 . . . . 11.53 111.336 174.348 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 30.2 m . . . . . 0 N--CA 1.475 0.807 0 CA-C-O 120.73 0.3 . . . . 12.55 110.668 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 48.7 m80 -75.03 137.79 41.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.969 0.414 . . . . 11.83 110.534 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -100.13 135.38 20.37 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-N 115.786 -0.643 . . . . 8.79 111.127 -177.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -62.22 167.48 10.9 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.91 2.407 . . . . 6.8 111.959 173.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -79.73 87.41 5.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.281 -0.418 . . . . 5.29 110.674 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 13.0 p -86.17 96.63 9.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.196 -0.456 . . . . 3.32 110.784 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 38.6 m -75.93 -173.15 2.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.179 -0.464 . . . . 0.94 110.543 178.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 11.5 tp -60.94 162.03 7.49 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.453 -0.34 . . . . 1.29 110.817 -178.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -62.19 -39.45 92.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.403 0.62 . . . . 2.32 109.699 176.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 14.2 p -96.92 6.78 48.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.358 -0.837 . . . . 1.19 111.544 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1113 ' ' GLN . . . . . 0.675 ' OE1' ' HB3' ' A' 1121 ' ' CYS . 53.0 mt-30 -99.99 160.71 14.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.127 0.489 . . . . 1.21 111.317 174.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1114 ' ' TYR . . . . . 0.413 ' O ' ' HA ' ' A' 1121 ' ' CYS . 66.9 t80 -113.81 154.4 27.49 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.41 -0.814 . . . . 0.89 110.04 178.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 7.5 m -109.97 107.3 17.15 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.991 -0.549 . . . . 1.1 109.944 177.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 92.6 m -75.84 175.87 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.508 -0.315 . . . . 0.65 111.529 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -62.9 -28.47 70.07 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.161 0.505 . . . . 2.62 110.659 -178.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -82.62 9.43 9.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.868 -0.606 . . . . 2.75 110.39 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 67.1 m80 63.03 26.59 15.53 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.888 -0.596 . . . . 1.35 110.332 -176.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -85.97 130.63 34.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.325 -0.852 . . . . 1.99 109.97 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1121 ' ' CYS . . . . . 0.675 ' HB3' ' OE1' ' A' 1113 ' ' GLN . 61.6 m -94.76 102.18 14.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.988 0.423 . . . . 0.42 110.992 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 45.5 pt -110.74 173.92 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.105 -0.498 . . . . 1.07 110.231 176.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1123 ' ' SER . . . . . 0.434 ' HG ' ' HB2' ' A' 1125 ' ' ASN . 10.5 t -72.08 141.31 49.23 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 110.056 -0.35 . . . . 0.63 110.056 175.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1124 ' ' LYS . . . . . 0.469 ' HE3' ' O ' ' A' 1113 ' ' GLN . 92.2 mttt -65.57 -16.32 63.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.759 0.314 . . . . 1.88 110.602 176.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1125 ' ' ASN . . . . . 0.434 ' HB2' ' HG ' ' A' 1123 ' ' SER . 36.7 m-80 -77.12 -22.22 53.0 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.184 0.516 . . . . 2.22 109.816 176.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1126 ' ' TRP . . . . . 0.505 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 50.5 m0 -86.47 -10.31 54.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.859 -0.609 . . . . 0.67 110.469 -178.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1127 ' ' VAL . . . . . 0.408 ' HA ' ' OD2' ' A' 1139 ' ' ASP . 93.9 t -69.84 121.69 19.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.856 -0.611 . . . . 1.06 110.685 178.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 28.1 t 64.42 49.6 2.44 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.601 0.715 . . . . 0.58 110.207 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -114.32 14.66 18.05 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.576 -0.738 . . . . 0.46 110.318 -178.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 72.8 p 57.41 29.84 17.61 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.961 0.905 . . . . 1.34 112.133 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 14.5 t70 -133.46 140.79 47.48 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 116.244 -0.434 . . . . 1.21 109.974 174.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 10.0 m120 -84.41 67.87 10.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.334 0.588 . . . . 2.73 111.533 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1133 ' ' ASP . . . . . 0.505 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.0 OUTLIER -62.95 -45.6 91.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.342 -0.845 . . . . 1.28 108.892 169.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1134 ' ' CYS . . . . . . . . . . . . . 70.1 m -94.89 136.54 35.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.635 -0.711 . . . . 1.57 109.67 169.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -52.28 -54.7 25.46 Favored Glycine 0 C--O 1.236 0.244 0 C-N-CA 121.448 -0.406 . . . . 1.82 113.868 -170.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -83.91 0.94 45.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.902 0.382 . . . . 2.85 111.829 -175.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 59.96 40.76 97.36 Favored Glycine 0 N--CA 1.453 -0.232 0 CA-C-N 115.653 -0.703 . . . . 0.82 113.071 175.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1138 ' ' SER . . . . . 0.549 ' O ' ' HG2' ' A' 1141 ' ' LYS . 2.1 p -74.38 -16.05 60.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.996 0.427 . . . . 1.17 110.827 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1139 ' ' ASP . . . . . 0.408 ' OD2' ' HA ' ' A' 1127 ' ' VAL . 4.5 p-10 -73.71 -35.08 65.07 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.138 -0.69 . . . . 0.33 109.138 174.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -72.32 -39.56 68.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.435 -0.802 . . . . 0.44 109.873 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1141 ' ' LYS . . . . . 0.549 ' HG2' ' O ' ' A' 1138 ' ' SER . 15.2 pttp -66.49 -28.68 68.77 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.259 0.552 . . . . 2.08 109.871 178.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 5.3 t30 -81.96 60.63 4.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.516 -0.765 . . . . 2.44 109.185 177.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 30.8 t -179.81 -42.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.401 -0.818 . . . . 1.67 110.29 -174.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 9.9 p30 -150.4 151.31 32.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.049 -0.523 . . . . 5.3 110.449 -178.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 15.9 m -96.74 -47.49 5.86 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.641 -0.709 . . . . 6.23 110.035 175.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 63.3 p -91.38 73.6 6.1 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.555 -0.748 . . . . 8.4 111.525 -177.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -32.63 74.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.054 -0.521 . . . . 9.87 110.521 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--N 1.324 -0.514 0 CA-C-O 121.369 0.604 . . . . 11.53 110.985 178.302 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 6.9 t . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 120.508 0.194 . . . . 12.55 110.836 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 70.5 m80 64.2 93.7 0.06 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.323 0.582 . . . . 11.83 111.733 176.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -62.14 124.29 81.56 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.321 -0.854 . . . . 8.79 110.859 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.6 145.73 68.39 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.997 2.465 . . . . 6.8 112.278 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -78.03 74.95 4.57 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.141 0.496 . . . . 5.29 110.746 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 13.2 p -77.79 130.64 36.96 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.877 -0.602 . . . . 3.32 110.15 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 74.9 m -80.27 178.34 8.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.912 0.387 . . . . 0.94 111.693 -176.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 9.3 tp -57.5 157.84 6.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.664 -0.698 . . . . 1.29 110.552 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -66.96 -26.58 66.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.053 0.454 . . . . 2.32 109.798 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 6.5 p -99.42 1.8 44.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.73 -0.668 . . . . 1.19 111.18 177.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -100.37 164.89 11.72 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.263 0.554 . . . . 1.21 111.115 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 71.0 t80 -109.15 150.34 28.01 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.037 -0.983 . . . . 0.89 109.639 173.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 9.6 m -113.41 103.25 11.1 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.704 -0.68 . . . . 1.1 109.614 178.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 76.5 m -66.34 169.3 7.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.428 -0.351 . . . . 0.65 111.337 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 15.1 t70 -54.74 -47.02 74.35 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.565 -0.289 . . . . 2.62 111.775 -172.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -88.44 30.12 0.92 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.801 0.334 . . . . 2.75 111.551 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 64.0 m170 59.76 64.33 1.32 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.709 -0.678 . . . . 1.35 112.108 175.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1120 ' ' GLN . . . . . 0.47 ' HA ' ' OE1' ' A' 1120 ' ' GLN . 6.0 tp60 -118.46 128.38 54.55 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.601 -0.518 . . . . 1.99 109.601 173.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 75.2 m -90.38 112.62 24.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.937 -0.574 . . . . 0.42 110.997 -178.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1122 ' ' ILE . . . . . 0.437 HD11 ' SG ' ' A' 1134 ' ' CYS . 38.3 pt -129.88 169.95 19.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.713 -0.676 . . . . 1.07 110.07 177.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 13.1 t -70.83 144.68 50.7 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.869 -0.419 . . . . 0.63 109.869 175.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 97.1 mttt -68.65 -11.05 59.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.368 . . . . 1.88 110.138 175.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -79.56 -20.47 46.98 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.21 0.528 . . . . 2.22 109.841 174.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1126 ' ' TRP . . . . . 0.469 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 46.0 m0 -87.55 -13.71 42.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.766 -0.652 . . . . 0.67 110.336 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 89.5 t -69.98 120.49 17.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.118 -0.492 . . . . 1.06 110.416 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 41.9 t 63.59 48.89 3.22 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.627 0.727 . . . . 0.58 110.368 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -114.34 12.35 17.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.661 -0.7 . . . . 0.46 109.723 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 57.9 p 56.19 31.41 18.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.815 -1.084 . . . . 1.34 112.318 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 21.7 t70 -131.07 146.65 52.45 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-N 116.347 -0.388 . . . . 1.21 110.195 174.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -82.69 88.25 6.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.697 -0.683 . . . . 2.73 111.218 -176.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1133 ' ' ASP . . . . . 0.469 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.0 OUTLIER -98.09 -18.83 18.31 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.607 -0.724 . . . . 1.28 110.19 178.459 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1134 ' ' CYS . . . . . 0.437 ' SG ' HD11 ' A' 1122 ' ' ILE . 87.8 m -118.98 146.39 45.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.939 -0.573 . . . . 1.57 110.095 175.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -79.88 47.39 3.31 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 121.164 -0.541 . . . . 1.82 112.963 -176.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 3.9 p30 -164.91 -35.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 122.607 0.363 . . . . 2.85 110.671 178.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 90.68 18.3 48.68 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.087 -0.578 . . . . 0.82 111.898 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1138 ' ' SER . . . . . 0.511 ' O ' ' HG2' ' A' 1141 ' ' LYS . 37.3 p -69.05 -22.77 64.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.563 0.22 . . . . 1.17 111.397 -177.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1139 ' ' ASP . . . . . 0.522 ' HA ' ' ND2' ' A' 1142 ' ' ASN . 3.3 p-10 -69.17 -32.76 72.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.347 0.594 . . . . 0.33 109.814 176.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -79.65 -26.55 41.03 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.713 -0.676 . . . . 0.44 110.377 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1141 ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' 1138 ' ' SER . 54.2 pttt -82.69 -26.96 31.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.319 -0.401 . . . . 2.08 111.679 -174.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1142 ' ' ASN . . . . . 0.522 ' ND2' ' HA ' ' A' 1139 ' ' ASP . 7.8 p30 -87.21 17.6 4.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.057 0.456 . . . . 2.44 110.644 -178.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 34.0 t -75.71 63.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.466 0.65 . . . . 1.67 110.933 -178.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 7.7 p30 -150.83 36.55 0.62 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.464 -0.789 . . . . 5.3 108.997 176.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 52.1 p -65.4 151.38 46.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.045 -0.98 . . . . 6.23 111.289 -176.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 13.7 p -70.36 96.06 1.1 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.999 -0.546 . . . . 8.4 110.653 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -67.96 -25.58 65.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.68 -0.691 . . . . 9.87 110.457 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 22.8 m . . . . . 0 N--CA 1.445 -0.699 0 CA-C-N 115.566 -0.743 . . . . 11.53 109.219 175.527 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 23.7 m . . . . . 0 N--CA 1.473 0.717 0 N-CA-C 110.406 -0.22 . . . . 12.55 110.406 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -63.09 116.74 5.65 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.934 -0.395 . . . . 11.83 109.934 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -62.97 128.71 92.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.866 -0.606 . . . . 8.79 110.431 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -68.16 118.31 5.54 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.273 1.982 . . . . 6.8 111.301 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -89.7 176.66 6.77 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.894 -0.594 . . . . 5.29 110.895 -176.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 9.5 p -70.07 138.69 52.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.065 -0.516 . . . . 3.32 109.837 176.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 38.5 m -78.1 172.2 13.88 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.134 -0.485 . . . . 0.94 110.503 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.2 tp -56.93 151.16 15.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.97 -0.559 . . . . 1.29 109.949 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.12 -23.54 67.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.978 0.418 . . . . 2.32 110.337 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1112 ' ' THR . . . . . 0.582 ' O ' ' HG3' ' A' 1124 ' ' LYS . 5.1 p -100.93 7.47 43.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.07 -0.514 . . . . 1.19 111.095 175.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1113 ' ' GLN . . . . . 0.688 ' OE1' ' HB3' ' A' 1121 ' ' CYS . 59.2 mt-30 -105.87 167.67 9.63 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.272 0.558 . . . . 1.21 110.896 173.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 61.3 t80 -107.76 151.12 26.13 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.356 -0.838 . . . . 0.89 110.013 177.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 10.6 m -108.16 114.09 27.71 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.565 -0.743 . . . . 1.1 109.746 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 23.6 m -76.12 167.56 21.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.584 -0.28 . . . . 0.65 110.848 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 25.2 t70 -56.88 -36.86 70.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.235 0.54 . . . . 2.62 110.68 177.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -79.83 12.74 2.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.8 -0.636 . . . . 2.75 111.248 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 39.1 m80 63.98 26.44 14.12 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 122.765 0.426 . . . . 1.35 110.883 -177.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -87.83 151.91 22.5 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.378 -0.601 . . . . 1.99 109.378 178.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1121 ' ' CYS . . . . . 0.688 ' HB3' ' OE1' ' A' 1113 ' ' GLN . 60.0 m -113.18 113.59 25.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.099 0.476 . . . . 0.42 111.577 -176.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1122 ' ' ILE . . . . . 0.407 ' HB ' ' CE3' ' A' 1126 ' ' TRP . 38.5 pt -120.83 169.2 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.836 -0.62 . . . . 1.07 109.734 177.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1123 ' ' SER . . . . . 0.42 ' HG ' ' HB2' ' A' 1125 ' ' ASN . 14.3 t -72.63 145.9 46.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.868 0.366 . . . . 0.63 110.127 175.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1124 ' ' LYS . . . . . 0.582 ' HG3' ' O ' ' A' 1112 ' ' THR . 49.8 mttm -67.78 -15.8 63.81 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.096 -0.502 . . . . 1.88 110.556 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1125 ' ' ASN . . . . . 0.42 ' HB2' ' HG ' ' A' 1123 ' ' SER . 16.1 m120 -74.13 -22.24 59.54 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 120.982 0.42 . . . . 2.22 110.71 178.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1126 ' ' TRP . . . . . 0.407 ' CE3' ' HB ' ' A' 1122 ' ' ILE . 36.0 m0 -79.88 -23.42 41.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.118 -0.492 . . . . 0.67 110.189 -178.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 67.0 t -64.16 116.61 3.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.101 -0.499 . . . . 1.06 111.031 -176.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1128 ' ' CYS . . . . . 0.447 ' HB2' ' HB2' ' A' 1143 ' ' CYS . 41.6 t 64.36 52.08 1.94 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 122.114 0.959 . . . . 0.58 110.179 178.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -110.19 14.11 22.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.163 -0.926 . . . . 0.46 109.54 176.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 40.9 p 66.17 8.29 5.44 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.094 1.357 . . . . 1.34 112.217 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 31.8 t70 -120.68 104.0 9.57 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.081 -0.711 . . . . 1.21 109.081 172.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 9.0 p30 -59.53 128.64 38.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.139 0.495 . . . . 2.73 111.978 -173.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -113.66 -172.23 2.04 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.947 -0.76 . . . . 1.28 108.947 176.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1134 ' ' CYS . . . . . 0.407 ' SG ' HD11 ' A' 1122 ' ' ILE . 35.6 m 66.89 9.34 6.75 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.105 0.253 . . . . 1.57 111.373 177.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 74.65 -47.02 1.75 Allowed Glycine 0 CA--C 1.522 0.517 0 C-N-CA 121.319 -0.467 . . . . 1.82 112.892 -176.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -95.76 -8.1 35.37 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.099 0.407 . . . . 2.85 112.099 -177.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 75.91 30.99 56.78 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.559 -0.829 . . . . 0.82 112.574 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1138 ' ' SER . . . . . . . . . . . . . 27.6 p -73.64 -1.02 17.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.049 0.452 . . . . 1.17 111.407 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -96.1 -26.68 15.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.121 0.486 . . . . 0.33 110.045 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1140 ' ' GLU . . . . . 0.412 ' OE1' ' HA ' ' A' 1128 ' ' CYS . 75.7 mm-40 -92.34 -9.04 43.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.008 -0.542 . . . . 0.44 110.315 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1141 ' ' LYS . . . . . . . . . . . . . 21.7 pttp -66.24 -28.96 69.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.093 0.473 . . . . 2.08 110.652 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 10.7 t30 -82.87 -6.97 59.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.647 0.737 . . . . 2.44 109.326 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1143 ' ' CYS . . . . . 0.447 ' HB2' ' HB2' ' A' 1128 ' ' CYS . 9.5 t -96.92 15.71 21.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.173 -0.921 . . . . 1.67 110.069 -178.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 3.9 p-10 43.01 53.01 5.24 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.748 -1.115 . . . . 5.3 111.969 -176.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 6.6 p -64.18 130.39 43.71 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.715 -0.675 . . . . 6.23 110.522 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 24.8 p -79.5 45.92 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.498 0.666 . . . . 8.4 111.268 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -88.53 -8.33 54.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.646 -0.706 . . . . 9.87 111.381 -176.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 6.3 m . . . . . 0 C--N 1.325 -0.49 0 CA-C-O 121.82 0.819 . . . . 11.53 110.195 179.912 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 16.9 p . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 110.523 -0.177 . . . . 12.55 110.523 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 15.4 t-80 61.8 94.94 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 O-C-N 123.474 0.484 . . . . 11.83 110.829 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1105 ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' A' 1106 ' ' PRO . . . -67.51 120.84 75.95 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.902 -0.59 . . . . 8.79 110.795 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1106 ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' 1105 ' ' ALA . 18.3 Cg_exo -66.2 125.56 14.26 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.624 2.216 . . . . 6.8 111.879 178.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -130.28 99.67 5.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.244 -0.434 . . . . 5.29 110.716 -178.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 23.5 p -85.45 -178.48 6.71 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.274 -0.421 . . . . 3.32 110.947 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 59.8 m -71.56 -175.03 1.21 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.084 -0.507 . . . . 0.94 111.819 -177.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.5 tp -60.21 160.99 7.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.675 -0.693 . . . . 1.29 110.386 177.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -64.44 -34.75 78.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.971 0.415 . . . . 2.32 110.222 176.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 29.5 p -89.69 -3.91 57.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.01 -0.541 . . . . 1.19 111.221 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -94.61 157.16 16.1 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 121.895 0.855 . . . . 1.21 112.129 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 88.2 t80 -103.14 150.82 23.26 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.158 -1.383 . . . . 0.89 108.652 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 12.9 m -115.29 100.44 8.13 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 116.218 -0.446 . . . . 1.1 109.933 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 34.4 m -60.01 162.85 5.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.732 -0.667 . . . . 0.65 110.332 178.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 13.8 t70 -67.78 -3.86 10.71 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.627 0.727 . . . . 2.62 110.414 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 14.0 m120 -104.4 15.56 27.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.27 -0.877 . . . . 2.75 110.175 177.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 30.7 m80 57.57 32.1 21.32 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.138 0.494 . . . . 1.35 111.204 -175.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -95.62 124.85 39.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.828 -0.624 . . . . 1.99 109.728 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 66.9 m -89.74 119.54 30.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.937 0.398 . . . . 0.42 110.975 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 45.0 pt -132.91 173.58 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.815 -0.63 . . . . 1.07 109.632 176.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 13.4 t -71.65 141.31 49.92 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.011 0.434 . . . . 0.63 110.114 174.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.72 -20.92 66.61 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 116.154 -0.475 . . . . 1.88 110.364 175.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -78.52 -13.77 59.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.001 0.429 . . . . 2.22 110.643 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 40.6 m0 -86.25 -17.71 34.02 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.975 -0.557 . . . . 0.67 110.29 177.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 60.0 t -67.68 120.59 15.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 116.454 -0.339 . . . . 1.06 111.107 -176.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 44.3 t 62.51 54.47 2.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.674 0.75 . . . . 0.58 110.395 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -116.95 27.59 9.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.493 -0.776 . . . . 0.46 110.262 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 40.2 p 60.31 16.52 6.27 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.458 1.103 . . . . 1.34 112.334 -179.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 15.2 t70 -133.38 119.92 20.29 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.708 -0.478 . . . . 1.21 109.708 177.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -69.95 106.35 3.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.265 0.555 . . . . 2.73 111.033 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -95.0 -39.73 10.02 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 116.219 -0.446 . . . . 1.28 110.708 -177.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1134 ' ' CYS . . . . . 0.601 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 21.4 m -73.83 152.97 40.11 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.264 -0.643 . . . . 1.57 109.264 175.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -49.94 -58.58 8.39 Favored Glycine 0 C--O 1.235 0.195 0 C-N-CA 120.969 -0.634 . . . . 1.82 112.592 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 31.1 t70 -75.8 -22.07 56.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.904 0.383 . . . . 2.85 110.926 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 95.46 27.96 10.15 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 121.149 -0.548 . . . . 0.82 112.613 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1138 ' ' SER . . . . . 0.444 ' HA ' ' HG2' ' A' 1141 ' ' LYS . 80.2 p -64.89 -23.25 67.17 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.141 0.422 . . . . 1.17 112.141 -175.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1139 ' ' ASP . . . . . 0.601 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 6.5 p-10 -70.5 -25.63 63.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.118 0.485 . . . . 0.33 110.568 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -90.33 -29.94 17.77 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.935 -0.575 . . . . 0.44 110.407 178.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1141 ' ' LYS . . . . . 0.444 ' HG2' ' HA ' ' A' 1138 ' ' SER . 46.2 pttt -75.54 -31.78 60.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.027 0.441 . . . . 2.08 110.11 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 6.4 t30 -82.51 70.21 9.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.334 0.588 . . . . 2.44 109.416 177.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 28.6 t -162.92 46.09 0.14 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.636 0.731 . . . . 1.67 109.657 -178.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -114.25 166.11 11.99 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.666 -0.697 . . . . 5.3 110.23 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 21.8 m 56.48 68.71 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.72 0.772 . . . . 6.23 111.363 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 14.4 p -90.87 88.13 6.92 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.975 -1.011 . . . . 8.4 110.915 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1147 ' ' GLU . . . . . 0.454 ' H ' ' CD ' ' A' 1147 ' ' GLU . 0.5 OUTLIER -64.04 -26.67 68.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.829 -0.623 . . . . 9.87 111.089 -177.483 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 116.413 -0.358 . . . . 11.53 111.195 178.653 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1103 ' ' THR . . . . . 0.41 ' O ' ' HB2' ' A' 1104 ' ' HIS . 18.4 p . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 111.941 0.349 . . . . 12.55 111.941 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1104 ' ' HIS . . . . . 0.41 ' HB2' ' O ' ' A' 1103 ' ' THR . 38.8 m80 71.29 -58.25 0.58 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.179 0.592 . . . . 11.83 111.074 -178.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -61.01 133.51 92.57 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.251 -0.431 . . . . 8.79 109.914 175.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -49.44 119.83 5.05 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.076 2.517 . . . . 6.8 112.875 -176.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -79.08 73.62 5.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.627 -0.715 . . . . 5.29 110.619 -178.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 8.3 p -80.56 58.2 3.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.972 -0.558 . . . . 3.32 111.465 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 84.6 m -137.7 -176.56 4.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.838 -0.619 . . . . 0.94 110.312 176.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.7 tp -59.59 157.3 11.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.016 -0.538 . . . . 1.29 110.33 176.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 38.6 t70 -69.09 -24.35 64.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.05 0.452 . . . . 2.32 110.632 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 11.6 p -96.99 -1.28 45.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.098 0.475 . . . . 1.19 110.916 174.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -99.64 156.83 16.86 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 121.56 0.695 . . . . 1.21 111.525 178.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1114 ' ' TYR . . . . . 0.74 ' HH ' HD21 ' A' 1142 ' ' ASN . 75.8 t80 -106.14 151.05 25.23 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 114.723 -1.126 . . . . 0.89 108.925 177.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 22.1 m -114.33 107.53 15.7 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.064 0.459 . . . . 1.1 110.441 -177.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 82.7 m -67.28 170.46 7.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.66 -0.7 . . . . 0.65 111.845 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 7.2 t70 -58.15 -32.85 68.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.815 -0.629 . . . . 2.62 109.687 171.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 5.5 m120 -78.89 2.85 18.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.376 -0.829 . . . . 2.75 111.348 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 47.5 m80 64.4 27.2 13.62 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.189 0.519 . . . . 1.35 110.841 -174.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1120 ' ' GLN . . . . . 0.525 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 56.9 tp60 -88.15 140.42 29.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.734 -0.666 . . . . 1.99 109.458 176.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 59.9 m -103.84 103.21 13.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.371 -0.377 . . . . 0.42 111.477 -175.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 45.1 pt -107.28 -178.22 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.324 -0.398 . . . . 1.07 109.964 175.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 12.2 t -79.31 141.26 37.17 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.685 0.279 . . . . 0.63 110.337 175.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 93.6 mttt -66.05 -17.57 64.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.218 -0.446 . . . . 1.88 111.075 175.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -79.84 -17.68 52.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.056 0.455 . . . . 2.22 110.641 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 50.7 m0 -90.77 -9.11 47.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.05 -0.523 . . . . 0.67 110.778 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 71.2 t -67.48 125.27 24.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.924 -0.58 . . . . 1.06 111.159 -178.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 48.1 t 59.05 51.39 7.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.538 -0.755 . . . . 0.58 110.532 177.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -112.82 18.71 17.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.471 -0.786 . . . . 0.46 109.908 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 61.3 p 58.55 28.31 16.86 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.47 1.108 . . . . 1.34 112.626 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 33.9 t70 -143.02 145.78 33.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.833 -0.621 . . . . 1.21 109.473 171.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 44.5 t30 -90.9 112.78 24.77 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.2 0.524 . . . . 2.73 110.835 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.79 -1.65 29.44 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 115.532 -0.758 . . . . 1.28 109.994 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1134 ' ' CYS . . . . . 0.525 ' SG ' ' HB3' ' A' 1120 ' ' GLN . 11.4 t -126.91 -175.07 3.31 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.608 -0.724 . . . . 1.57 110.233 -171.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -70.61 -69.59 1.36 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.572 -0.823 . . . . 1.82 112.438 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -71.17 -31.29 67.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.014 0.435 . . . . 2.85 111.665 -178.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 87.87 26.86 28.07 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 110.909 -0.876 . . . . 0.82 110.909 -173.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1138 ' ' SER . . . . . 0.438 ' HA ' ' HG2' ' A' 1141 ' ' LYS . 64.9 p -68.76 -16.82 63.91 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.23 -0.485 . . . . 1.17 111.489 -174.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -68.93 -22.82 64.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.466 0.65 . . . . 0.33 109.939 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -95.11 -39.2 10.25 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.594 -0.73 . . . . 0.44 110.156 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1141 ' ' LYS . . . . . 0.438 ' HG2' ' HA ' ' A' 1138 ' ' SER . 14.8 pttp -68.52 -30.21 68.96 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.805 0.336 . . . . 2.08 111.328 -174.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1142 ' ' ASN . . . . . 0.74 HD21 ' HH ' ' A' 1114 ' ' TYR . 63.0 t30 -74.99 -17.82 60.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.472 0.653 . . . . 2.44 109.615 177.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 50.1 t -96.36 59.19 1.84 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.885 -0.784 . . . . 1.67 108.885 173.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 2.8 p30 -81.99 63.12 6.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.297 -0.865 . . . . 5.3 111.218 -176.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 12.6 p -120.15 133.54 55.48 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.902 -0.59 . . . . 6.23 110.311 177.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 25.1 p -70.03 98.96 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.162 -0.472 . . . . 8.4 111.381 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -72.35 -21.97 61.23 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.86 -0.422 . . . . 9.87 109.86 178.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 16.5 m . . . . . 0 CA--C 1.528 0.115 0 CA-C-N 115.209 -0.905 . . . . 11.53 110.35 -177.358 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.475 0.787 0 CA-C-O 120.837 0.351 . . . . 12.55 110.52 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -102.5 -1.82 29.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 11.83 110.193 176.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -100.22 119.89 58.01 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.831 -0.622 . . . . 8.79 110.737 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.37 149.01 34.63 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.502 2.135 . . . . 6.8 111.971 177.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -93.99 37.35 1.09 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.27 0.557 . . . . 5.29 110.173 177.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 5.5 p -74.76 149.55 39.71 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.339 -0.846 . . . . 3.32 111.339 -176.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 84.8 m -86.7 -169.34 2.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.386 -0.825 . . . . 0.94 111.297 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1110 ' ' LEU . . . . . 0.508 ' CB ' ' HB2' ' A' 1113 ' ' GLN . 5.0 tp -51.84 163.18 0.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 123.668 0.787 . . . . 1.29 111.894 -178.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -61.42 -39.98 92.74 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.974 0.416 . . . . 2.32 110.238 178.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1112 ' ' THR . . . . . 0.544 ' O ' ' HG3' ' A' 1124 ' ' LYS . 25.6 p -95.34 8.81 42.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.206 -0.452 . . . . 1.19 111.377 177.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1113 ' ' GLN . . . . . 0.508 ' HB2' ' CB ' ' A' 1110 ' ' LEU . 15.1 mt-30 -110.7 150.31 29.22 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-O 121.855 0.835 . . . . 1.21 112.066 178.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 78.7 t80 -98.74 148.1 24.21 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.075 -1.421 . . . . 0.89 109.502 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 4.6 m -109.19 100.22 9.4 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.564 -0.743 . . . . 1.1 109.47 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1116 ' ' CYS . . . . . 0.478 ' HB3' ' OG ' ' A' 1138 ' ' SER . 99.3 m -72.56 173.31 9.08 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.241 -0.436 . . . . 0.65 111.779 -177.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 19.0 t70 -58.34 -40.79 83.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.036 0.446 . . . . 2.62 110.893 -178.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -83.37 14.7 3.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.06 -0.518 . . . . 2.75 110.79 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 41.7 m80 63.67 23.01 13.36 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.546 -0.752 . . . . 1.35 111.8 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -76.41 134.67 39.54 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.469 -0.567 . . . . 1.99 109.469 175.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1121 ' ' CYS . . . . . 0.451 ' HB3' ' NE2' ' A' 1113 ' ' GLN . 96.1 m -100.98 103.87 15.02 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.117 -0.492 . . . . 0.42 110.801 -177.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 35.7 pt -116.16 166.17 10.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.787 -0.642 . . . . 1.07 109.912 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 40.3 t -69.99 140.02 52.88 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.97 -0.752 . . . . 0.63 108.97 174.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1124 ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' A' 1112 ' ' THR . 85.0 mttt -63.71 -15.22 57.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.909 0.385 . . . . 1.88 110.608 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 6.8 t30 -73.05 -21.08 60.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.831 -0.622 . . . . 2.22 110.63 177.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 35.3 m0 -86.01 -17.25 35.78 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.022 0.439 . . . . 0.67 110.327 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 92.5 t -66.34 117.5 7.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.961 -0.563 . . . . 1.06 110.625 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1128 ' ' CYS . . . . . 0.406 ' HB2' ' HB2' ' A' 1143 ' ' CYS . 41.9 t 63.69 57.37 1.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.843 0.83 . . . . 0.58 110.184 -178.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -115.88 23.95 11.86 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.281 -0.872 . . . . 0.46 109.57 175.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 35.0 p 65.86 14.76 9.75 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.615 1.166 . . . . 1.34 112.43 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 34.7 t70 -135.01 133.72 39.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.39 -0.368 . . . . 1.21 110.446 174.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -75.37 108.64 8.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.201 -0.454 . . . . 2.73 110.36 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -94.37 -44.51 7.88 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 120.937 0.399 . . . . 1.28 110.713 -177.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1134 ' ' CYS . . . . . . . . . . . . . 86.2 m -84.13 62.55 7.16 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.02 -0.536 . . . . 1.57 111.161 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 63.57 -92.74 0.11 Allowed Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.919 -0.582 . . . . 1.82 112.448 178.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.59 -24.51 62.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.07 0.462 . . . . 2.85 110.578 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 92.74 46.56 3.39 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.624 -0.798 . . . . 0.82 112.709 176.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1138 ' ' SER . . . . . 0.658 ' O ' ' HG2' ' A' 1141 ' ' LYS . 15.1 p -62.41 -20.55 64.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.946 0.403 . . . . 1.17 110.843 178.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -72.62 -17.16 61.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.273 0.559 . . . . 0.33 110.8 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -95.05 -26.17 16.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.168 -0.469 . . . . 0.44 110.506 178.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1141 ' ' LYS . . . . . 0.658 ' HG2' ' O ' ' A' 1138 ' ' SER . 19.1 pttp -71.74 -23.44 61.61 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.176 -0.465 . . . . 2.08 111.644 -172.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -97.83 16.47 20.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.882 0.372 . . . . 2.44 111.346 -176.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1143 ' ' CYS . . . . . 0.406 ' HB2' ' HB2' ' A' 1128 ' ' CYS . 23.6 t -88.82 89.6 8.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.081 0.467 . . . . 1.67 110.191 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -84.58 -17.75 37.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.951 -0.568 . . . . 5.3 110.835 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 6.2 p -77.5 -82.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.891 -0.595 . . . . 6.23 110.75 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 26.0 p -91.46 72.78 6.04 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.918 -0.583 . . . . 8.4 111.27 -178.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -75.51 -16.71 60.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.114 -0.494 . . . . 9.87 110.323 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.45 -0.467 0 CA-C-N 115.809 -0.632 . . . . 11.53 110.14 174.424 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 19.2 m . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 120.49 0.186 . . . . 12.55 110.758 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -168.91 -38.28 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 121.322 -0.151 . . . . 11.83 111.117 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -55.45 122.16 42.57 Favored Pre-proline 0 C--O 1.235 0.292 0 CA-C-N 116.345 -0.389 . . . . 8.79 111.481 -179.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -79.05 152.21 24.33 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.775 2.317 . . . . 6.8 112.069 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -80.16 119.83 23.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.317 -0.401 . . . . 5.29 110.534 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 11.4 p -73.76 103.86 4.46 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.136 -0.484 . . . . 3.32 110.679 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 70.2 m -101.88 -166.97 1.35 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.065 -0.516 . . . . 0.94 111.019 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.9 tp -71.07 173.05 8.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.005 -0.543 . . . . 1.29 110.463 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -76.14 -37.11 58.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.89 0.376 . . . . 2.32 110.413 176.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 17.6 p -91.81 6.08 47.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.021 0.438 . . . . 1.19 111.046 175.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -100.61 158.02 16.25 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 121.475 0.655 . . . . 1.21 111.327 174.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1114 ' ' TYR . . . . . 0.579 ' HH ' HD22 ' A' 1142 ' ' ASN . 78.3 t80 -113.07 148.37 35.35 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.806 -1.088 . . . . 0.89 109.451 176.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 12.8 m -102.31 107.73 18.85 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.673 -0.694 . . . . 1.1 109.768 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 61.8 m -63.73 161.02 15.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.8 -0.636 . . . . 0.65 110.857 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 29.7 t70 -59.48 -30.82 68.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.26 0.553 . . . . 2.62 109.827 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 12.8 m120 -78.56 12.71 1.89 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.382 -0.826 . . . . 2.75 111.448 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 70.8 m80 61.7 49.41 4.95 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 122.784 0.434 . . . . 1.35 110.583 -179.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -122.81 147.41 46.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.124 -0.489 . . . . 1.99 110.332 -177.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 86.0 m -102.32 105.78 16.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.923 0.392 . . . . 0.42 111.128 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 45.7 pt -115.37 174.42 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.05 -0.523 . . . . 1.07 109.812 175.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 40.3 t -78.5 141.03 38.5 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.849 0.357 . . . . 0.63 110.225 176.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 64.1 mttm -64.95 -19.29 65.88 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.136 -0.484 . . . . 1.88 111.28 178.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -79.71 -8.0 58.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.963 0.411 . . . . 2.22 111.051 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 43.9 m0 -93.34 -17.61 23.36 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.737 -0.468 . . . . 0.67 109.737 177.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 92.7 t -64.21 121.16 12.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.845 -0.616 . . . . 1.06 111.036 -177.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1128 ' ' CYS . . . . . 0.4 ' HB2' ' HB2' ' A' 1143 ' ' CYS . 0.5 OUTLIER 63.32 43.45 6.15 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.393 -0.822 . . . . 0.58 111.255 175.552 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -102.54 21.72 14.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.731 -0.668 . . . . 0.46 109.642 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 76.7 p 59.22 28.9 18.35 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.566 1.146 . . . . 1.34 112.031 -177.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 37.9 t70 -142.44 130.12 21.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.873 -0.603 . . . . 1.21 110.129 175.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -76.87 103.44 6.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.719 0.295 . . . . 2.73 111.106 -177.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -88.65 -45.24 10.0 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.042 0.449 . . . . 1.28 110.084 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1134 ' ' CYS . . . . . . . . . . . . . 17.1 m -71.34 164.5 25.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.583 -0.735 . . . . 1.57 110.381 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -49.75 -51.15 29.58 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 121.412 -0.423 . . . . 1.82 113.103 -178.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -105.31 17.66 23.6 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.703 -0.293 . . . . 2.85 111.415 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 59.13 41.77 96.77 Favored Glycine 0 C--N 1.33 0.248 0 C-N-CA 121.013 -0.613 . . . . 0.82 112.446 -178.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1138 ' ' SER . . . . . 0.471 ' O ' ' HG2' ' A' 1141 ' ' LYS . 55.2 p -66.66 -25.5 66.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.96 0.41 . . . . 1.17 111.189 -177.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -70.84 -14.73 62.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.147 0.499 . . . . 0.33 110.519 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -102.76 -16.27 16.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.879 -0.601 . . . . 0.44 110.523 178.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1141 ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' 1138 ' ' SER . 17.9 pttp -85.83 -36.1 20.23 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.751 -0.38 . . . . 2.08 111.88 -172.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1142 ' ' ASN . . . . . 0.579 HD22 ' HH ' ' A' 1114 ' ' TYR . 2.3 p-10 -123.23 45.64 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.509 0.671 . . . . 2.44 110.803 -178.115 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1143 ' ' CYS . . . . . 0.4 ' HB2' ' HB2' ' A' 1128 ' ' CYS . 20.9 p -106.31 138.84 41.78 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.554 -0.748 . . . . 1.67 110.078 -177.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -78.08 132.32 37.68 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.489 -0.778 . . . . 5.3 109.108 174.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 3.3 p -74.11 121.97 21.98 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.944 0.402 . . . . 6.23 109.938 176.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 1.5 p -80.2 64.4 5.01 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.396 0.617 . . . . 8.4 111.105 -178.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -75.23 -39.22 60.19 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 115.172 -0.922 . . . . 9.87 109.668 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 5.0 m . . . . . 0 C--N 1.322 -0.597 0 CA-C-O 121.743 0.782 . . . . 11.53 109.416 179.513 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 121.037 0.446 . . . . 12.55 111.015 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -77.59 -33.02 53.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.046 -0.525 . . . . 11.83 110.464 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -84.41 125.31 72.19 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.092 -0.504 . . . . 8.79 110.295 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.23 132.9 53.06 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.08 2.52 . . . . 6.8 112.316 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -131.62 132.55 44.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.106 -0.497 . . . . 5.29 110.589 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 7.8 p -73.57 129.56 38.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.001 -0.545 . . . . 3.32 110.163 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 56.4 m -67.38 175.38 2.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.112 0.482 . . . . 0.94 111.279 -178.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.9 tp -61.44 160.42 11.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.86 -0.609 . . . . 1.29 110.548 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.7 -38.81 86.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.133 0.492 . . . . 2.32 109.847 174.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 13.4 p -94.13 9.24 38.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.659 -0.7 . . . . 1.19 111.487 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -103.26 157.39 17.05 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.611 0.719 . . . . 1.21 111.642 174.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1114 ' ' TYR . . . . . 0.46 ' O ' ' HA ' ' A' 1121 ' ' CYS . 90.2 t80 -111.02 154.05 24.73 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.579 -1.191 . . . . 0.89 109.749 178.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 4.6 m -106.51 101.63 11.08 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.028 -0.533 . . . . 1.1 110.024 -178.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1116 ' ' CYS . . . . . 0.43 ' HB2' ' HB3' ' A' 1120 ' ' GLN . 55.9 m -67.31 171.85 5.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.65 111.346 -178.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 27.8 t70 -51.78 -45.99 63.99 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 122.631 0.373 . . . . 2.62 111.745 -177.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -92.6 33.37 1.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.783 0.325 . . . . 2.75 111.459 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 34.0 m170 63.18 28.72 15.99 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.007 -0.542 . . . . 1.35 111.941 174.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1120 ' ' GLN . . . . . 0.43 ' HB3' ' HB2' ' A' 1116 ' ' CYS . 28.4 tp60 -87.81 125.22 34.33 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.907 -0.405 . . . . 1.99 109.907 177.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1121 ' ' CYS . . . . . 0.46 ' HA ' ' O ' ' A' 1114 ' ' TYR . 58.8 m -88.2 101.14 13.54 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.424 -0.353 . . . . 0.42 110.781 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1122 ' ' ILE . . . . . 0.402 HD13 ' SG ' ' A' 1134 ' ' CYS . 42.4 pt -103.0 172.26 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.737 -0.468 . . . . 1.07 109.737 174.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1123 ' ' SER . . . . . 0.423 ' HG ' ' HB2' ' A' 1125 ' ' ASN . 30.1 t -74.42 143.48 44.72 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.849 -0.426 . . . . 0.63 109.849 175.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 63.7 mttm -67.13 -15.34 63.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.494 -0.321 . . . . 1.88 110.79 177.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1125 ' ' ASN . . . . . 0.423 ' HB2' ' HG ' ' A' 1123 ' ' SER . 18.6 m120 -74.14 -14.04 60.91 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.097 0.475 . . . . 2.22 110.376 174.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1126 ' ' TRP . . . . . 0.477 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 47.3 m0 -97.24 -11.24 24.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.035 -0.53 . . . . 0.67 110.937 -177.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 60.9 t -73.54 118.49 18.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.37 -0.377 . . . . 1.06 111.267 -177.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1128 ' ' CYS . . . . . 0.456 ' HA ' ' OE1' ' A' 1140 ' ' GLU . 50.4 t 58.82 54.81 4.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.262 -0.881 . . . . 0.58 109.732 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -113.04 14.14 19.55 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.105 -0.952 . . . . 0.46 109.29 177.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 82.1 p 57.07 29.32 16.32 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 114.704 -1.135 . . . . 1.34 111.536 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 14.4 t70 -135.0 142.48 46.45 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.816 -0.629 . . . . 1.21 109.555 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -78.58 116.77 19.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.31 -0.404 . . . . 2.73 111.57 -174.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1133 ' ' ASP . . . . . 0.477 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.0 OUTLIER -133.66 -39.14 0.89 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.785 -0.643 . . . . 1.28 111.08 178.601 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1134 ' ' CYS . . . . . 0.655 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 88.2 m -77.09 34.76 0.16 Allowed 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.312 0.486 . . . . 1.57 112.312 177.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 73.41 -71.28 1.28 Allowed Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.841 -0.695 . . . . 1.82 112.438 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 13.8 t70 -93.08 -49.79 5.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.78 0.324 . . . . 2.85 110.192 177.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 133.94 40.9 0.17 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.712 -0.756 . . . . 0.82 112.828 175.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1138 ' ' SER . . . . . 0.428 ' O ' ' HG2' ' A' 1141 ' ' LYS . 80.0 p -66.3 -25.49 66.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.963 0.411 . . . . 1.17 111.027 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1139 ' ' ASP . . . . . 0.655 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 5.4 p-10 -68.33 -29.54 68.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.04 -0.527 . . . . 0.33 110.111 178.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1140 ' ' GLU . . . . . 0.456 ' OE1' ' HA ' ' A' 1128 ' ' CYS . 69.4 mm-40 -85.58 -36.3 20.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.733 -0.667 . . . . 0.44 110.442 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1141 ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' 1138 ' ' SER . 18.4 pttp -66.32 -32.88 74.56 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.216 -0.447 . . . . 2.08 111.742 -173.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 10.0 p30 -78.92 -5.75 54.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.109 0.481 . . . . 2.44 110.398 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 11.4 t -86.62 -2.54 58.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.958 -0.565 . . . . 1.67 110.112 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 4.4 p30 39.08 65.43 0.67 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.009 0.923 . . . . 5.3 113.068 174.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 91.6 p 60.2 133.97 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.715 1.206 . . . . 6.23 112.291 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1146 ' ' THR . . . . . 0.596 ' HB ' ' O ' ' A' 1148 ' ' THR . 33.3 p -68.3 98.24 0.8 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.5 -0.773 . . . . 8.4 111.314 -176.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -53.23 -42.6 66.57 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.25 -0.886 . . . . 9.87 109.785 171.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1148 ' ' THR . . . . . 0.596 ' O ' ' HB ' ' A' 1146 ' ' THR . 29.5 p . . . . . 0 C--N 1.321 -0.666 0 CA-C-N 114.959 -1.018 . . . . 11.53 109.213 177.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 38.0 m . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 120.308 0.099 . . . . 12.55 111.004 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 37.7 m80 54.36 56.28 7.1 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.992 0.425 . . . . 11.83 111.409 -179.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -79.2 137.77 56.45 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.024 -0.535 . . . . 8.79 110.139 178.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.75 125.41 14.24 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.62 2.213 . . . . 6.8 112.175 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -74.17 141.36 45.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.137 -0.483 . . . . 5.29 110.101 178.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 8.3 p -79.84 76.33 6.53 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.94 0.4 . . . . 3.32 111.164 -177.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 77.8 m 60.51 -164.89 0.22 Allowed 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.583 -0.735 . . . . 0.94 111.653 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1110 ' ' LEU . . . . . 0.554 ' HB2' HE21 ' A' 1113 ' ' GLN . 4.3 tp -61.2 162.56 7.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.62 -0.718 . . . . 1.29 110.457 177.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -65.65 -25.78 67.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.238 0.542 . . . . 2.32 110.182 176.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1112 ' ' THR . . . . . 0.465 ' O ' ' HG3' ' A' 1124 ' ' LYS . 10.8 p -105.26 10.29 33.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.769 -0.65 . . . . 1.19 111.274 176.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1113 ' ' GLN . . . . . 0.554 HE21 ' HB2' ' A' 1110 ' ' LEU . 26.9 mt-30 -115.12 152.68 32.12 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-O 121.945 0.879 . . . . 1.21 112.239 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1114 ' ' TYR . . . . . 0.466 ' O ' ' HA ' ' A' 1121 ' ' CYS . 62.0 t80 -104.45 149.85 25.07 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 113.937 -1.483 . . . . 0.89 109.707 178.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 8.7 m -101.44 103.19 14.09 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.763 -0.653 . . . . 1.1 109.643 178.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 61.3 m -68.28 163.25 23.33 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.67 -0.695 . . . . 0.65 110.662 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 18.1 t70 -56.85 -37.51 71.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.116 0.484 . . . . 2.62 111.044 -177.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -81.14 17.89 1.18 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.746 -0.661 . . . . 2.75 111.262 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 64.3 m80 63.87 27.05 14.43 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.092 0.557 . . . . 1.35 111.082 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -95.63 139.71 31.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.871 -0.604 . . . . 1.99 109.943 177.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1121 ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' 1114 ' ' TYR . 68.7 m -101.11 120.02 39.6 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.96 0.409 . . . . 0.42 110.925 -179.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 47.7 pt -118.95 168.33 11.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.28 -0.637 . . . . 1.07 109.28 174.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 39.2 t -73.37 141.1 47.03 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.291 -0.633 . . . . 0.63 109.291 175.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1124 ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' 1112 ' ' THR . 51.6 mttm -65.23 -20.37 66.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.039 -0.528 . . . . 1.88 110.504 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 11.5 t30 -69.76 -20.43 63.49 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.224 0.535 . . . . 2.22 110.412 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1126 ' ' TRP . . . . . 0.485 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 34.9 m0 -87.59 -13.27 43.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.973 -0.558 . . . . 0.67 110.444 -178.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 99.3 t -67.42 123.67 21.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.763 -0.653 . . . . 1.06 111.125 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1128 ' ' CYS . . . . . 0.498 ' HA ' ' OE1' ' A' 1140 ' ' GLU . 42.0 t 60.2 55.62 3.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.312 -0.858 . . . . 0.58 110.325 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -116.53 17.63 15.32 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.235 -0.893 . . . . 0.46 109.325 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 50.4 p 58.63 22.82 10.27 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 114.664 -1.153 . . . . 1.34 112.314 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 37.8 t70 -128.18 137.62 52.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.147 -0.479 . . . . 1.21 109.941 173.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 57.8 t30 -83.64 87.53 7.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.463 0.649 . . . . 2.73 110.99 -176.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1133 ' ' ASP . . . . . 0.485 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.0 OUTLIER -95.7 -27.77 15.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.24 -0.891 . . . . 1.28 110.269 179.128 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1134 ' ' CYS . . . . . 0.675 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 8.3 m -72.8 -14.34 61.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.05 -0.523 . . . . 1.57 111.608 175.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 78.41 -49.31 3.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.63 -0.795 . . . . 1.82 111.628 -176.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 24.6 t70 -82.13 -13.47 57.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.311 0.577 . . . . 2.85 110.385 176.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 76.26 16.55 80.62 Favored Glycine 0 C--N 1.33 0.2 0 CA-C-N 115.82 -0.627 . . . . 0.82 111.98 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1138 ' ' SER . . . . . 0.529 ' O ' ' HG2' ' A' 1141 ' ' LYS . 20.1 p -69.08 -16.93 63.8 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.367 0.506 . . . . 1.17 112.367 -173.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1139 ' ' ASP . . . . . 0.675 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 5.9 p-10 -81.45 -29.62 33.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.265 0.555 . . . . 0.33 109.91 178.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1140 ' ' GLU . . . . . 0.498 ' OE1' ' HA ' ' A' 1128 ' ' CYS . 63.6 mm-40 -86.31 -30.05 22.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.719 -0.673 . . . . 0.44 109.947 -178.29 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1141 ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' 1138 ' ' SER . 20.8 pttp -61.6 -38.5 87.79 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.824 -0.625 . . . . 2.08 111.682 -174.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1142 ' ' ASN . . . . . 0.472 HD21 ' C ' ' A' 1142 ' ' ASN . 0.3 OUTLIER -100.7 31.72 3.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.069 0.461 . . . . 2.44 111.417 -174.79 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 47.5 t -86.4 65.88 9.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.25 0.548 . . . . 1.67 109.623 176.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 24.3 p-10 -110.32 142.05 42.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.056 -0.52 . . . . 5.3 110.769 -179.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 33.7 p -164.23 -58.91 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.606 -0.725 . . . . 6.23 110.111 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 64.1 p -91.05 46.65 1.33 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.675 -0.693 . . . . 8.4 111.216 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -89.17 -23.72 22.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.713 -0.676 . . . . 9.87 110.844 -178.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.327 -0.402 0 CA-C-O 121.059 0.457 . . . . 11.53 110.937 179.414 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 121.087 0.47 . . . . 12.55 111.126 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 33.0 m80 -95.2 133.15 39.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.888 0.375 . . . . 11.83 110.617 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -97.46 143.92 27.03 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.826 -0.625 . . . . 8.79 109.862 178.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -59.86 129.9 32.58 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.675 2.25 . . . . 6.8 112.181 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -99.75 -162.34 0.94 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.862 -0.608 . . . . 5.29 110.602 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 8.7 p -54.32 153.69 5.17 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.085 0.469 . . . . 3.32 111.619 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 57.2 m -72.16 -173.18 1.01 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.84 -0.618 . . . . 0.94 111.866 -176.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 5.6 tp -50.05 158.9 0.48 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.645 0.778 . . . . 1.29 111.696 -179.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 15.0 t70 -69.31 -22.29 63.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.075 0.464 . . . . 2.32 110.444 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 12.7 p -101.71 3.22 39.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.027 -0.533 . . . . 1.19 110.807 173.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -106.36 163.21 13.02 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.478 0.656 . . . . 1.21 111.11 176.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 70.1 t80 -116.96 149.22 40.57 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.061 -0.972 . . . . 0.89 109.593 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 11.6 m -105.42 103.23 12.72 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.937 -0.574 . . . . 1.1 110.074 -177.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1116 ' ' CYS . . . . . 0.488 ' HB2' ' HB3' ' A' 1120 ' ' GLN . 38.0 m -72.31 174.88 6.69 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.582 -0.735 . . . . 0.65 111.485 -176.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -56.83 -45.85 82.07 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.077 0.399 . . . . 2.62 112.077 -174.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -88.18 25.39 1.62 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.131 0.491 . . . . 2.75 110.224 -177.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 34.2 m80 61.35 39.96 14.75 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.763 -0.653 . . . . 1.35 111.07 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1120 ' ' GLN . . . . . 0.488 ' HB3' ' HB2' ' A' 1116 ' ' CYS . 60.2 tt0 -92.4 137.84 32.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.827 -0.624 . . . . 1.99 109.466 175.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 71.4 m -101.36 103.48 14.43 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.914 0.388 . . . . 0.42 111.212 -177.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 45.1 pt -105.54 173.03 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.221 -0.659 . . . . 1.07 109.221 173.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 29.0 t -75.66 145.04 41.32 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.704 -0.48 . . . . 0.63 109.704 174.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 87.3 mttt -64.01 -18.27 64.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.758 0.313 . . . . 1.88 110.549 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -78.14 -12.81 60.02 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.261 -0.427 . . . . 2.22 110.46 177.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1126 ' ' TRP . . . . . 0.418 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 47.1 m0 -93.55 -9.96 36.45 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 116.204 -0.453 . . . . 0.67 110.479 178.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 59.9 t -74.21 126.29 34.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 116.48 -0.327 . . . . 1.06 110.951 -178.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 11.2 t 58.86 55.36 4.61 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 122.371 1.081 . . . . 0.58 109.683 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -122.62 15.21 10.26 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.743 -1.117 . . . . 0.46 109.866 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 69.9 p 58.89 30.5 20.23 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.218 1.007 . . . . 1.34 111.869 -178.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 35.6 t70 -129.08 135.65 49.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.845 -0.616 . . . . 1.21 109.606 174.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 7.8 t30 -84.71 82.42 8.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.299 0.571 . . . . 2.73 110.746 -175.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1133 ' ' ASP . . . . . 0.418 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.0 OUTLIER -98.04 -30.91 12.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.725 -0.67 . . . . 1.28 111.058 -178.448 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1134 ' ' CYS . . . . . 0.749 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 10.4 m -77.83 13.02 1.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.596 0.591 . . . . 1.57 112.596 178.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 77.2 -66.38 2.9 Favored Glycine 0 CA--C 1.517 0.174 0 C-N-CA 120.913 -0.661 . . . . 1.82 112.626 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 16.1 t70 -85.2 -21.8 28.99 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.286 0.565 . . . . 2.85 110.465 176.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 94.5 28.01 11.0 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.681 -0.771 . . . . 0.82 111.605 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1138 ' ' SER . . . . . . . . . . . . . 1.6 p -71.35 -0.75 10.86 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.836 0.31 . . . . 1.17 111.836 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1139 ' ' ASP . . . . . 0.749 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 4.3 p-10 -98.18 -21.09 16.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.445 0.641 . . . . 0.33 109.677 174.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -97.87 -23.35 15.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.55 -0.75 . . . . 0.44 110.241 -178.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1141 ' ' LYS . . . . . . . . . . . . . 53.7 pttt -62.96 -22.47 66.83 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.494 0.664 . . . . 2.08 110.687 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -116.88 35.88 4.43 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.174 -0.921 . . . . 2.44 109.789 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 42.3 t -82.84 -28.12 30.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.307 -0.86 . . . . 1.67 110.655 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -99.79 -5.76 28.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.045 0.45 . . . . 5.3 110.655 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 2.6 p -114.52 153.45 30.0 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.026 -0.534 . . . . 6.23 110.548 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 18.1 p -78.41 111.66 14.64 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.203 -0.453 . . . . 8.4 110.957 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.65 -24.96 33.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.908 -0.587 . . . . 9.87 109.605 178.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 12.2 p . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.052 -0.976 . . . . 11.53 111.53 -179.23 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 121.039 0.447 . . . . 12.55 110.619 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 55.4 t-80 65.91 104.8 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.735 -0.666 . . . . 11.83 110.861 -177.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -64.11 121.51 72.13 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.939 -0.573 . . . . 8.79 109.713 175.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -55.36 135.63 69.96 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.476 2.117 . . . . 6.8 111.41 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -76.81 64.9 2.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.33 0.586 . . . . 5.29 110.657 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 4.6 p -80.92 172.83 13.25 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.588 -0.733 . . . . 3.32 110.867 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 60.9 m -77.73 -167.47 0.98 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.986 -0.552 . . . . 0.94 111.644 -177.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1110 ' ' LEU . . . . . 0.405 ' CB ' ' HB2' ' A' 1113 ' ' GLN . 7.2 tp -51.7 157.88 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.442 -0.799 . . . . 1.29 111.304 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -65.9 -26.54 67.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.926 0.393 . . . . 2.32 110.691 178.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 12.5 p -98.97 -1.32 40.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.289 0.566 . . . . 1.19 110.657 175.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1113 ' ' GLN . . . . . 0.405 ' HB2' ' CB ' ' A' 1110 ' ' LEU . 72.1 mt-30 -100.49 162.11 13.15 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.493 0.663 . . . . 1.21 111.069 177.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 86.2 t80 -108.78 149.72 28.64 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 114.901 -1.045 . . . . 0.89 108.998 175.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 6.3 m -109.42 102.53 11.41 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.884 -0.598 . . . . 1.1 109.53 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 35.7 m -67.53 168.78 10.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.848 -0.615 . . . . 0.65 110.968 -177.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.22 -37.45 83.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.18 0.515 . . . . 2.62 110.396 -179.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -85.2 14.67 4.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.814 -0.63 . . . . 2.75 110.609 178.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 43.2 m80 66.73 26.73 9.48 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.677 -0.692 . . . . 1.35 111.99 175.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -78.85 141.53 37.62 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.472 -0.566 . . . . 1.99 109.472 173.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 73.1 m -105.94 102.17 11.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.945 0.403 . . . . 0.42 111.199 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 50.6 pt -112.31 178.72 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.129 -0.487 . . . . 1.07 109.906 176.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1123 ' ' SER . . . . . 0.408 ' HG ' ' HB2' ' A' 1125 ' ' ASN . 28.0 t -75.47 146.32 40.74 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.096 -0.335 . . . . 0.63 110.096 175.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 65.0 mttm -66.64 -23.87 66.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.441 -0.345 . . . . 1.88 110.621 175.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1125 ' ' ASN . . . . . 0.408 ' HB2' ' HG ' ' A' 1123 ' ' SER . 13.6 m120 -71.86 -18.22 62.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 2.22 110.681 178.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 45.1 m0 -87.57 -12.33 46.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.078 -0.51 . . . . 0.67 110.831 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 59.6 t -68.7 117.47 11.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.399 -0.364 . . . . 1.06 110.9 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1128 ' ' CYS . . . . . 0.449 ' HA ' ' OE1' ' A' 1140 ' ' GLU . 49.6 t 61.3 50.19 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.5 -0.773 . . . . 0.58 110.515 178.417 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -108.34 24.22 13.35 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.617 -0.72 . . . . 0.46 109.224 177.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 39.9 p 54.92 34.86 23.14 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.606 -1.179 . . . . 1.34 112.064 -179.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 13.5 t70 -146.19 129.83 17.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.855 -0.611 . . . . 1.21 109.717 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 26.9 t30 -71.25 117.45 12.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.708 0.29 . . . . 2.73 111.576 -175.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -119.15 -26.18 5.99 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.898 0.333 . . . . 1.28 111.898 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1134 ' ' CYS . . . . . 0.644 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 84.0 m -87.25 16.86 4.78 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.16 0.429 . . . . 1.57 112.16 -177.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 80.84 -64.37 4.12 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.56 -0.828 . . . . 1.82 111.834 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -79.18 -38.45 35.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.215 0.531 . . . . 2.85 110.232 174.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 112.07 27.87 3.82 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.638 -0.71 . . . . 0.82 112.792 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1138 ' ' SER . . . . . 0.428 ' HA ' ' HG2' ' A' 1141 ' ' LYS . 76.8 p -65.24 -22.29 66.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.739 0.304 . . . . 1.17 111.561 -177.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1139 ' ' ASP . . . . . 0.644 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 8.2 p-10 -75.1 -24.92 58.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.127 0.489 . . . . 0.33 110.354 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1140 ' ' GLU . . . . . 0.449 ' OE1' ' HA ' ' A' 1128 ' ' CYS . 80.7 mm-40 -90.53 -26.36 19.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.954 -0.566 . . . . 0.44 110.209 177.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1141 ' ' LYS . . . . . 0.428 ' HG2' ' HA ' ' A' 1138 ' ' SER . 15.4 pttp -78.47 -38.44 41.03 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.423 -0.353 . . . . 2.08 110.369 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 63.4 t30 -86.93 56.75 4.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.727 0.775 . . . . 2.44 109.654 -179.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 48.9 t -118.03 -31.08 5.16 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.249 -0.887 . . . . 1.67 110.082 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -88.72 72.56 8.63 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.74 0.781 . . . . 5.3 110.798 -178.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 11.9 p -89.92 -69.27 0.73 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.624 -0.717 . . . . 6.23 110.461 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 44.0 p -91.45 31.88 1.12 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.729 -0.669 . . . . 8.4 110.956 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -59.46 -27.26 65.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.573 -0.74 . . . . 9.87 110.921 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 25.9 p . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 115.819 -0.628 . . . . 11.53 111.27 -179.177 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 13.0 m . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 121.324 0.583 . . . . 12.55 110.6 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 30.6 m80 -138.06 91.63 2.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.98 -0.554 . . . . 11.83 109.916 178.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -89.45 130.49 43.45 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.975 -0.557 . . . . 8.79 111.022 -177.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.98 149.54 89.31 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.67 2.247 . . . . 6.8 111.133 173.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -78.5 51.42 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.354 0.597 . . . . 5.29 111.22 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 10.6 p -86.05 168.03 14.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.525 -0.762 . . . . 3.32 110.267 178.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 57.8 m -77.78 -178.21 5.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.904 0.383 . . . . 0.94 110.785 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1110 ' ' LEU . . . . . 0.579 ' HB2' HE21 ' A' 1113 ' ' GLN . 8.8 tp -67.33 167.06 13.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.928 -0.578 . . . . 1.29 110.575 -179.116 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -69.22 -38.85 78.75 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.668 -0.493 . . . . 2.32 109.668 176.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 10.4 p -86.02 -4.49 59.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.877 -0.602 . . . . 1.19 111.359 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1113 ' ' GLN . . . . . 0.579 HE21 ' HB2' ' A' 1110 ' ' LEU . 24.4 mt-30 -92.62 158.02 16.18 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.549 0.69 . . . . 1.21 111.325 177.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 74.0 t80 -110.07 148.66 31.3 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.817 -1.083 . . . . 0.89 109.616 178.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 7.2 m -104.18 113.34 26.82 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.65 -0.705 . . . . 1.1 110.195 -178.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1116 ' ' CYS . . . . . 0.545 ' SG ' ' HB3' ' A' 1120 ' ' GLN . 88.2 m -59.84 152.12 23.98 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.875 -0.602 . . . . 0.65 110.541 174.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 36.4 t70 -66.82 -15.13 63.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.392 0.615 . . . . 2.62 110.197 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -100.42 16.55 24.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.559 -0.746 . . . . 2.75 110.189 176.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 41.7 m170 61.13 77.53 0.32 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.221 -0.9 . . . . 1.35 111.35 -178.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1120 ' ' GLN . . . . . 0.545 ' HB3' ' SG ' ' A' 1116 ' ' CYS . 52.5 tt0 -145.18 144.2 30.73 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.109 -0.7 . . . . 1.99 109.109 176.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 66.8 m -100.72 109.12 21.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.046 0.45 . . . . 0.42 111.598 -175.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 40.5 pt -119.74 -179.13 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.081 -0.711 . . . . 1.07 109.081 172.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 36.5 t -84.94 144.02 28.61 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.881 -0.328 . . . . 0.63 110.346 177.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 66.5 mttm -65.24 -19.79 66.13 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.069 0.462 . . . . 1.88 110.594 176.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -79.35 -7.03 58.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.956 -0.565 . . . . 2.22 110.558 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 52.9 m0 -101.0 -7.62 23.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.926 -0.579 . . . . 0.67 110.561 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 92.2 t -67.39 117.56 9.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.965 -0.561 . . . . 1.06 111.317 -178.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 37.6 t 66.33 44.07 2.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.575 -0.739 . . . . 0.58 111.013 176.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -106.78 21.52 17.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.63 -0.714 . . . . 0.46 109.65 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 68.6 p 58.44 33.65 23.3 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.3 1.04 . . . . 1.34 111.875 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 12.3 t70 -141.62 138.43 32.56 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.128 -0.487 . . . . 1.21 110.473 175.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -86.95 73.14 9.98 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.871 0.367 . . . . 2.73 110.827 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -62.39 -21.49 65.4 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.406 0.622 . . . . 1.28 110.838 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1134 ' ' CYS . . . . . . . . . . . . . 14.1 t -100.31 6.28 44.58 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.346 -0.843 . . . . 1.57 110.963 -173.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 74.14 -73.25 1.32 Allowed Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 110.102 -1.199 . . . . 1.82 110.102 -170.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 22.6 t0 -90.95 88.59 7.09 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.854 -1.165 . . . . 2.85 107.854 167.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -68.29 80.09 0.21 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.378 -0.828 . . . . 0.82 114.245 -171.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1138 ' ' SER . . . . . . . . . . . . . 57.0 p -68.05 -18.58 64.72 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.271 -0.64 . . . . 1.17 109.271 171.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -72.59 -21.37 61.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.308 -0.86 . . . . 0.33 110.294 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -92.17 -35.27 13.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.009 -0.541 . . . . 0.44 109.918 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1141 ' ' LYS . . . . . . . . . . . . . 13.7 pttp -72.17 -29.55 64.13 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.974 -0.557 . . . . 2.08 110.502 -178.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -85.47 43.22 1.01 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.673 0.749 . . . . 2.44 109.306 178.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 49.9 t -141.01 10.13 2.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.333 -0.849 . . . . 1.67 110.371 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -135.11 176.98 8.17 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.453 -0.573 . . . . 5.3 109.453 177.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 66.7 p 52.04 -160.5 0.1 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.427 0.691 . . . . 6.23 111.62 -176.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 19.0 p -80.14 64.79 5.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.831 0.348 . . . . 8.4 111.775 -177.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.11 -38.49 85.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.132 0.491 . . . . 9.87 110.557 178.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.323 -0.555 0 N-CA-C 108.768 -0.827 . . . . 11.53 108.768 -176.933 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.473 0.71 0 CA-C-O 120.958 0.409 . . . . 12.55 110.704 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 70.1 m80 -81.73 -28.45 33.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.136 0.493 . . . . 11.83 110.06 178.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -85.34 141.56 37.06 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.496 -0.774 . . . . 8.79 110.933 -178.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -68.66 120.43 7.35 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.449 2.099 . . . . 6.8 110.756 172.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -137.37 -167.65 2.15 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.413 -0.358 . . . . 5.29 111.169 -174.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 5.8 p -67.81 161.91 25.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.062 -0.517 . . . . 3.32 111.066 177.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 86.4 m -78.8 -173.83 3.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.35 -0.386 . . . . 0.94 110.591 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 11.6 tp -63.74 168.9 4.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.832 0.349 . . . . 1.29 111.583 -177.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -61.58 -43.98 97.86 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.123 -0.49 . . . . 2.32 110.023 175.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 23.7 p -100.41 14.84 29.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 1.19 111.794 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -100.04 161.37 13.65 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.598 0.713 . . . . 1.21 111.704 174.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 80.0 t80 -110.99 150.06 29.81 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.588 -1.187 . . . . 0.89 109.099 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 17.0 m -104.13 112.15 25.04 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.165 -0.47 . . . . 1.1 109.853 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1116 ' ' CYS . . . . . 0.445 ' HB2' ' HB3' ' A' 1120 ' ' GLN . 80.7 m -73.35 -179.63 3.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.022 -0.536 . . . . 0.65 112.107 -177.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -60.31 -38.98 85.38 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.969 -0.559 . . . . 2.62 111.801 -175.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -103.44 33.1 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.665 0.246 . . . . 2.75 111.665 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 50.1 m80 63.93 28.31 14.48 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.182 -0.463 . . . . 1.35 111.981 177.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1120 ' ' GLN . . . . . 0.445 ' HB3' ' HB2' ' A' 1116 ' ' CYS . 6.5 tp-100 -82.32 137.1 34.89 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.126 -0.694 . . . . 1.99 109.126 174.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 73.0 m -99.09 108.88 21.63 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.162 0.506 . . . . 0.42 111.258 -177.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 41.1 pt -113.58 170.23 4.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.097 -0.705 . . . . 1.07 109.097 174.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 32.0 t -79.15 144.63 34.3 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 110.146 -0.316 . . . . 0.63 110.146 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 60.6 mttm -64.15 -16.61 62.23 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.205 -0.452 . . . . 1.88 110.742 176.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -73.68 -19.71 60.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.099 0.476 . . . . 2.22 110.173 177.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 44.5 m0 -88.19 -13.07 42.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.945 -0.57 . . . . 0.67 110.417 -178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 98.9 t -67.26 120.17 14.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.845 -0.616 . . . . 1.06 110.401 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1128 ' ' CYS . . . . . 0.456 ' HA ' ' OE1' ' A' 1140 ' ' GLU . 53.7 t 62.49 57.07 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.792 0.806 . . . . 0.58 110.44 -178.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -118.99 17.56 13.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.274 -0.875 . . . . 0.46 109.392 175.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 70.0 p 58.0 41.59 24.04 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 114.937 -1.029 . . . . 1.34 111.66 -178.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 12.9 t70 -146.46 140.32 26.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.594 -0.73 . . . . 1.21 109.714 173.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -84.1 81.27 8.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.083 0.468 . . . . 2.73 111.09 -176.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -76.99 -35.29 57.28 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.065 -0.717 . . . . 1.28 109.065 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1134 ' ' CYS . . . . . 0.43 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 81.6 m -92.82 162.85 13.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.081 -0.963 . . . . 1.57 109.797 174.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -62.28 119.21 16.91 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.796 -0.716 . . . . 1.82 111.58 177.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 36.6 t70 70.41 0.06 3.07 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.362 0.665 . . . . 2.85 111.013 -177.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 79.21 50.67 5.68 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 121.016 -0.611 . . . . 0.82 112.79 176.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1138 ' ' SER . . . . . 0.479 ' O ' ' HG2' ' A' 1141 ' ' LYS . 71.3 p -64.99 -20.93 66.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.003 0.43 . . . . 1.17 110.359 177.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1139 ' ' ASP . . . . . 0.43 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 7.0 p-10 -78.24 -19.79 53.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.33 110.639 177.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1140 ' ' GLU . . . . . 0.456 ' OE1' ' HA ' ' A' 1128 ' ' CYS . 74.3 mm-40 -94.73 -31.88 13.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.944 0.402 . . . . 0.44 110.439 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1141 ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' 1138 ' ' SER . 19.7 pttp -60.45 -28.44 68.3 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.972 -0.558 . . . . 2.08 112.117 -172.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 10.2 p30 -82.46 -3.71 56.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.142 0.496 . . . . 2.44 110.775 -178.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 23.4 t -109.76 72.29 0.79 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.975 -0.557 . . . . 1.67 110.211 -177.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 9.4 p30 -70.72 148.79 47.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.75 -0.659 . . . . 5.3 110.536 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 65.1 p -114.9 171.39 7.68 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.971 -0.559 . . . . 6.23 109.789 177.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 6.6 p -78.35 59.41 2.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.17 0.509 . . . . 8.4 111.373 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -83.59 -18.76 37.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.931 -0.577 . . . . 9.87 110.651 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 27.0 m . . . . . 0 N--CA 1.451 -0.415 0 CA-C-O 121.541 0.686 . . . . 11.53 110.653 -179.135 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 73.9 m . . . . . 0 C--O 1.235 0.331 0 CA-C-O 120.801 0.334 . . . . 0.72 111.174 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1110 ' ' LEU . . . . . 0.412 ' H ' ' HB2' ' A' 1113 ' ' GLN . 9.9 tp -72.87 168.25 19.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.278 -0.419 . . . . 0.52 110.652 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.91 -41.67 95.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.431 0.634 . . . . 2.32 109.97 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 6.3 p -90.16 -0.18 57.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.521 -0.763 . . . . 0.52 111.585 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1113 ' ' GLN . . . . . 0.449 ' O ' ' HE3' ' A' 1124 ' ' LYS . 76.7 mt-30 -97.59 153.01 18.46 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 121.722 0.773 . . . . 1.02 111.742 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 79.4 t80 -103.07 148.66 25.45 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.381 -1.281 . . . . 0.41 108.885 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 5.1 m -106.94 103.01 12.33 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 116.007 -0.542 . . . . 0.31 109.589 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1116 ' ' CYS . . . . . 0.43 ' HB3' ' OG ' ' A' 1138 ' ' SER . 32.3 m -65.79 169.92 5.92 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.622 -0.717 . . . . 0.65 111.102 -178.144 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 28.9 t70 -65.39 -30.84 71.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.324 0.583 . . . . 2.62 109.673 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -81.28 8.88 8.0 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.27 -0.877 . . . . 2.75 110.497 177.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 51.4 m80 68.39 20.05 8.71 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.763 -0.653 . . . . 1.05 111.707 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -78.82 146.28 33.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.177 -0.465 . . . . 1.91 110.139 177.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 85.3 m -107.86 99.93 9.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.932 0.396 . . . . 0.42 110.533 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 46.8 pt -113.13 174.63 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.271 -0.422 . . . . 0.19 110.297 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 23.4 t -71.59 141.55 50.01 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.937 0.399 . . . . 0.33 110.377 174.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1124 ' ' LYS . . . . . 0.449 ' HE3' ' O ' ' A' 1113 ' ' GLN . 97.9 mttt -67.51 -13.69 62.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 1.24 110.936 176.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 17.4 m120 -83.01 -9.95 59.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.96 0.41 . . . . 1.75 110.63 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 48.7 m0 -93.56 -14.32 26.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.144 -0.48 . . . . 0.58 110.468 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 69.6 t -65.76 119.17 10.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.969 -0.559 . . . . 0.24 111.052 -177.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 49.2 t 62.19 51.63 3.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.606 -0.725 . . . . 0.58 110.577 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -110.99 25.51 11.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.665 -0.698 . . . . 0.46 109.703 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 64.8 p 60.7 24.55 14.37 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.64 1.176 . . . . 0.73 112.515 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 26.7 t70 -147.6 119.12 7.93 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.763 -0.458 . . . . 1.21 109.763 173.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -64.99 120.59 12.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.103 0.477 . . . . 2.58 111.066 -177.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -102.2 -30.03 11.36 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.147 0.499 . . . . 1.28 110.515 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1134 ' ' CYS . . . . . 0.546 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 21.0 m -81.77 0.78 37.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.78 -0.645 . . . . 1.57 111.045 -178.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 82.48 -58.13 4.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.957 -0.64 . . . . 1.68 111.664 -176.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -73.5 -16.34 61.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.354 0.597 . . . . 2.85 110.094 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 80.89 23.11 60.18 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.44 -0.8 . . . . 0.62 112.465 176.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1138 ' ' SER . . . . . 0.477 ' O ' ' HG2' ' A' 1141 ' ' LYS . 4.9 p -66.31 -26.01 67.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.72 0.295 . . . . 0.44 111.402 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1139 ' ' ASP . . . . . 0.546 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 6.0 p-10 -72.46 -22.28 61.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.187 0.518 . . . . 0.33 110.175 176.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -92.02 -30.56 15.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.136 -0.483 . . . . 0.44 110.373 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1141 ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' 1138 ' ' SER . 17.3 pttp -71.42 -30.18 65.76 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.991 0.424 . . . . 1.55 110.544 -178.341 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 39.9 t30 . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 121.392 0.615 . . . . 2.05 109.441 178.073 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 63.7 m . . . . . 0 C--O 1.236 0.374 0 CA-C-O 120.902 0.382 . . . . 0.72 110.973 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.0 tp -69.76 164.24 23.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.346 -0.388 . . . . 0.52 110.64 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 17.3 t70 -61.42 -41.96 97.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.011 0.434 . . . . 2.32 110.388 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 22.9 p -94.84 8.18 43.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.127 -0.488 . . . . 0.52 111.64 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -100.97 156.07 17.6 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.508 0.67 . . . . 1.02 111.704 175.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 74.1 t80 -101.21 149.13 24.31 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.754 -1.112 . . . . 0.41 109.643 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 5.7 m -108.31 103.77 13.01 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.596 -0.729 . . . . 0.31 109.497 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 33.8 m -64.32 170.03 4.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.104 -0.498 . . . . 0.65 112.22 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 30.2 t70 -57.76 -44.35 86.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.226 0.536 . . . . 2.62 109.994 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 57.7 t30 -83.82 19.26 1.74 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.611 0.72 . . . . 2.75 110.464 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 52.8 m80 62.61 24.05 14.31 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.464 -0.789 . . . . 1.05 112.609 174.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -78.91 122.19 25.81 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.721 -0.474 . . . . 1.91 109.721 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 74.4 m -84.08 123.55 30.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.251 -0.432 . . . . 0.42 110.744 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 44.6 pt -135.83 174.03 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.916 -0.583 . . . . 0.19 109.448 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 28.7 t -70.2 138.6 51.9 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 110.025 -0.361 . . . . 0.33 110.025 175.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.61 -23.13 67.25 Favored 'General case' 0 N--CA 1.461 0.1 0 CA-C-O 121.075 0.464 . . . . 1.24 110.341 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -78.64 -8.69 58.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.879 -0.6 . . . . 1.75 110.097 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1126 ' ' TRP . . . . . 0.412 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 44.5 m0 -99.15 -2.73 36.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.801 -0.636 . . . . 0.58 110.764 179.408 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 86.2 t -73.13 123.44 28.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 116.293 -0.412 . . . . 0.24 110.934 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 4.6 t 62.72 49.26 3.85 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.493 -0.776 . . . . 0.58 110.379 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -117.32 16.41 14.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.83 -0.623 . . . . 0.46 110.581 -176.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 53.6 p 60.62 29.31 18.92 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.425 1.09 . . . . 0.73 112.184 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 16.1 t70 -130.5 138.32 50.19 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 109.83 -0.433 . . . . 1.21 109.83 171.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -84.48 48.54 1.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.213 0.449 . . . . 2.58 112.213 -178.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1133 ' ' ASP . . . . . 0.412 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.1 OUTLIER -51.46 -43.32 62.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.413 0.625 . . . . 1.28 110.128 169.027 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1134 ' ' CYS . . . . . . . . . . . . . 53.8 t -64.53 -14.95 59.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.773 -1.103 . . . . 1.57 111.911 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 78.36 -65.34 3.38 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.957 -0.639 . . . . 1.68 112.063 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -77.62 -16.29 58.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.359 0.599 . . . . 2.85 110.171 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 76.3 27.34 61.94 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.294 -0.866 . . . . 0.62 113.575 174.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1138 ' ' SER . . . . . . . . . . . . . 51.0 p -74.57 -19.83 60.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.236 0.518 . . . . 0.44 110.874 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -72.13 -28.7 63.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.377 0.608 . . . . 0.33 109.535 177.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -86.41 -17.83 33.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.392 -0.822 . . . . 0.44 110.626 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1141 ' ' LYS . . . . . . . . . . . . . 15.9 pttp -93.73 -30.3 14.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.039 0.447 . . . . 1.55 110.808 -176.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 5.7 t30 . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 116.029 -0.532 . . . . 2.05 110.106 -178.47 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 45.9 m . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 121.117 0.484 . . . . 0.72 111.37 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 5.6 tp -67.04 166.16 14.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.514 -0.766 . . . . 0.52 110.329 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.64 -37.56 85.09 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.054 0.454 . . . . 2.32 110.246 177.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 31.6 p -91.58 3.7 54.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.52 111.264 177.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1113 ' ' GLN . . . . . 0.412 ' O ' ' HE3' ' A' 1124 ' ' LYS . 71.7 mt-30 -98.44 152.47 19.48 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-O 121.733 0.778 . . . . 1.02 111.83 177.251 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 77.5 t80 -101.52 149.42 24.1 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.317 -1.311 . . . . 0.41 108.967 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 20.7 m -112.34 104.73 12.9 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 116.33 -0.395 . . . . 0.31 110.186 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 99.2 m -60.91 161.52 8.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.868 -0.606 . . . . 0.65 111.115 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 26.1 t70 -55.56 -47.97 75.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.701 0.286 . . . . 2.62 110.741 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -79.16 25.56 0.29 Allowed 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 111.974 0.361 . . . . 2.75 111.974 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 29.0 m80 58.66 63.56 1.65 Allowed 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.465 0.543 . . . . 1.05 112.465 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1120 ' ' GLN . . . . . 0.46 ' NE2' ' HA ' ' A' 1134 ' ' CYS . 45.0 tt0 -119.7 140.26 50.96 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.243 -0.651 . . . . 1.91 109.243 174.056 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 66.9 m -106.34 111.06 23.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.172 0.51 . . . . 0.42 111.376 -176.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1122 ' ' ILE . . . . . 0.464 HD13 ' HB2' ' A' 1134 ' ' CYS . 48.1 pt -123.72 179.54 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.618 -0.719 . . . . 0.19 109.242 175.281 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1123 ' ' SER . . . . . 0.43 ' HB3' ' CG ' ' A' 1126 ' ' TRP . 27.4 t -74.93 142.84 43.94 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.711 -0.396 . . . . 0.33 110.014 175.186 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1124 ' ' LYS . . . . . 0.412 ' HE3' ' O ' ' A' 1113 ' ' GLN . 93.4 mttt -66.65 -18.41 65.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.914 0.388 . . . . 1.24 111.109 178.215 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 64.5 t30 -78.69 -14.4 59.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.338 0.589 . . . . 1.75 110.113 176.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1126 ' ' TRP . . . . . 0.603 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 44.9 m0 -89.99 -3.29 58.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.997 -0.547 . . . . 0.58 111.096 -175.568 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 62.1 t -71.7 120.28 19.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.813 -0.63 . . . . 0.24 110.748 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 42.5 t 59.93 50.31 6.93 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.508 0.671 . . . . 0.58 110.166 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -113.77 11.49 18.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.871 -0.604 . . . . 0.46 110.43 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 76.7 p 60.16 23.22 12.52 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.023 0.929 . . . . 0.73 112.203 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -120.99 140.88 51.29 Favored 'General case' 0 C--O 1.244 0.795 0 N-CA-C 110.115 -0.328 . . . . 1.21 110.115 175.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -83.23 62.64 6.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.559 0.695 . . . . 2.58 110.842 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1133 ' ' ASP . . . . . 0.603 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.1 OUTLIER -71.07 -58.6 3.4 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.405 -0.816 . . . . 1.28 108.971 170.629 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1134 ' ' CYS . . . . . 0.464 ' HB2' HD13 ' A' 1122 ' ' ILE . 44.8 t -80.81 120.3 24.49 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.242 -0.89 . . . . 1.57 110.222 176.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -74.67 -21.33 78.82 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 111.375 -0.69 . . . . 1.68 111.375 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1136 ' ' ASP . . . . . 0.443 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 14.4 t70 -75.3 -26.69 58.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.307 0.575 . . . . 2.85 110.019 175.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 73.07 14.13 79.03 Favored Glycine 0 C--N 1.33 0.246 0 CA-C-N 115.435 -0.802 . . . . 0.62 113.634 172.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1138 ' ' SER . . . . . 0.412 ' O ' ' HG2' ' A' 1141 ' ' LYS . 5.3 p -79.48 -15.29 58.02 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.968 0.384 . . . . 0.44 111.007 -178.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1139 ' ' ASP . . . . . 0.416 ' OD1' ' HB3' ' A' 1134 ' ' CYS . 4.8 p-10 -73.52 -35.47 65.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.3 0.571 . . . . 0.33 109.608 176.396 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -79.72 -30.25 40.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.803 -0.635 . . . . 0.44 110.069 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1141 ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' 1138 ' ' SER . 14.0 pttp -75.96 -29.36 58.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.023 0.44 . . . . 1.55 110.091 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 121.728 0.775 . . . . 2.05 109.93 178.776 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 79.6 m . . . . . 0 N--CA 1.451 -0.406 0 CA-C-O 120.401 0.143 . . . . 0.72 110.781 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.2 tp -51.92 160.69 0.67 Allowed 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 123.449 0.7 . . . . 0.52 111.939 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 26.4 t70 -60.02 -37.67 80.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.17 0.509 . . . . 2.32 110.535 176.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 11.1 p -92.85 -0.86 57.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.947 -0.569 . . . . 0.52 111.416 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -100.14 159.3 15.21 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 121.658 0.742 . . . . 1.02 111.957 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 76.0 t80 -105.93 147.6 28.6 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.565 -1.198 . . . . 0.41 108.979 175.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 5.9 m -105.67 97.95 7.71 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 108.848 -0.797 . . . . 0.31 108.848 177.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 31.5 m -59.61 161.72 5.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.873 -0.603 . . . . 0.65 111.022 -176.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 22.0 t70 -57.15 -28.01 62.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.375 0.607 . . . . 2.62 110.638 178.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 4.3 m120 -89.85 18.2 5.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.444 -0.798 . . . . 2.75 110.996 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 33.6 m80 56.1 51.54 11.74 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.204 0.526 . . . . 1.05 110.747 -176.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -116.74 143.48 45.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.986 -0.552 . . . . 1.91 109.55 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 72.1 m -101.94 108.35 19.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.968 0.413 . . . . 0.42 111.504 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1122 ' ' ILE . . . . . 0.468 HD13 ' SG ' ' A' 1134 ' ' CYS . 42.9 pt -120.91 174.92 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.693 -0.685 . . . . 0.19 109.754 175.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 28.2 t -76.43 144.58 39.88 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.745 -0.465 . . . . 0.33 109.745 174.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 94.9 mttt -65.23 -21.17 66.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.488 -0.323 . . . . 1.24 110.803 177.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 17.9 m120 -78.31 -10.99 59.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.033 0.444 . . . . 1.75 110.501 176.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1126 ' ' TRP . . . . . 0.502 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 43.8 m0 -91.38 -12.67 34.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.017 -0.538 . . . . 0.58 110.097 178.44 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 59.1 t -71.09 122.32 22.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 116.226 -0.443 . . . . 0.24 111.193 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 35.4 t 64.07 49.45 2.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.614 0.721 . . . . 0.58 110.042 176.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -116.79 16.65 15.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.321 -0.854 . . . . 0.46 110.321 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 82.0 p 59.87 28.49 17.99 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.621 1.169 . . . . 0.73 112.418 -177.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -128.38 136.76 51.36 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.154 -0.475 . . . . 1.21 109.891 173.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -84.48 57.72 4.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.332 0.587 . . . . 2.58 111.569 -176.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1133 ' ' ASP . . . . . 0.502 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.1 OUTLIER -62.95 -36.33 83.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.674 -0.694 . . . . 1.28 110.871 175.824 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1134 ' ' CYS . . . . . 0.652 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 94.7 m -75.29 4.84 6.4 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.698 0.258 . . . . 1.57 111.698 175.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 78.76 -69.23 2.9 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.858 -0.687 . . . . 1.68 111.758 -177.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 5.6 t70 -68.44 -24.82 64.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.568 0.699 . . . . 2.85 110.399 174.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 80.32 32.64 34.27 Favored Glycine 0 N--CA 1.443 -0.889 0 N-CA-C 110.592 -1.003 . . . . 0.62 110.592 -173.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1138 ' ' SER . . . . . 0.464 ' HA ' ' HG2' ' A' 1141 ' ' LYS . 3.5 p -67.97 -24.58 65.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.87 0.367 . . . . 0.44 111.269 -178.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1139 ' ' ASP . . . . . 0.652 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 6.2 p-10 -67.15 -28.27 67.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.56 0.695 . . . . 0.33 109.304 173.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -82.66 -38.6 23.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.068 -0.969 . . . . 0.44 110.277 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1141 ' ' LYS . . . . . 0.464 ' HG2' ' HA ' ' A' 1138 ' ' SER . 41.6 pttt -75.23 -27.29 59.46 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.968 -0.56 . . . . 1.55 110.542 -177.181 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 13.9 t-20 . . . . . 0 C--N 1.326 -0.445 0 CA-C-O 121.628 0.728 . . . . 2.05 109.437 176.473 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 85.6 m . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.723 0.297 . . . . 0.72 110.828 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1110 ' ' LEU . . . . . 0.411 ' HB3' ' HG3' ' A' 1113 ' ' GLN . 9.2 tp -58.66 162.94 3.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.162 -0.472 . . . . 0.52 110.423 177.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.55 -47.98 83.78 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.549 -0.46 . . . . 2.32 110.008 176.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 22.2 p -82.29 -3.2 54.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.821 -0.627 . . . . 0.52 111.616 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1113 ' ' GLN . . . . . 0.411 ' HG3' ' HB3' ' A' 1110 ' ' LEU . 73.5 mt-30 -91.39 152.7 20.3 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.547 0.689 . . . . 1.02 111.6 177.503 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 87.3 t80 -101.92 148.01 25.84 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.577 -1.192 . . . . 0.41 108.962 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 7.2 m -111.32 104.94 13.46 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 116.019 -0.537 . . . . 0.31 109.727 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1116 ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' 1120 ' ' GLN . 71.9 m -59.8 160.3 7.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.139 -0.482 . . . . 0.65 111.415 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -56.4 -44.39 80.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.86 0.362 . . . . 2.62 110.524 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -83.15 16.2 2.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 2.75 111.511 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 58.6 m80 66.72 83.79 0.16 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.287 0.635 . . . . 1.05 112.031 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1120 ' ' GLN . . . . . 0.468 ' HB3' ' SG ' ' A' 1116 ' ' CYS . 59.2 tp60 -142.6 131.28 22.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.493 -0.776 . . . . 1.91 108.936 175.138 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 62.6 m -94.78 111.48 23.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.937 0.399 . . . . 0.42 111.262 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1122 ' ' ILE . . . . . 0.417 HD13 ' HB2' ' A' 1134 ' ' CYS . 44.8 pt -124.27 -176.94 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.135 -0.691 . . . . 0.19 109.135 173.288 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 29.6 t -78.75 143.46 36.13 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.8 0.333 . . . . 0.33 110.342 175.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 95.8 mttt -67.43 -16.04 64.01 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.885 0.374 . . . . 1.24 110.383 174.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 65.3 t30 -76.75 -17.5 59.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.411 0.624 . . . . 1.75 109.55 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 43.4 m0 -89.24 -7.8 54.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.547 -0.751 . . . . 0.58 110.653 -178.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1127 ' ' VAL . . . . . 0.43 ' HA ' ' HB2' ' A' 1139 ' ' ASP . 90.2 t -70.67 111.4 4.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 116.047 -0.524 . . . . 0.24 110.676 178.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 48.5 t 64.85 47.07 2.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.698 0.761 . . . . 0.58 109.941 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -109.43 18.65 20.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.576 -0.738 . . . . 0.46 110.481 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 68.5 p 52.9 42.15 32.02 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 123.669 0.788 . . . . 0.73 111.352 -177.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 12.3 t70 -139.27 147.35 41.56 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 116.054 -0.521 . . . . 1.21 109.775 175.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -86.31 36.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.725 0.641 . . . . 2.58 112.698 -171.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1133 ' ' ASP . . . . . 0.524 ' O ' ' HB3' ' A' 1134 ' ' CYS . 0.7 OUTLIER -62.7 169.54 3.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.597 -0.52 . . . . 1.28 109.597 169.122 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1134 ' ' CYS . . . . . 0.524 ' HB3' ' O ' ' A' 1133 ' ' ASP . 42.2 t 73.26 154.2 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.684 0.615 . . . . 1.57 110.16 -176.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -95.49 30.4 8.34 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.548 -0.834 . . . . 1.68 112.167 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 20.9 t70 -158.25 -47.15 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.8 0.333 . . . . 2.85 111.273 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 104.83 11.12 31.12 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.723 -0.751 . . . . 0.62 112.003 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1138 ' ' SER . . . . . 0.442 ' O ' ' HG2' ' A' 1141 ' ' LYS . 63.4 p -64.96 -16.04 62.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.095 0.474 . . . . 0.44 110.979 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1139 ' ' ASP . . . . . 0.43 ' HB2' ' HA ' ' A' 1127 ' ' VAL . 7.6 p-10 -73.61 -34.83 65.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.763 -0.653 . . . . 0.33 109.98 177.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -81.26 -29.36 34.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.899 -0.591 . . . . 0.44 110.096 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1141 ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' 1138 ' ' SER . 14.2 pttp -74.31 -31.69 62.57 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.078 -0.51 . . . . 1.55 110.884 -177.235 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 5.4 t30 . . . . . 0 C--O 1.235 0.312 0 CA-C-O 121.467 0.651 . . . . 2.05 109.518 179.785 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 64.2 m . . . . . 0 C--O 1.236 0.374 0 N-CA-C 109.703 -0.48 . . . . 0.72 109.703 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 7.8 tp -54.44 158.1 2.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.784 -0.644 . . . . 0.52 110.826 176.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.8 -25.9 68.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.282 -0.417 . . . . 2.32 110.912 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 19.3 p -104.72 4.14 32.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.208 -0.451 . . . . 0.52 111.036 177.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -100.84 155.33 17.99 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.384 0.611 . . . . 1.02 111.415 177.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 76.2 t80 -106.81 152.54 23.73 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.87 -1.059 . . . . 0.41 109.147 177.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 20.4 m -115.38 99.07 7.11 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 116.118 -0.492 . . . . 0.31 109.893 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1116 ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 88.7 m -74.18 -175.38 2.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.761 -0.654 . . . . 0.65 112.466 -177.172 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -53.88 -42.99 69.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.682 -0.69 . . . . 2.62 111.674 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -85.74 18.45 2.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.679 -0.237 . . . . 2.75 111.158 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 32.6 m170 58.42 27.93 16.15 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.186 0.517 . . . . 1.05 109.813 -173.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -72.62 112.28 8.52 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.342 -0.844 . . . . 1.91 109.298 -177.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 71.2 m -80.81 98.12 7.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.352 0.596 . . . . 0.42 110.526 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1122 ' ' ILE . . . . . 0.532 HD13 ' SG ' ' A' 1134 ' ' CYS . 48.4 pt -112.57 175.84 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.312 -0.858 . . . . 0.19 109.192 176.352 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 16.5 t -74.52 146.21 42.85 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.493 -0.483 . . . . 0.33 109.898 175.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.63 -13.68 59.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 1.24 110.271 174.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -85.1 -16.09 41.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.041 -0.527 . . . . 1.75 110.367 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1126 ' ' TRP . . . . . 0.589 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 44.2 m0 -89.5 -9.93 48.18 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 121.386 0.612 . . . . 0.58 109.96 178.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 95.0 t -69.32 118.38 13.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.212 -0.904 . . . . 0.24 109.958 175.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 41.4 t 65.42 48.21 2.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.784 -0.644 . . . . 0.58 109.935 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -112.35 9.14 19.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.824 -0.626 . . . . 0.46 110.112 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 56.2 p 55.37 25.19 7.33 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.189 0.996 . . . . 0.73 112.574 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 23.3 t70 -128.98 140.0 51.84 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.29 -0.633 . . . . 1.21 109.29 173.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -77.24 102.24 6.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.45 0.643 . . . . 2.58 111.728 -171.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1133 ' ' ASP . . . . . 0.589 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.2 OUTLIER -115.43 -21.64 9.71 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.204 -0.907 . . . . 1.28 109.778 174.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1134 ' ' CYS . . . . . 0.532 ' SG ' HD13 ' A' 1122 ' ' ILE . 96.4 m -120.75 141.33 50.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.083 -0.508 . . . . 1.57 110.771 175.187 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -51.77 -64.8 3.63 Favored Glycine 0 C--N 1.335 0.512 0 N-CA-C 114.256 0.462 . . . . 1.68 114.256 -172.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 13.5 t70 -66.25 -15.48 63.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.203 0.525 . . . . 2.85 111.607 -177.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 71.16 32.15 65.86 Favored Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 109.938 -1.265 . . . . 0.62 109.938 -170.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1138 ' ' SER . . . . . 0.439 ' HA ' ' CD ' ' A' 1141 ' ' LYS . 8.6 p -68.46 -26.07 65.31 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.028 -0.586 . . . . 0.44 111.059 -176.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1139 ' ' ASP . . . . . 0.407 ' HB3' ' SG ' ' A' 1116 ' ' CYS . 8.9 p-10 -68.79 -33.82 74.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.819 -0.628 . . . . 0.33 109.588 174.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -78.51 -39.86 36.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.783 -0.644 . . . . 0.44 110.181 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1141 ' ' LYS . . . . . 0.439 ' CD ' ' HA ' ' A' 1138 ' ' SER . 46.6 pttt -68.7 -25.96 65.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.047 -0.524 . . . . 1.55 110.778 -176.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 6.7 t30 . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 122.031 0.92 . . . . 2.05 109.01 175.53 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 95.4 m . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.566 0.222 . . . . 0.72 111.44 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 7.8 tp -48.01 151.26 0.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 123.21 0.604 . . . . 0.52 111.296 -175.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 32.8 t70 -61.77 -27.06 68.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.175 0.512 . . . . 2.32 110.312 177.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 6.8 p -99.03 5.0 47.29 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.792 -0.64 . . . . 0.52 111.16 176.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1113 ' ' GLN . . . . . 0.426 ' HA ' ' O ' ' A' 1122 ' ' ILE . 65.0 mt-30 -99.09 146.65 25.87 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.746 0.784 . . . . 1.02 111.808 176.274 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1114 ' ' TYR . . . . . 0.554 ' O ' ' HA ' ' A' 1121 ' ' CYS . 77.7 t80 -107.04 144.41 33.73 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.503 -1.226 . . . . 0.41 108.788 175.5 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 3.0 m -96.83 100.93 12.45 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 109.22 -0.659 . . . . 0.31 109.22 -178.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1116 ' ' CYS . . . . . 0.47 ' HB2' ' O ' ' A' 1120 ' ' GLN . 47.3 m -68.06 171.86 6.36 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.594 0.961 . . . . 0.65 113.594 -172.429 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1117 ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' 1118 ' ' ASN . 2.0 p30 -49.83 -50.08 46.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.437 -1.256 . . . . 2.62 111.474 172.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1118 ' ' ASN . . . . . 0.426 ' N ' ' OD1' ' A' 1117 ' ' ASP . 11.5 t-20 -76.41 8.24 3.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.813 -0.63 . . . . 2.75 111.198 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 56.5 m80 70.14 3.89 4.59 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.329 0.652 . . . . 1.05 111.255 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1120 ' ' GLN . . . . . 0.47 ' O ' ' HB2' ' A' 1116 ' ' CYS . 51.1 tp60 -72.93 137.17 45.38 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.484 -0.932 . . . . 1.91 108.484 173.041 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1121 ' ' CYS . . . . . 0.554 ' HA ' ' O ' ' A' 1114 ' ' TYR . 88.1 m -105.6 119.09 38.24 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.715 0.769 . . . . 0.42 111.376 -177.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1122 ' ' ILE . . . . . 0.445 ' HB ' ' CE3' ' A' 1126 ' ' TRP . 40.1 pt -109.79 173.74 2.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 114.496 -1.229 . . . . 0.19 109.44 -177.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 46.9 t -74.76 136.76 41.71 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.098 -0.705 . . . . 0.33 109.098 174.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.31 -21.34 63.88 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.802 0.334 . . . . 1.24 110.752 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -63.91 -26.44 68.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.874 -0.603 . . . . 1.75 110.95 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1126 ' ' TRP . . . . . 0.445 ' CE3' ' HB ' ' A' 1122 ' ' ILE . 33.3 m0 -82.04 -18.83 41.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.063 0.459 . . . . 0.58 110.383 -178.087 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 84.2 t -65.9 118.74 9.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.897 -0.592 . . . . 0.24 110.748 -177.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 41.9 t 66.82 53.98 0.83 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.463 -0.79 . . . . 0.58 110.335 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -117.48 27.08 9.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.426 -0.807 . . . . 0.46 110.144 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 41.1 p 53.37 38.29 27.5 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.077 -0.965 . . . . 0.73 112.026 -177.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -152.24 130.69 12.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.793 -0.64 . . . . 1.21 110.137 176.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -74.35 101.75 4.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.506 0.193 . . . . 2.58 111.147 -177.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -93.87 -37.99 11.45 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.867 0.365 . . . . 1.28 110.227 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1134 ' ' CYS . . . . . 0.675 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 61.5 m -72.33 -177.75 2.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.96 -0.564 . . . . 1.57 110.763 177.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -71.88 -52.18 12.66 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.538 -0.839 . . . . 1.68 111.886 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -92.99 -27.36 17.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.329 0.585 . . . . 2.85 109.968 178.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 111.05 30.68 3.1 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.497 -0.774 . . . . 0.62 111.661 178.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1138 ' ' SER . . . . . 0.464 ' HA ' ' HG2' ' A' 1141 ' ' LYS . 92.0 p -62.79 -27.03 69.02 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.444 0.298 . . . . 0.44 111.584 -176.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1139 ' ' ASP . . . . . 0.675 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 5.0 p-10 -67.0 -26.83 66.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.294 0.569 . . . . 0.33 110.384 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -87.66 -31.9 19.52 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.967 -0.561 . . . . 0.44 110.604 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1141 ' ' LYS . . . . . 0.464 ' HG2' ' HA ' ' A' 1138 ' ' SER . 16.5 pttp -75.06 -29.98 60.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.178 0.513 . . . . 1.55 110.187 -178.509 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 5.5 t30 . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.72 -0.673 . . . . 2.05 109.693 178.81 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 38.6 m . . . . . 0 C--O 1.234 0.271 0 CA-C-O 120.594 0.235 . . . . 0.72 110.543 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 11.5 tp -60.94 162.03 7.49 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.453 -0.34 . . . . 0.52 110.817 -178.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -62.19 -39.45 92.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.403 0.62 . . . . 2.32 109.699 176.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 14.2 p -96.92 6.78 48.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.358 -0.837 . . . . 0.52 111.544 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1113 ' ' GLN . . . . . 0.696 ' OE1' ' HB3' ' A' 1121 ' ' CYS . 53.0 mt-30 -99.99 160.71 14.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.127 0.489 . . . . 1.02 111.317 174.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1114 ' ' TYR . . . . . 0.424 ' O ' ' HA ' ' A' 1121 ' ' CYS . 66.9 t80 -113.81 154.4 27.49 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.41 -0.814 . . . . 0.41 110.04 178.449 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 7.5 m -109.97 107.3 17.15 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.991 -0.549 . . . . 0.31 109.944 177.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 92.6 m -75.84 175.87 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.508 -0.315 . . . . 0.65 111.529 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -62.9 -28.47 70.07 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.161 0.505 . . . . 2.62 110.659 -178.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -82.62 9.43 9.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.868 -0.606 . . . . 2.75 110.39 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 67.1 m80 63.03 26.59 15.53 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.888 -0.596 . . . . 1.05 110.332 -176.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -85.97 130.63 34.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.325 -0.852 . . . . 1.91 109.97 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1121 ' ' CYS . . . . . 0.696 ' HB3' ' OE1' ' A' 1113 ' ' GLN . 61.6 m -94.76 102.18 14.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.988 0.423 . . . . 0.42 110.992 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 45.5 pt -110.74 173.92 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.105 -0.498 . . . . 0.19 110.231 176.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 10.5 t -72.08 141.31 49.23 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 110.056 -0.35 . . . . 0.33 110.056 175.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1124 ' ' LYS . . . . . 0.48 ' HE3' ' O ' ' A' 1113 ' ' GLN . 92.2 mttt -65.57 -16.32 63.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.759 0.314 . . . . 1.24 110.602 176.222 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -77.12 -22.22 53.0 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.184 0.516 . . . . 1.75 109.816 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1126 ' ' TRP . . . . . 0.52 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 50.5 m0 -86.47 -10.31 54.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.859 -0.609 . . . . 0.58 110.469 -178.256 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1127 ' ' VAL . . . . . 0.415 ' HA ' ' OD2' ' A' 1139 ' ' ASP . 93.9 t -69.84 121.69 19.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.856 -0.611 . . . . 0.24 110.685 178.613 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 28.1 t 64.42 49.6 2.44 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.601 0.715 . . . . 0.58 110.207 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -114.32 14.66 18.05 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.576 -0.738 . . . . 0.46 110.318 -178.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 72.8 p 57.41 29.84 17.61 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.961 0.905 . . . . 0.73 112.133 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 14.5 t70 -133.46 140.79 47.48 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 116.244 -0.434 . . . . 1.21 109.974 174.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 10.0 m120 -84.41 67.87 10.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.334 0.588 . . . . 2.58 111.533 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1133 ' ' ASP . . . . . 0.52 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.0 OUTLIER -62.95 -45.6 91.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.342 -0.845 . . . . 1.28 108.892 169.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1134 ' ' CYS . . . . . . . . . . . . . 70.1 m -94.89 136.54 35.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.635 -0.711 . . . . 1.57 109.67 169.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -52.28 -54.7 25.46 Favored Glycine 0 C--O 1.236 0.244 0 C-N-CA 121.448 -0.406 . . . . 1.68 113.868 -170.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -83.91 0.94 45.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.902 0.382 . . . . 2.85 111.829 -175.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 59.96 40.76 97.36 Favored Glycine 0 N--CA 1.453 -0.232 0 CA-C-N 115.653 -0.703 . . . . 0.62 113.071 175.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1138 ' ' SER . . . . . 0.568 ' O ' ' HG2' ' A' 1141 ' ' LYS . 2.1 p -74.38 -16.05 60.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.996 0.427 . . . . 0.44 110.827 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1139 ' ' ASP . . . . . 0.415 ' OD2' ' HA ' ' A' 1127 ' ' VAL . 4.5 p-10 -73.71 -35.08 65.07 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.138 -0.69 . . . . 0.33 109.138 174.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -72.32 -39.56 68.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.435 -0.802 . . . . 0.44 109.873 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1141 ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' 1138 ' ' SER . 15.2 pttp -66.49 -28.68 68.77 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.259 0.552 . . . . 1.55 109.871 178.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 5.3 t30 . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 115.516 -0.765 . . . . 2.05 109.185 177.314 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.236 0.362 0 CA-C-O 120.912 0.387 . . . . 0.72 111.693 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 9.3 tp -57.5 157.84 6.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.664 -0.698 . . . . 0.52 110.552 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -66.96 -26.58 66.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.053 0.454 . . . . 2.32 109.798 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 6.5 p -99.42 1.8 44.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.73 -0.668 . . . . 0.52 111.18 177.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -100.37 164.89 11.72 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.263 0.554 . . . . 1.02 111.115 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 71.0 t80 -109.15 150.34 28.01 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.037 -0.983 . . . . 0.41 109.639 173.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 9.6 m -113.41 103.25 11.1 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.704 -0.68 . . . . 0.31 109.614 178.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 76.5 m -66.34 169.3 7.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.428 -0.351 . . . . 0.65 111.337 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 15.1 t70 -54.74 -47.02 74.35 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.565 -0.289 . . . . 2.62 111.775 -172.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -88.44 30.12 0.92 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.801 0.334 . . . . 2.75 111.551 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 64.0 m170 59.76 64.33 1.32 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.709 -0.678 . . . . 1.05 112.108 175.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1120 ' ' GLN . . . . . 0.497 ' HA ' ' OE1' ' A' 1120 ' ' GLN . 6.0 tp60 -118.46 128.38 54.55 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.601 -0.518 . . . . 1.91 109.601 173.176 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 75.2 m -90.38 112.62 24.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.937 -0.574 . . . . 0.42 110.997 -178.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1122 ' ' ILE . . . . . 0.438 HD13 ' SG ' ' A' 1134 ' ' CYS . 38.3 pt -129.88 169.95 19.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.713 -0.676 . . . . 0.19 110.07 177.111 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 13.1 t -70.83 144.68 50.7 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.869 -0.419 . . . . 0.33 109.869 175.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 97.1 mttt -68.65 -11.05 59.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.368 . . . . 1.24 110.138 175.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -79.56 -20.47 46.98 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.21 0.528 . . . . 1.75 109.841 174.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1126 ' ' TRP . . . . . 0.475 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 46.0 m0 -87.55 -13.71 42.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.766 -0.652 . . . . 0.58 110.336 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 89.5 t -69.98 120.49 17.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.118 -0.492 . . . . 0.24 110.416 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 41.9 t 63.59 48.89 3.22 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.627 0.727 . . . . 0.58 110.368 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -114.34 12.35 17.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.661 -0.7 . . . . 0.46 109.723 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 57.9 p 56.19 31.41 18.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.815 -1.084 . . . . 0.73 112.318 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 21.7 t70 -131.07 146.65 52.45 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-N 116.347 -0.388 . . . . 1.21 110.195 174.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -82.69 88.25 6.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.697 -0.683 . . . . 2.58 111.218 -176.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1133 ' ' ASP . . . . . 0.475 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.0 OUTLIER -98.09 -18.83 18.31 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.607 -0.724 . . . . 1.28 110.19 178.459 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1134 ' ' CYS . . . . . 0.438 ' SG ' HD13 ' A' 1122 ' ' ILE . 87.8 m -118.98 146.39 45.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.939 -0.573 . . . . 1.57 110.095 175.112 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -79.88 47.39 3.31 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 121.164 -0.541 . . . . 1.68 112.963 -176.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 3.9 p30 -164.91 -35.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 122.607 0.363 . . . . 2.85 110.671 178.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 90.68 18.3 48.68 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.087 -0.578 . . . . 0.62 111.898 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1138 ' ' SER . . . . . 0.53 ' O ' ' HG2' ' A' 1141 ' ' LYS . 37.3 p -69.05 -22.77 64.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.563 0.22 . . . . 0.44 111.397 -177.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1139 ' ' ASP . . . . . 0.515 ' HA ' ' ND2' ' A' 1142 ' ' ASN . 3.3 p-10 -69.17 -32.76 72.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.347 0.594 . . . . 0.33 109.814 176.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -79.65 -26.55 41.03 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.713 -0.676 . . . . 0.44 110.377 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1141 ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' 1138 ' ' SER . 54.2 pttt -82.69 -26.96 31.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.319 -0.401 . . . . 1.55 111.679 -174.009 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1142 ' ' ASN . . . . . 0.515 ' ND2' ' HA ' ' A' 1139 ' ' ASP . 7.8 p30 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.057 0.456 . . . . 2.05 110.644 -178.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 38.5 m . . . . . 0 N--CA 1.449 -0.518 0 CA-C-O 120.565 0.221 . . . . 0.72 110.503 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.2 tp -56.93 151.16 15.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.97 -0.559 . . . . 0.52 109.949 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.12 -23.54 67.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.978 0.418 . . . . 2.32 110.337 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1112 ' ' THR . . . . . 0.576 ' O ' ' HG3' ' A' 1124 ' ' LYS . 5.1 p -100.93 7.47 43.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.07 -0.514 . . . . 0.52 111.095 175.246 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1113 ' ' GLN . . . . . 0.713 ' OE1' ' HB3' ' A' 1121 ' ' CYS . 59.2 mt-30 -105.87 167.67 9.63 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.272 0.558 . . . . 1.02 110.896 173.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 61.3 t80 -107.76 151.12 26.13 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.356 -0.838 . . . . 0.41 110.013 177.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 10.6 m -108.16 114.09 27.71 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.565 -0.743 . . . . 0.31 109.746 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 23.6 m -76.12 167.56 21.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.584 -0.28 . . . . 0.65 110.848 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 25.2 t70 -56.88 -36.86 70.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.235 0.54 . . . . 2.62 110.68 177.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -79.83 12.74 2.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.8 -0.636 . . . . 2.75 111.248 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 39.1 m80 63.98 26.44 14.12 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 122.765 0.426 . . . . 1.05 110.883 -177.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -87.83 151.91 22.5 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.378 -0.601 . . . . 1.91 109.378 178.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1121 ' ' CYS . . . . . 0.713 ' HB3' ' OE1' ' A' 1113 ' ' GLN . 60.0 m -113.18 113.59 25.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.099 0.476 . . . . 0.42 111.577 -176.16 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1122 ' ' ILE . . . . . 0.413 ' HB ' ' CE3' ' A' 1126 ' ' TRP . 38.5 pt -120.83 169.2 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.836 -0.62 . . . . 0.19 109.734 177.612 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 14.3 t -72.63 145.9 46.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.868 0.366 . . . . 0.33 110.127 175.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1124 ' ' LYS . . . . . 0.576 ' HG3' ' O ' ' A' 1112 ' ' THR . 49.8 mttm -67.78 -15.8 63.81 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.096 -0.502 . . . . 1.24 110.556 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 16.1 m120 -74.13 -22.24 59.54 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 120.982 0.42 . . . . 1.75 110.71 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1126 ' ' TRP . . . . . 0.413 ' CE3' ' HB ' ' A' 1122 ' ' ILE . 36.0 m0 -79.88 -23.42 41.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.118 -0.492 . . . . 0.58 110.189 -178.428 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 67.0 t -64.16 116.61 3.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.101 -0.499 . . . . 0.24 111.031 -176.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1128 ' ' CYS . . . . . 0.415 ' HA ' ' OE1' ' A' 1140 ' ' GLU . 41.6 t 64.36 52.08 1.94 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 122.114 0.959 . . . . 0.58 110.179 178.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -110.19 14.11 22.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.163 -0.926 . . . . 0.46 109.54 176.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 40.9 p 66.17 8.29 5.44 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.094 1.357 . . . . 0.73 112.217 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 31.8 t70 -120.68 104.0 9.57 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.081 -0.711 . . . . 1.21 109.081 172.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 9.0 p30 -59.53 128.64 38.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.139 0.495 . . . . 2.58 111.978 -173.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1133 ' ' ASP . . . . . 0.403 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 18.3 m-20 -113.66 -172.23 2.04 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.947 -0.76 . . . . 1.28 108.947 176.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1134 ' ' CYS . . . . . . . . . . . . . 35.6 m 66.89 9.34 6.75 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.105 0.253 . . . . 1.57 111.373 177.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 74.65 -47.02 1.75 Allowed Glycine 0 CA--C 1.522 0.517 0 C-N-CA 121.319 -0.467 . . . . 1.68 112.892 -176.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -95.76 -8.1 35.37 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.099 0.407 . . . . 2.85 112.099 -177.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 75.91 30.99 56.78 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.559 -0.829 . . . . 0.62 112.574 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1138 ' ' SER . . . . . . . . . . . . . 27.6 p -73.64 -1.02 17.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.049 0.452 . . . . 0.44 111.407 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -96.1 -26.68 15.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.121 0.486 . . . . 0.33 110.045 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1140 ' ' GLU . . . . . 0.415 ' OE1' ' HA ' ' A' 1128 ' ' CYS . 75.7 mm-40 -92.34 -9.04 43.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.008 -0.542 . . . . 0.44 110.315 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1141 ' ' LYS . . . . . . . . . . . . . 21.7 pttp -66.24 -28.96 69.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.093 0.473 . . . . 1.55 110.652 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 10.7 t30 . . . . . 0 C--N 1.327 -0.401 0 CA-C-O 121.647 0.737 . . . . 2.05 109.326 176.178 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 59.8 m . . . . . 0 C--O 1.235 0.306 0 CA-C-O 121.11 0.481 . . . . 0.72 111.819 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.5 tp -60.21 160.99 7.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.675 -0.693 . . . . 0.52 110.386 177.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -64.44 -34.75 78.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.971 0.415 . . . . 2.32 110.222 176.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 29.5 p -89.69 -3.91 57.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.01 -0.541 . . . . 0.52 111.221 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -94.61 157.16 16.1 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 121.895 0.855 . . . . 1.02 112.129 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 88.2 t80 -103.14 150.82 23.26 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.158 -1.383 . . . . 0.41 108.652 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 12.9 m -115.29 100.44 8.13 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 116.218 -0.446 . . . . 0.31 109.933 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 34.4 m -60.01 162.85 5.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.732 -0.667 . . . . 0.65 110.332 178.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 13.8 t70 -67.78 -3.86 10.71 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.627 0.727 . . . . 2.62 110.414 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 14.0 m120 -104.4 15.56 27.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.27 -0.877 . . . . 2.75 110.175 177.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 30.7 m80 57.57 32.1 21.32 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.138 0.494 . . . . 1.05 111.204 -175.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -95.62 124.85 39.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.828 -0.624 . . . . 1.91 109.728 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 66.9 m -89.74 119.54 30.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.937 0.398 . . . . 0.42 110.975 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 45.0 pt -132.91 173.58 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.815 -0.63 . . . . 0.19 109.632 176.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 13.4 t -71.65 141.31 49.92 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.011 0.434 . . . . 0.33 110.114 174.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.72 -20.92 66.61 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 116.154 -0.475 . . . . 1.24 110.364 175.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -78.52 -13.77 59.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.001 0.429 . . . . 1.75 110.643 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 40.6 m0 -86.25 -17.71 34.02 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.975 -0.557 . . . . 0.58 110.29 177.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 60.0 t -67.68 120.59 15.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 116.454 -0.339 . . . . 0.24 111.107 -176.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 44.3 t 62.51 54.47 2.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.674 0.75 . . . . 0.58 110.395 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -116.95 27.59 9.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.493 -0.776 . . . . 0.46 110.262 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 40.2 p 60.31 16.52 6.27 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.458 1.103 . . . . 0.73 112.334 -179.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 15.2 t70 -133.38 119.92 20.29 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.708 -0.478 . . . . 1.21 109.708 177.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -69.95 106.35 3.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.265 0.555 . . . . 2.58 111.033 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -95.0 -39.73 10.02 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 116.219 -0.446 . . . . 1.28 110.708 -177.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1134 ' ' CYS . . . . . 0.601 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 21.4 m -73.83 152.97 40.11 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.264 -0.643 . . . . 1.57 109.264 175.407 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -49.94 -58.58 8.39 Favored Glycine 0 C--O 1.235 0.195 0 C-N-CA 120.969 -0.634 . . . . 1.68 112.592 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 31.1 t70 -75.8 -22.07 56.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.904 0.383 . . . . 2.85 110.926 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 95.46 27.96 10.15 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 121.149 -0.548 . . . . 0.62 112.613 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1138 ' ' SER . . . . . 0.451 ' HA ' ' HG2' ' A' 1141 ' ' LYS . 80.2 p -64.89 -23.25 67.17 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.141 0.422 . . . . 0.44 112.141 -175.157 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1139 ' ' ASP . . . . . 0.601 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 6.5 p-10 -70.5 -25.63 63.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.118 0.485 . . . . 0.33 110.568 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -90.33 -29.94 17.77 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.935 -0.575 . . . . 0.44 110.407 178.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1141 ' ' LYS . . . . . 0.451 ' HG2' ' HA ' ' A' 1138 ' ' SER . 46.2 pttt -75.54 -31.78 60.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.027 0.441 . . . . 1.55 110.11 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 6.4 t30 . . . . . 0 C--N 1.327 -0.385 0 CA-C-O 121.334 0.588 . . . . 2.05 109.416 177.007 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 84.6 m . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.312 -0.255 . . . . 0.72 110.312 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.7 tp -59.59 157.3 11.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.016 -0.538 . . . . 0.52 110.33 176.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 38.6 t70 -69.09 -24.35 64.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.05 0.452 . . . . 2.32 110.632 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 11.6 p -96.99 -1.28 45.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.098 0.475 . . . . 0.52 110.916 174.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -99.64 156.83 16.86 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 121.56 0.695 . . . . 1.02 111.525 178.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 75.8 t80 -106.14 151.05 25.23 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 114.723 -1.126 . . . . 0.41 108.925 177.062 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 22.1 m -114.33 107.53 15.7 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.064 0.459 . . . . 0.31 110.441 -177.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 82.7 m -67.28 170.46 7.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.66 -0.7 . . . . 0.65 111.845 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 7.2 t70 -58.15 -32.85 68.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.815 -0.629 . . . . 2.62 109.687 171.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 5.5 m120 -78.89 2.85 18.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.376 -0.829 . . . . 2.75 111.348 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 47.5 m80 64.4 27.2 13.62 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.189 0.519 . . . . 1.05 110.841 -174.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1120 ' ' GLN . . . . . 0.533 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 56.9 tp60 -88.15 140.42 29.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.734 -0.666 . . . . 1.91 109.458 176.424 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 59.9 m -103.84 103.21 13.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.371 -0.377 . . . . 0.42 111.477 -175.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 45.1 pt -107.28 -178.22 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.324 -0.398 . . . . 0.19 109.964 175.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 12.2 t -79.31 141.26 37.17 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.685 0.279 . . . . 0.33 110.337 175.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 93.6 mttt -66.05 -17.57 64.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.218 -0.446 . . . . 1.24 111.075 175.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -79.84 -17.68 52.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.056 0.455 . . . . 1.75 110.641 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 50.7 m0 -90.77 -9.11 47.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.05 -0.523 . . . . 0.58 110.778 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 71.2 t -67.48 125.27 24.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.924 -0.58 . . . . 0.24 111.159 -178.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 48.1 t 59.05 51.39 7.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.538 -0.755 . . . . 0.58 110.532 177.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -112.82 18.71 17.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.471 -0.786 . . . . 0.46 109.908 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 61.3 p 58.55 28.31 16.86 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.47 1.108 . . . . 0.73 112.626 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 33.9 t70 -143.02 145.78 33.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.833 -0.621 . . . . 1.21 109.473 171.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1132 ' ' ASN . . . . . 0.408 ' OD1' ' HA2' ' A' 1137 ' ' GLY . 44.5 t30 -90.9 112.78 24.77 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.2 0.524 . . . . 2.58 110.835 -178.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.79 -1.65 29.44 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 115.532 -0.758 . . . . 1.28 109.994 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1134 ' ' CYS . . . . . 0.533 ' SG ' ' HB3' ' A' 1120 ' ' GLN . 11.4 t -126.91 -175.07 3.31 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.608 -0.724 . . . . 1.57 110.233 -171.556 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -70.61 -69.59 1.36 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.572 -0.823 . . . . 1.68 112.438 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -71.17 -31.29 67.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.014 0.435 . . . . 2.85 111.665 -178.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1137 ' ' GLY . . . . . 0.408 ' HA2' ' OD1' ' A' 1132 ' ' ASN . . . 87.87 26.86 28.07 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 110.909 -0.876 . . . . 0.62 110.909 -173.243 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1138 ' ' SER . . . . . 0.458 ' HA ' ' HG2' ' A' 1141 ' ' LYS . 64.9 p -68.76 -16.82 63.91 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.23 -0.485 . . . . 0.44 111.489 -174.413 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -68.93 -22.82 64.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.466 0.65 . . . . 0.33 109.939 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -95.11 -39.2 10.25 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.594 -0.73 . . . . 0.44 110.156 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1141 ' ' LYS . . . . . 0.458 ' HG2' ' HA ' ' A' 1138 ' ' SER . 14.8 pttp -68.52 -30.21 68.96 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.805 0.336 . . . . 1.55 111.328 -174.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 63.0 t30 . . . . . 0 C--N 1.327 -0.37 0 CA-C-O 121.472 0.653 . . . . 2.05 109.615 177.856 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1109 ' ' CYS . . . . . 0.446 ' N ' ' HG1' ' A' 1115 ' ' THR . 84.8 m . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.739 0.304 . . . . 0.72 111.297 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1110 ' ' LEU . . . . . 0.5 ' CB ' ' HB2' ' A' 1113 ' ' GLN . 5.0 tp -51.84 163.18 0.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 123.668 0.787 . . . . 0.52 111.894 -178.367 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -61.42 -39.98 92.74 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.974 0.416 . . . . 2.32 110.238 178.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1112 ' ' THR . . . . . 0.549 ' O ' ' HG3' ' A' 1124 ' ' LYS . 25.6 p -95.34 8.81 42.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.206 -0.452 . . . . 0.52 111.377 177.09 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1113 ' ' GLN . . . . . 0.5 ' HB2' ' CB ' ' A' 1110 ' ' LEU . 43.2 mt-30 -110.7 150.31 29.22 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-O 121.855 0.835 . . . . 1.02 112.066 178.544 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 78.7 t80 -98.74 148.1 24.21 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.075 -1.421 . . . . 0.41 109.502 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1115 ' ' THR . . . . . 0.446 ' HG1' ' N ' ' A' 1109 ' ' CYS . 4.6 m -109.19 100.22 9.4 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.564 -0.743 . . . . 0.31 109.47 179.558 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1116 ' ' CYS . . . . . 0.472 ' HB3' ' OG ' ' A' 1138 ' ' SER . 99.3 m -72.56 173.31 9.08 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.241 -0.436 . . . . 0.65 111.779 -177.725 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 19.0 t70 -58.34 -40.79 83.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.036 0.446 . . . . 2.62 110.893 -178.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -83.37 14.7 3.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.06 -0.518 . . . . 2.75 110.79 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 41.7 m80 63.67 23.01 13.36 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.546 -0.752 . . . . 1.05 111.8 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -76.41 134.67 39.54 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.469 -0.567 . . . . 1.91 109.469 175.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 96.1 m -100.98 103.87 15.02 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.117 -0.492 . . . . 0.42 110.801 -177.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 35.7 pt -116.16 166.17 10.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.787 -0.642 . . . . 0.19 109.912 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 40.3 t -69.99 140.02 52.88 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.97 -0.752 . . . . 0.33 108.97 174.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1124 ' ' LYS . . . . . 0.549 ' HG3' ' O ' ' A' 1112 ' ' THR . 85.0 mttt -63.71 -15.22 57.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.909 0.385 . . . . 1.24 110.608 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 6.8 t30 -73.05 -21.08 60.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.831 -0.622 . . . . 1.75 110.63 177.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 35.3 m0 -86.01 -17.25 35.78 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.022 0.439 . . . . 0.58 110.327 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 92.5 t -66.34 117.5 7.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.961 -0.563 . . . . 0.24 110.625 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 41.9 t 63.69 57.37 1.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.843 0.83 . . . . 0.58 110.184 -178.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -115.88 23.95 11.86 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.281 -0.872 . . . . 0.46 109.57 175.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 35.0 p 65.86 14.76 9.75 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.615 1.166 . . . . 0.73 112.43 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 34.7 t70 -135.01 133.72 39.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.39 -0.368 . . . . 1.21 110.446 174.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -75.37 108.64 8.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.201 -0.454 . . . . 2.58 110.36 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -94.37 -44.51 7.88 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 120.937 0.399 . . . . 1.28 110.713 -177.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1134 ' ' CYS . . . . . . . . . . . . . 86.2 m -84.13 62.55 7.16 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.02 -0.536 . . . . 1.57 111.161 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 63.57 -92.74 0.11 Allowed Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.919 -0.582 . . . . 1.68 112.448 178.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.59 -24.51 62.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.07 0.462 . . . . 2.85 110.578 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 92.74 46.56 3.39 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.624 -0.798 . . . . 0.62 112.709 176.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1138 ' ' SER . . . . . 0.672 ' O ' ' HG2' ' A' 1141 ' ' LYS . 15.1 p -62.41 -20.55 64.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.946 0.403 . . . . 0.44 110.843 178.195 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -72.62 -17.16 61.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.273 0.559 . . . . 0.33 110.8 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -95.05 -26.17 16.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.168 -0.469 . . . . 0.44 110.506 178.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1141 ' ' LYS . . . . . 0.672 ' HG2' ' O ' ' A' 1138 ' ' SER . 19.1 pttp -71.74 -23.44 61.61 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.176 -0.465 . . . . 1.55 111.644 -172.756 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 3.8 p-10 . . . . . 0 C--N 1.322 -0.609 0 CA-C-O 120.882 0.372 . . . . 2.05 111.346 -176.92 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 70.2 m . . . . . 0 C--O 1.236 0.387 0 CA-C-O 120.784 0.326 . . . . 0.72 111.019 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.9 tp -71.07 173.05 8.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.005 -0.543 . . . . 0.52 110.463 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -76.14 -37.11 58.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.89 0.376 . . . . 2.32 110.413 176.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 17.6 p -91.81 6.08 47.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.021 0.438 . . . . 0.52 111.046 175.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -100.61 158.02 16.25 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 121.475 0.655 . . . . 1.02 111.327 174.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 78.3 t80 -113.07 148.37 35.35 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.806 -1.088 . . . . 0.41 109.451 176.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 12.8 m -102.31 107.73 18.85 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.673 -0.694 . . . . 0.31 109.768 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 61.8 m -63.73 161.02 15.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.8 -0.636 . . . . 0.65 110.857 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 29.7 t70 -59.48 -30.82 68.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.26 0.553 . . . . 2.62 109.827 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 12.8 m120 -78.56 12.71 1.89 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.382 -0.826 . . . . 2.75 111.448 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 70.8 m80 61.7 49.41 4.95 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 122.784 0.434 . . . . 1.05 110.583 -179.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -122.81 147.41 46.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.124 -0.489 . . . . 1.91 110.332 -177.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 86.0 m -102.32 105.78 16.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.923 0.392 . . . . 0.42 111.128 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 45.7 pt -115.37 174.42 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.05 -0.523 . . . . 0.19 109.812 175.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 40.3 t -78.5 141.03 38.5 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.849 0.357 . . . . 0.33 110.225 176.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 64.1 mttm -64.95 -19.29 65.88 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.136 -0.484 . . . . 1.24 111.28 178.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -79.71 -8.0 58.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.963 0.411 . . . . 1.75 111.051 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 43.9 m0 -93.34 -17.61 23.36 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.737 -0.468 . . . . 0.58 109.737 177.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 92.7 t -64.21 121.16 12.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.845 -0.616 . . . . 0.24 111.036 -177.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 63.32 43.45 6.15 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.393 -0.822 . . . . 0.58 111.255 175.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -102.54 21.72 14.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.731 -0.668 . . . . 0.46 109.642 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 76.7 p 59.22 28.9 18.35 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.566 1.146 . . . . 0.73 112.031 -177.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 37.9 t70 -142.44 130.12 21.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.873 -0.603 . . . . 1.21 110.129 175.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -76.87 103.44 6.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.719 0.295 . . . . 2.58 111.106 -177.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -88.65 -45.24 10.0 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.042 0.449 . . . . 1.28 110.084 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1134 ' ' CYS . . . . . . . . . . . . . 17.1 m -71.34 164.5 25.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.583 -0.735 . . . . 1.57 110.381 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -49.75 -51.15 29.58 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 121.412 -0.423 . . . . 1.68 113.103 -178.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -105.31 17.66 23.6 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.703 -0.293 . . . . 2.85 111.415 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 59.13 41.77 96.77 Favored Glycine 0 C--N 1.33 0.248 0 C-N-CA 121.013 -0.613 . . . . 0.62 112.446 -178.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1138 ' ' SER . . . . . 0.489 ' O ' ' HG2' ' A' 1141 ' ' LYS . 55.2 p -66.66 -25.5 66.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.96 0.41 . . . . 0.44 111.189 -177.254 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -70.84 -14.73 62.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.147 0.499 . . . . 0.33 110.519 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -102.76 -16.27 16.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.879 -0.601 . . . . 0.44 110.523 178.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1141 ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' 1138 ' ' SER . 17.9 pttp -85.83 -36.1 20.23 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.751 -0.38 . . . . 1.55 111.88 -172.137 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 2.3 p-10 . . . . . 0 C--N 1.325 -0.495 0 CA-C-O 121.509 0.671 . . . . 2.05 110.803 -178.115 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 56.4 m . . . . . 0 C--O 1.234 0.275 0 CA-C-O 121.112 0.482 . . . . 0.72 111.279 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.9 tp -61.44 160.42 11.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.86 -0.609 . . . . 0.52 110.548 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.7 -38.81 86.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.133 0.492 . . . . 2.32 109.847 174.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 13.4 p -94.13 9.24 38.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.659 -0.7 . . . . 0.52 111.487 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -103.26 157.39 17.05 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.611 0.719 . . . . 1.02 111.642 174.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1114 ' ' TYR . . . . . 0.472 ' O ' ' HA ' ' A' 1121 ' ' CYS . 90.2 t80 -111.02 154.05 24.73 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.579 -1.191 . . . . 0.41 109.749 178.431 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 4.6 m -106.51 101.63 11.08 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.028 -0.533 . . . . 0.31 110.024 -178.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1116 ' ' CYS . . . . . 0.436 ' HB2' ' HB3' ' A' 1120 ' ' GLN . 55.9 m -67.31 171.85 5.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.65 111.346 -178.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 27.8 t70 -51.78 -45.99 63.99 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 122.631 0.373 . . . . 2.62 111.745 -177.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -92.6 33.37 1.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.783 0.325 . . . . 2.75 111.459 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 34.0 m170 63.18 28.72 15.99 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.007 -0.542 . . . . 1.05 111.941 174.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1120 ' ' GLN . . . . . 0.436 ' HB3' ' HB2' ' A' 1116 ' ' CYS . 6.9 tp-100 -87.81 125.22 34.33 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.907 -0.405 . . . . 1.91 109.907 177.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1121 ' ' CYS . . . . . 0.472 ' HA ' ' O ' ' A' 1114 ' ' TYR . 58.8 m -88.2 101.14 13.54 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.424 -0.353 . . . . 0.42 110.781 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1122 ' ' ILE . . . . . 0.45 HD13 ' SG ' ' A' 1134 ' ' CYS . 42.4 pt -103.0 172.26 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.737 -0.468 . . . . 0.19 109.737 174.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 30.1 t -74.42 143.48 44.72 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.849 -0.426 . . . . 0.33 109.849 175.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1124 ' ' LYS . . . . . 0.408 ' HA ' HG23 ' A' 1127 ' ' VAL . 63.7 mttm -67.13 -15.34 63.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.494 -0.321 . . . . 1.24 110.79 177.205 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 18.6 m120 -74.14 -14.04 60.91 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.097 0.475 . . . . 1.75 110.376 174.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1126 ' ' TRP . . . . . 0.486 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 47.3 m0 -97.24 -11.24 24.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.035 -0.53 . . . . 0.58 110.937 -177.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1127 ' ' VAL . . . . . 0.408 HG23 ' HA ' ' A' 1124 ' ' LYS . 60.9 t -73.54 118.49 18.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.37 -0.377 . . . . 0.24 111.267 -177.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1128 ' ' CYS . . . . . 0.452 ' HA ' ' OE1' ' A' 1140 ' ' GLU . 50.4 t 58.82 54.81 4.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.262 -0.881 . . . . 0.58 109.732 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -113.04 14.14 19.55 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.105 -0.952 . . . . 0.46 109.29 177.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 82.1 p 57.07 29.32 16.32 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 114.704 -1.135 . . . . 0.73 111.536 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 14.4 t70 -135.0 142.48 46.45 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.816 -0.629 . . . . 1.21 109.555 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -78.58 116.77 19.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.31 -0.404 . . . . 2.58 111.57 -174.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1133 ' ' ASP . . . . . 0.486 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.0 OUTLIER -133.66 -39.14 0.89 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.785 -0.643 . . . . 1.28 111.08 178.601 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1134 ' ' CYS . . . . . 0.656 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 88.2 m -77.09 34.76 0.16 Allowed 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.312 0.486 . . . . 1.57 112.312 177.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 73.41 -71.28 1.28 Allowed Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.841 -0.695 . . . . 1.68 112.438 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 13.8 t70 -93.08 -49.79 5.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.78 0.324 . . . . 2.85 110.192 177.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 133.94 40.9 0.17 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.712 -0.756 . . . . 0.62 112.828 175.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1138 ' ' SER . . . . . 0.444 ' O ' ' HG2' ' A' 1141 ' ' LYS . 80.0 p -66.3 -25.49 66.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.963 0.411 . . . . 0.44 111.027 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1139 ' ' ASP . . . . . 0.656 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 5.4 p-10 -68.33 -29.54 68.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.04 -0.527 . . . . 0.33 110.111 178.005 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1140 ' ' GLU . . . . . 0.452 ' OE1' ' HA ' ' A' 1128 ' ' CYS . 69.4 mm-40 -85.58 -36.3 20.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.733 -0.667 . . . . 0.44 110.442 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1141 ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' 1138 ' ' SER . 18.4 pttp -66.32 -32.88 74.56 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.216 -0.447 . . . . 1.55 111.742 -173.343 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 10.0 p30 . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 121.109 0.481 . . . . 2.05 110.398 -178.846 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 77.8 m . . . . . 0 C--O 1.236 0.383 0 CA-C-O 121.179 0.514 . . . . 0.72 111.653 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 4.3 tp -61.2 162.56 7.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.62 -0.718 . . . . 0.52 110.457 177.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -65.65 -25.78 67.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.238 0.542 . . . . 2.32 110.182 176.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1112 ' ' THR . . . . . 0.467 ' O ' ' HG3' ' A' 1124 ' ' LYS . 10.8 p -105.26 10.29 33.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.769 -0.65 . . . . 0.52 111.274 176.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -115.12 152.68 32.12 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-O 121.945 0.879 . . . . 1.02 112.239 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1114 ' ' TYR . . . . . 0.479 ' O ' ' HA ' ' A' 1121 ' ' CYS . 62.0 t80 -104.45 149.85 25.07 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 113.937 -1.483 . . . . 0.41 109.707 178.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 8.7 m -101.44 103.19 14.09 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.763 -0.653 . . . . 0.31 109.643 178.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 61.3 m -68.28 163.25 23.33 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.67 -0.695 . . . . 0.65 110.662 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 18.1 t70 -56.85 -37.51 71.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.116 0.484 . . . . 2.62 111.044 -177.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -81.14 17.89 1.18 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.746 -0.661 . . . . 2.75 111.262 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 64.3 m80 63.87 27.05 14.43 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.092 0.557 . . . . 1.05 111.082 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -95.63 139.71 31.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.871 -0.604 . . . . 1.91 109.943 177.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1121 ' ' CYS . . . . . 0.479 ' HA ' ' O ' ' A' 1114 ' ' TYR . 68.7 m -101.11 120.02 39.6 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.96 0.409 . . . . 0.42 110.925 -179.343 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 47.7 pt -118.95 168.33 11.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.28 -0.637 . . . . 0.19 109.28 174.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 39.2 t -73.37 141.1 47.03 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.291 -0.633 . . . . 0.33 109.291 175.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1124 ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' 1112 ' ' THR . 51.6 mttm -65.23 -20.37 66.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.039 -0.528 . . . . 1.24 110.504 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 11.5 t30 -69.76 -20.43 63.49 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.224 0.535 . . . . 1.75 110.412 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1126 ' ' TRP . . . . . 0.504 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 34.9 m0 -87.59 -13.27 43.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.973 -0.558 . . . . 0.58 110.444 -178.335 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1127 ' ' VAL . . . . . 0.413 HG23 ' HA ' ' A' 1124 ' ' LYS . 99.3 t -67.42 123.67 21.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.763 -0.653 . . . . 0.24 111.125 -179.153 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1128 ' ' CYS . . . . . 0.498 ' HA ' ' OE1' ' A' 1140 ' ' GLU . 42.0 t 60.2 55.62 3.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.312 -0.858 . . . . 0.58 110.325 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -116.53 17.63 15.32 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.235 -0.893 . . . . 0.46 109.325 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 50.4 p 58.63 22.82 10.27 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 114.664 -1.153 . . . . 0.73 112.314 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 37.8 t70 -128.18 137.62 52.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.147 -0.479 . . . . 1.21 109.941 173.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 57.8 t30 -83.64 87.53 7.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.463 0.649 . . . . 2.58 110.99 -176.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1133 ' ' ASP . . . . . 0.504 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.0 OUTLIER -95.7 -27.77 15.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.24 -0.891 . . . . 1.28 110.269 179.128 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1134 ' ' CYS . . . . . 0.676 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 8.3 m -72.8 -14.34 61.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.05 -0.523 . . . . 1.57 111.608 175.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 78.41 -49.31 3.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.63 -0.795 . . . . 1.68 111.628 -176.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 24.6 t70 -82.13 -13.47 57.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.311 0.577 . . . . 2.85 110.385 176.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 76.26 16.55 80.62 Favored Glycine 0 C--N 1.33 0.2 0 CA-C-N 115.82 -0.627 . . . . 0.62 111.98 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1138 ' ' SER . . . . . 0.544 ' O ' ' HG2' ' A' 1141 ' ' LYS . 20.1 p -69.08 -16.93 63.8 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.367 0.506 . . . . 0.44 112.367 -173.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1139 ' ' ASP . . . . . 0.676 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 5.9 p-10 -81.45 -29.62 33.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.265 0.555 . . . . 0.33 109.91 178.185 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1140 ' ' GLU . . . . . 0.498 ' OE1' ' HA ' ' A' 1128 ' ' CYS . 63.6 mm-40 -86.31 -30.05 22.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.719 -0.673 . . . . 0.44 109.947 -178.29 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1141 ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' 1138 ' ' SER . 20.8 pttp -61.6 -38.5 87.79 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.824 -0.625 . . . . 1.55 111.682 -174.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 26.5 p30 . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 121.069 0.461 . . . . 2.05 111.417 -174.79 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 57.2 m . . . . . 0 C--O 1.235 0.304 0 CA-C-O 120.981 0.42 . . . . 0.72 111.866 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 5.6 tp -50.05 158.9 0.48 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.645 0.778 . . . . 0.52 111.696 -179.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 15.0 t70 -69.31 -22.29 63.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.075 0.464 . . . . 2.32 110.444 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 12.7 p -101.71 3.22 39.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.027 -0.533 . . . . 0.52 110.807 173.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -106.36 163.21 13.02 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.478 0.656 . . . . 1.02 111.11 176.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 70.1 t80 -116.96 149.22 40.57 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.061 -0.972 . . . . 0.41 109.593 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 11.6 m -105.42 103.23 12.72 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.937 -0.574 . . . . 0.31 110.074 -177.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1116 ' ' CYS . . . . . 0.5 ' HB2' ' HB3' ' A' 1120 ' ' GLN . 38.0 m -72.31 174.88 6.69 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.582 -0.735 . . . . 0.65 111.485 -176.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -56.83 -45.85 82.07 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.077 0.399 . . . . 2.62 112.077 -174.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -88.18 25.39 1.62 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.131 0.491 . . . . 2.75 110.224 -177.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 34.2 m80 61.35 39.96 14.75 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.763 -0.653 . . . . 1.05 111.07 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1120 ' ' GLN . . . . . 0.5 ' HB3' ' HB2' ' A' 1116 ' ' CYS . 60.2 tt0 -92.4 137.84 32.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.827 -0.624 . . . . 1.91 109.466 175.409 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 71.4 m -101.36 103.48 14.43 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.914 0.388 . . . . 0.42 111.212 -177.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 45.1 pt -105.54 173.03 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.221 -0.659 . . . . 0.19 109.221 173.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 29.0 t -75.66 145.04 41.32 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.704 -0.48 . . . . 0.33 109.704 174.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 87.3 mttt -64.01 -18.27 64.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.758 0.313 . . . . 1.24 110.549 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -78.14 -12.81 60.02 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.261 -0.427 . . . . 1.75 110.46 177.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1126 ' ' TRP . . . . . 0.425 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 47.1 m0 -93.55 -9.96 36.45 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 116.204 -0.453 . . . . 0.58 110.479 178.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 59.9 t -74.21 126.29 34.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 116.48 -0.327 . . . . 0.24 110.951 -178.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 11.2 t 58.86 55.36 4.61 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 122.371 1.081 . . . . 0.58 109.683 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -122.62 15.21 10.26 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.743 -1.117 . . . . 0.46 109.866 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 69.9 p 58.89 30.5 20.23 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.218 1.007 . . . . 0.73 111.869 -178.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 35.6 t70 -129.08 135.65 49.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.845 -0.616 . . . . 1.21 109.606 174.226 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 7.8 t30 -84.71 82.42 8.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.299 0.571 . . . . 2.58 110.746 -175.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1133 ' ' ASP . . . . . 0.425 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.0 OUTLIER -98.04 -30.91 12.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.725 -0.67 . . . . 1.28 111.058 -178.448 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1134 ' ' CYS . . . . . 0.752 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 10.4 m -77.83 13.02 1.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.596 0.591 . . . . 1.57 112.596 178.622 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 77.2 -66.38 2.9 Favored Glycine 0 CA--C 1.517 0.174 0 C-N-CA 120.913 -0.661 . . . . 1.68 112.626 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 16.1 t70 -85.2 -21.8 28.99 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.286 0.565 . . . . 2.85 110.465 176.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 94.5 28.01 11.0 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.681 -0.771 . . . . 0.62 111.605 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1138 ' ' SER . . . . . . . . . . . . . 1.6 p -71.35 -0.75 10.86 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.836 0.31 . . . . 0.44 111.836 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1139 ' ' ASP . . . . . 0.752 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 4.3 p-10 -98.18 -21.09 16.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.445 0.641 . . . . 0.33 109.677 174.575 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -97.87 -23.35 15.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.55 -0.75 . . . . 0.44 110.241 -178.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1141 ' ' LYS . . . . . . . . . . . . . 53.7 pttt -62.96 -22.47 66.83 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.494 0.664 . . . . 1.55 110.687 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 17.0 p-10 . . . . . 0 C--N 1.319 -0.721 0 CA-C-N 115.174 -0.921 . . . . 2.05 109.789 178.838 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1109 ' ' CYS . . . . . 0.531 ' N ' ' HG1' ' A' 1115 ' ' THR . 60.9 m . . . . . 0 C--O 1.236 0.374 0 CA-C-O 121.002 0.43 . . . . 0.72 111.644 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 7.2 tp -51.7 157.88 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.442 -0.799 . . . . 0.52 111.304 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -65.9 -26.54 67.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.926 0.393 . . . . 2.32 110.691 178.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 12.5 p -98.97 -1.32 40.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.289 0.566 . . . . 0.52 110.657 175.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -100.49 162.11 13.15 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.493 0.663 . . . . 1.02 111.069 177.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 86.2 t80 -108.78 149.72 28.64 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 114.901 -1.045 . . . . 0.41 108.998 175.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1115 ' ' THR . . . . . 0.531 ' HG1' ' N ' ' A' 1109 ' ' CYS . 6.3 m -109.42 102.53 11.41 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.884 -0.598 . . . . 0.31 109.53 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 35.7 m -67.53 168.78 10.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.848 -0.615 . . . . 0.65 110.968 -177.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.22 -37.45 83.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.18 0.515 . . . . 2.62 110.396 -179.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -85.2 14.67 4.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.814 -0.63 . . . . 2.75 110.609 178.153 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 43.2 m80 66.73 26.73 9.48 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.677 -0.692 . . . . 1.05 111.99 175.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -78.85 141.53 37.62 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.472 -0.566 . . . . 1.91 109.472 173.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 73.1 m -105.94 102.17 11.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.945 0.403 . . . . 0.42 111.199 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 50.6 pt -112.31 178.72 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.129 -0.487 . . . . 0.19 109.906 176.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 28.0 t -75.47 146.32 40.74 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.096 -0.335 . . . . 0.33 110.096 175.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 65.0 mttm -66.64 -23.87 66.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.441 -0.345 . . . . 1.24 110.621 175.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 13.6 m120 -71.86 -18.22 62.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 1.75 110.681 178.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 45.1 m0 -87.57 -12.33 46.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.078 -0.51 . . . . 0.58 110.831 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 59.6 t -68.7 117.47 11.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.399 -0.364 . . . . 0.24 110.9 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1128 ' ' CYS . . . . . 0.454 ' HA ' ' OE1' ' A' 1140 ' ' GLU . 49.6 t 61.3 50.19 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.5 -0.773 . . . . 0.58 110.515 178.417 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -108.34 24.22 13.35 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.617 -0.72 . . . . 0.46 109.224 177.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 39.9 p 54.92 34.86 23.14 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.606 -1.179 . . . . 0.73 112.064 -179.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 13.5 t70 -146.19 129.83 17.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.855 -0.611 . . . . 1.21 109.717 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 26.9 t30 -71.25 117.45 12.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.708 0.29 . . . . 2.58 111.576 -175.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -119.15 -26.18 5.99 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.898 0.333 . . . . 1.28 111.898 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1134 ' ' CYS . . . . . 0.644 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 84.0 m -87.25 16.86 4.78 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.16 0.429 . . . . 1.57 112.16 -177.164 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 80.84 -64.37 4.12 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.56 -0.828 . . . . 1.68 111.834 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -79.18 -38.45 35.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.215 0.531 . . . . 2.85 110.232 174.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 112.07 27.87 3.82 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.638 -0.71 . . . . 0.62 112.792 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1138 ' ' SER . . . . . 0.429 ' HA ' ' HG2' ' A' 1141 ' ' LYS . 76.8 p -65.24 -22.29 66.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.739 0.304 . . . . 0.44 111.561 -177.546 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1139 ' ' ASP . . . . . 0.644 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 8.2 p-10 -75.1 -24.92 58.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.127 0.489 . . . . 0.33 110.354 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1140 ' ' GLU . . . . . 0.454 ' OE1' ' HA ' ' A' 1128 ' ' CYS . 80.7 mm-40 -90.53 -26.36 19.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.954 -0.566 . . . . 0.44 110.209 177.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1141 ' ' LYS . . . . . 0.429 ' HG2' ' HA ' ' A' 1138 ' ' SER . 15.4 pttp -78.47 -38.44 41.03 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.423 -0.353 . . . . 1.55 110.369 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 63.4 t30 . . . . . 0 C--N 1.33 -0.24 0 CA-C-O 121.727 0.775 . . . . 2.05 109.654 -179.048 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.72 110.785 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.8 tp -67.33 167.06 13.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.928 -0.578 . . . . 0.52 110.575 -179.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -69.22 -38.85 78.75 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.668 -0.493 . . . . 2.32 109.668 176.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 10.4 p -86.02 -4.49 59.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.877 -0.602 . . . . 0.52 111.359 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -92.62 158.02 16.18 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.549 0.69 . . . . 1.02 111.325 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 74.0 t80 -110.07 148.66 31.3 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.817 -1.083 . . . . 0.41 109.616 178.607 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 7.2 m -104.18 113.34 26.82 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.65 -0.705 . . . . 0.31 110.195 -178.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1116 ' ' CYS . . . . . 0.549 ' SG ' ' HB3' ' A' 1120 ' ' GLN . 88.2 m -59.84 152.12 23.98 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.875 -0.602 . . . . 0.65 110.541 174.615 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 36.4 t70 -66.82 -15.13 63.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.392 0.615 . . . . 2.62 110.197 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -100.42 16.55 24.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.559 -0.746 . . . . 2.75 110.189 176.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 41.7 m170 61.13 77.53 0.32 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.221 -0.9 . . . . 1.05 111.35 -178.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1120 ' ' GLN . . . . . 0.549 ' HB3' ' SG ' ' A' 1116 ' ' CYS . 52.5 tt0 -145.18 144.2 30.73 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.109 -0.7 . . . . 1.91 109.109 176.289 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 66.8 m -100.72 109.12 21.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.046 0.45 . . . . 0.42 111.598 -175.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 40.5 pt -119.74 -179.13 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.081 -0.711 . . . . 0.19 109.081 172.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 36.5 t -84.94 144.02 28.61 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.881 -0.328 . . . . 0.33 110.346 177.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 66.5 mttm -65.24 -19.79 66.13 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.069 0.462 . . . . 1.24 110.594 176.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -79.35 -7.03 58.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.956 -0.565 . . . . 1.75 110.558 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 52.9 m0 -101.0 -7.62 23.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.926 -0.579 . . . . 0.58 110.561 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 92.2 t -67.39 117.56 9.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.965 -0.561 . . . . 0.24 111.317 -178.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 37.6 t 66.33 44.07 2.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.575 -0.739 . . . . 0.58 111.013 176.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -106.78 21.52 17.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.63 -0.714 . . . . 0.46 109.65 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 68.6 p 58.44 33.65 23.3 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.3 1.04 . . . . 0.73 111.875 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 12.3 t70 -141.62 138.43 32.56 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.128 -0.487 . . . . 1.21 110.473 175.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -86.95 73.14 9.98 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.871 0.367 . . . . 2.58 110.827 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -62.39 -21.49 65.4 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.406 0.622 . . . . 1.28 110.838 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1134 ' ' CYS . . . . . . . . . . . . . 14.1 t -100.31 6.28 44.58 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.346 -0.843 . . . . 1.57 110.963 -173.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 74.14 -73.25 1.32 Allowed Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 110.102 -1.199 . . . . 1.68 110.102 -170.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 22.6 t0 -90.95 88.59 7.09 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.854 -1.165 . . . . 2.85 107.854 167.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -68.29 80.09 0.21 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.378 -0.828 . . . . 0.62 114.245 -171.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1138 ' ' SER . . . . . . . . . . . . . 57.0 p -68.05 -18.58 64.72 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.271 -0.64 . . . . 0.44 109.271 171.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -72.59 -21.37 61.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.308 -0.86 . . . . 0.33 110.294 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -92.17 -35.27 13.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.009 -0.541 . . . . 0.44 109.918 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1141 ' ' LYS . . . . . . . . . . . . . 13.7 pttp -72.17 -29.55 64.13 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.974 -0.557 . . . . 1.55 110.502 -178.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 26.7 t-20 . . . . . 0 C--N 1.324 -0.538 0 CA-C-O 121.673 0.749 . . . . 2.05 109.306 178.442 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 86.4 m . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.646 0.26 . . . . 0.72 110.591 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1110 ' ' LEU . . . . . 0.412 ' HB3' ' HG3' ' A' 1113 ' ' GLN . 11.6 tp -63.74 168.9 4.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.832 0.349 . . . . 0.52 111.583 -177.085 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -61.58 -43.98 97.86 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.123 -0.49 . . . . 2.32 110.023 175.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 23.7 p -100.41 14.84 29.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.52 111.794 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1113 ' ' GLN . . . . . 0.412 ' HG3' ' HB3' ' A' 1110 ' ' LEU . 73.0 mt-30 -100.04 161.37 13.65 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.598 0.713 . . . . 1.02 111.704 174.053 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 80.0 t80 -110.99 150.06 29.81 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.588 -1.187 . . . . 0.41 109.099 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 17.0 m -104.13 112.15 25.04 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.165 -0.47 . . . . 0.31 109.853 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1116 ' ' CYS . . . . . 0.458 ' HB2' ' HB3' ' A' 1120 ' ' GLN . 80.7 m -73.35 -179.63 3.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.022 -0.536 . . . . 0.65 112.107 -177.42 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -60.31 -38.98 85.38 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.969 -0.559 . . . . 2.62 111.801 -175.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -103.44 33.1 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.665 0.246 . . . . 2.75 111.665 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 50.1 m80 63.93 28.31 14.48 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.182 -0.463 . . . . 1.05 111.981 177.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1120 ' ' GLN . . . . . 0.458 ' HB3' ' HB2' ' A' 1116 ' ' CYS . 6.5 tp-100 -82.32 137.1 34.89 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.126 -0.694 . . . . 1.91 109.126 174.069 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 73.0 m -99.09 108.88 21.63 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.162 0.506 . . . . 0.42 111.258 -177.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 41.1 pt -113.58 170.23 4.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.097 -0.705 . . . . 0.19 109.097 174.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 32.0 t -79.15 144.63 34.3 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 110.146 -0.316 . . . . 0.33 110.146 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 60.6 mttm -64.15 -16.61 62.23 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.205 -0.452 . . . . 1.24 110.742 176.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -73.68 -19.71 60.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.099 0.476 . . . . 1.75 110.173 177.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 44.5 m0 -88.19 -13.07 42.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.945 -0.57 . . . . 0.58 110.417 -178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 98.9 t -67.26 120.17 14.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.845 -0.616 . . . . 0.24 110.401 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1128 ' ' CYS . . . . . 0.458 ' HA ' ' OE1' ' A' 1140 ' ' GLU . 53.7 t 62.49 57.07 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.792 0.806 . . . . 0.58 110.44 -178.58 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -118.99 17.56 13.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.274 -0.875 . . . . 0.46 109.392 175.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 70.0 p 58.0 41.59 24.04 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 114.937 -1.029 . . . . 0.73 111.66 -178.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 12.9 t70 -146.46 140.32 26.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.594 -0.73 . . . . 1.21 109.714 173.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -84.1 81.27 8.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.083 0.468 . . . . 2.58 111.09 -176.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -76.99 -35.29 57.28 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.065 -0.717 . . . . 1.28 109.065 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1134 ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 81.6 m -92.82 162.85 13.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.081 -0.963 . . . . 1.57 109.797 174.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -62.28 119.21 16.91 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.796 -0.716 . . . . 1.68 111.58 177.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 36.6 t70 70.41 0.06 3.07 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.362 0.665 . . . . 2.85 111.013 -177.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 79.21 50.67 5.68 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 121.016 -0.611 . . . . 0.62 112.79 176.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1138 ' ' SER . . . . . 0.488 ' O ' ' HG2' ' A' 1141 ' ' LYS . 71.3 p -64.99 -20.93 66.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.003 0.43 . . . . 0.44 110.359 177.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1139 ' ' ASP . . . . . 0.433 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 7.0 p-10 -78.24 -19.79 53.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.33 110.639 177.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1140 ' ' GLU . . . . . 0.458 ' OE1' ' HA ' ' A' 1128 ' ' CYS . 74.3 mm-40 -94.73 -31.88 13.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.944 0.402 . . . . 0.44 110.439 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1141 ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' 1138 ' ' SER . 19.7 pttp -60.45 -28.44 68.3 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.972 -0.558 . . . . 1.55 112.117 -172.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 10.2 p30 . . . . . 0 C--N 1.325 -0.493 0 CA-C-O 121.142 0.496 . . . . 2.05 110.775 -178.033 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 25.7 m . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 120.871 0.367 . . . . 12.26 110.487 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 63.8 m80 -85.83 146.52 26.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.179 -0.464 . . . . 11.34 110.352 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -95.16 119.77 65.19 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.433 -0.349 . . . . 8.3 110.263 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -72.33 123.66 9.33 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.531 2.154 . . . . 6.09 111.672 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -78.34 167.77 20.83 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.296 -0.411 . . . . 4.73 110.636 -178.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 5.6 p -66.26 157.32 31.84 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.452 -0.34 . . . . 2.97 110.68 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 73.9 m 61.73 -163.93 0.25 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.332 -0.395 . . . . 0.72 111.174 -175.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1110 ' ' LEU . . . . . 0.412 ' H ' ' HB2' ' A' 1113 ' ' GLN . 9.9 tp -72.87 168.25 19.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.278 -0.419 . . . . 0.52 110.652 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.91 -41.67 95.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.431 0.634 . . . . 2.32 109.97 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 6.3 p -90.16 -0.18 57.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.521 -0.763 . . . . 0.52 111.585 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1113 ' ' GLN . . . . . 0.449 ' O ' ' HE3' ' A' 1124 ' ' LYS . 76.7 mt-30 -97.59 153.01 18.46 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 121.722 0.773 . . . . 1.02 111.742 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 79.4 t80 -103.07 148.66 25.45 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.381 -1.281 . . . . 0.41 108.885 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 5.1 m -106.94 103.01 12.33 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 116.007 -0.542 . . . . 0.31 109.589 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1116 ' ' CYS . . . . . 0.43 ' HB3' ' OG ' ' A' 1138 ' ' SER . 32.3 m -65.79 169.92 5.92 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.622 -0.717 . . . . 0.65 111.102 -178.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 28.9 t70 -65.39 -30.84 71.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.324 0.583 . . . . 2.62 109.673 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -81.28 8.88 8.0 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.27 -0.877 . . . . 2.75 110.497 177.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 51.4 m80 68.39 20.05 8.71 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.763 -0.653 . . . . 1.05 111.707 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -78.82 146.28 33.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.177 -0.465 . . . . 1.91 110.139 177.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 85.3 m -107.86 99.93 9.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.932 0.396 . . . . 0.42 110.533 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 46.8 pt -113.13 174.63 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.271 -0.422 . . . . 0.19 110.297 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 23.4 t -71.59 141.55 50.01 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.937 0.399 . . . . 0.33 110.377 174.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1124 ' ' LYS . . . . . 0.449 ' HE3' ' O ' ' A' 1113 ' ' GLN . 97.9 mttt -67.51 -13.69 62.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 1.24 110.936 176.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 17.4 m120 -83.01 -9.95 59.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.96 0.41 . . . . 1.75 110.63 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 48.7 m0 -93.56 -14.32 26.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.144 -0.48 . . . . 0.58 110.468 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 69.6 t -65.76 119.17 10.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.969 -0.559 . . . . 0.24 111.052 -177.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1128 ' ' CYS . . . . . 0.452 ' HB2' ' HB2' ' A' 1143 ' ' CYS . 49.2 t 62.19 51.63 3.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.606 -0.725 . . . . 0.58 110.577 178.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -110.99 25.51 11.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.665 -0.698 . . . . 0.46 109.703 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 64.8 p 60.7 24.55 14.37 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.64 1.176 . . . . 0.73 112.515 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 26.7 t70 -147.6 119.12 7.93 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.763 -0.458 . . . . 1.21 109.763 173.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -64.99 120.59 12.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.103 0.477 . . . . 2.58 111.066 -177.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -102.2 -30.03 11.36 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.147 0.499 . . . . 1.28 110.515 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1134 ' ' CYS . . . . . 0.546 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 21.0 m -81.77 0.78 37.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.78 -0.645 . . . . 1.57 111.045 -178.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 82.48 -58.13 4.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.957 -0.64 . . . . 1.68 111.664 -176.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -73.5 -16.34 61.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.354 0.597 . . . . 2.85 110.094 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 80.89 23.11 60.18 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.44 -0.8 . . . . 0.62 112.465 176.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1138 ' ' SER . . . . . 0.477 ' O ' ' HG2' ' A' 1141 ' ' LYS . 4.9 p -66.31 -26.01 67.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.72 0.295 . . . . 0.44 111.402 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1139 ' ' ASP . . . . . 0.546 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 6.0 p-10 -72.46 -22.28 61.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.187 0.518 . . . . 0.33 110.175 176.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -92.02 -30.56 15.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.136 -0.483 . . . . 0.44 110.373 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1141 ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' 1138 ' ' SER . 17.3 pttp -71.42 -30.18 65.76 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.991 0.424 . . . . 1.55 110.544 -178.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 39.9 t30 -88.45 75.93 8.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.392 0.615 . . . . 2.05 109.441 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1143 ' ' CYS . . . . . 0.452 ' HB2' ' HB2' ' A' 1128 ' ' CYS . 49.1 t -169.76 147.09 3.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.374 -0.83 . . . . 1.67 109.237 -176.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -117.08 85.74 2.38 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.634 0.731 . . . . 4.59 111.541 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 2.8 p -150.6 147.67 27.7 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.894 -0.594 . . . . 5.4 110.296 175.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 20.5 p -91.52 45.61 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.924 0.392 . . . . 8.15 111.389 -178.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -13.82 60.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.12 0.486 . . . . 9.87 110.633 -178.293 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 CA--C 1.533 0.327 0 CA-C-N 114.933 -1.03 . . . . 11.12 110.789 -178.416 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 19.0 p . . . . . 0 N--CA 1.476 0.856 0 CA-C-O 120.411 0.148 . . . . 12.26 110.65 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 48.9 t-80 64.15 76.7 0.34 Allowed 'General case' 0 N--CA 1.462 0.166 0 O-C-N 123.667 0.605 . . . . 11.34 110.795 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -64.44 133.2 95.6 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.916 -0.584 . . . . 8.3 110.013 176.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -61.58 120.66 8.41 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.561 2.174 . . . . 6.09 112.065 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -89.41 53.77 2.72 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.681 -0.69 . . . . 4.73 110.413 -177.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 4.8 p -79.0 147.48 32.87 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.764 -0.653 . . . . 2.97 110.633 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 63.7 m 60.55 -168.48 0.17 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.008 -0.542 . . . . 0.72 110.973 -176.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.0 tp -69.76 164.24 23.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.346 -0.388 . . . . 0.52 110.64 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 17.3 t70 -61.42 -41.96 97.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.011 0.434 . . . . 2.32 110.388 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 22.9 p -94.84 8.18 43.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.127 -0.488 . . . . 0.52 111.64 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -100.97 156.07 17.6 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.508 0.67 . . . . 1.02 111.704 175.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 74.1 t80 -101.21 149.13 24.31 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.754 -1.112 . . . . 0.41 109.643 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 5.7 m -108.31 103.77 13.01 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.596 -0.729 . . . . 0.31 109.497 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 33.8 m -64.32 170.03 4.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.104 -0.498 . . . . 0.65 112.22 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 30.2 t70 -57.76 -44.35 86.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.226 0.536 . . . . 2.62 109.994 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 57.7 t30 -83.82 19.26 1.74 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.611 0.72 . . . . 2.75 110.464 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 52.8 m80 62.61 24.05 14.31 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.464 -0.789 . . . . 1.05 112.609 174.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -78.91 122.19 25.81 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.721 -0.474 . . . . 1.91 109.721 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 74.4 m -84.08 123.55 30.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.251 -0.432 . . . . 0.42 110.744 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 44.6 pt -135.83 174.03 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.916 -0.583 . . . . 0.19 109.448 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 28.7 t -70.2 138.6 51.9 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 110.025 -0.361 . . . . 0.33 110.025 175.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.61 -23.13 67.25 Favored 'General case' 0 N--CA 1.461 0.1 0 CA-C-O 121.075 0.464 . . . . 1.24 110.341 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -78.64 -8.69 58.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.879 -0.6 . . . . 1.75 110.097 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1126 ' ' TRP . . . . . 0.412 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 44.5 m0 -99.15 -2.73 36.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.801 -0.636 . . . . 0.58 110.764 179.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 86.2 t -73.13 123.44 28.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 116.293 -0.412 . . . . 0.24 110.934 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1128 ' ' CYS . . . . . 0.406 ' HB2' ' HB3' ' A' 1143 ' ' CYS . 4.6 t 62.72 49.26 3.85 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.493 -0.776 . . . . 0.58 110.379 177.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -117.32 16.41 14.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.83 -0.623 . . . . 0.46 110.581 -176.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 53.6 p 60.62 29.31 18.92 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.425 1.09 . . . . 0.73 112.184 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 16.1 t70 -130.5 138.32 50.19 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 109.83 -0.433 . . . . 1.21 109.83 171.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -84.48 48.54 1.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.213 0.449 . . . . 2.58 112.213 -178.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1133 ' ' ASP . . . . . 0.412 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.1 OUTLIER -51.46 -43.32 62.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.413 0.625 . . . . 1.28 110.128 169.027 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1134 ' ' CYS . . . . . . . . . . . . . 53.8 t -64.53 -14.95 59.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.773 -1.103 . . . . 1.57 111.911 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 78.36 -65.34 3.38 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.957 -0.639 . . . . 1.68 112.063 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -77.62 -16.29 58.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.359 0.599 . . . . 2.85 110.171 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 76.3 27.34 61.94 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.294 -0.866 . . . . 0.62 113.575 174.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1138 ' ' SER . . . . . . . . . . . . . 51.0 p -74.57 -19.83 60.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.236 0.518 . . . . 0.44 110.874 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -72.13 -28.7 63.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.377 0.608 . . . . 0.33 109.535 177.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -86.41 -17.83 33.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.392 -0.822 . . . . 0.44 110.626 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1141 ' ' LYS . . . . . . . . . . . . . 15.9 pttp -93.73 -30.3 14.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.039 0.447 . . . . 1.55 110.808 -176.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 5.7 t30 -114.26 74.16 0.86 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.029 -0.532 . . . . 2.05 110.106 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1143 ' ' CYS . . . . . 0.406 ' HB3' ' HB2' ' A' 1128 ' ' CYS . 26.8 p -141.79 -63.79 0.44 Allowed 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.862 -0.608 . . . . 1.67 110.384 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -157.35 15.98 0.26 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.662 0.744 . . . . 4.59 109.242 172.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 7.4 p -105.79 154.3 20.7 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.02 -0.991 . . . . 5.4 111.169 -173.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.59 92.41 8.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.049 0.452 . . . . 8.15 110.339 175.236 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -66.62 -36.6 82.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.835 -0.62 . . . . 9.87 110.292 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 47.5 m . . . . . 0 CA--C 1.532 0.285 0 O-C-N 123.812 0.695 . . . . 11.12 112.006 -178.362 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 31.6 m . . . . . 0 N--CA 1.476 0.826 0 CA-C-O 120.862 0.363 . . . . 12.26 110.519 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 42.4 m80 -84.0 -15.28 48.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 11.34 110.954 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -80.99 119.6 76.46 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.325 -0.398 . . . . 8.3 110.327 177.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -81.43 147.7 16.02 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.525 2.15 . . . . 6.09 112.032 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -88.94 59.45 5.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.045 0.45 . . . . 4.73 110.886 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 8.2 p -88.03 140.48 29.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.157 -0.474 . . . . 2.97 110.189 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 45.9 m -102.6 176.95 5.0 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.117 0.484 . . . . 0.72 111.37 -175.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 5.6 tp -67.04 166.16 14.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.514 -0.766 . . . . 0.52 110.329 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.64 -37.56 85.09 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.054 0.454 . . . . 2.32 110.246 177.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 31.6 p -91.58 3.7 54.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.52 111.264 177.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1113 ' ' GLN . . . . . 0.412 ' O ' ' HE3' ' A' 1124 ' ' LYS . 71.7 mt-30 -98.44 152.47 19.48 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-O 121.733 0.778 . . . . 1.02 111.83 177.251 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 77.5 t80 -101.52 149.42 24.1 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.317 -1.311 . . . . 0.41 108.967 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 20.7 m -112.34 104.73 12.9 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 116.33 -0.395 . . . . 0.31 110.186 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 99.2 m -60.91 161.52 8.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.868 -0.606 . . . . 0.65 111.115 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 26.1 t70 -55.56 -47.97 75.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.701 0.286 . . . . 2.62 110.741 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -79.16 25.56 0.29 Allowed 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 111.974 0.361 . . . . 2.75 111.974 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 29.0 m80 58.66 63.56 1.65 Allowed 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.465 0.543 . . . . 1.05 112.465 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1120 ' ' GLN . . . . . 0.46 ' NE2' ' HA ' ' A' 1134 ' ' CYS . 45.0 tt0 -119.7 140.26 50.96 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.243 -0.651 . . . . 1.91 109.243 174.056 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 66.9 m -106.34 111.06 23.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.172 0.51 . . . . 0.42 111.376 -176.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1122 ' ' ILE . . . . . 0.464 HD13 ' HB2' ' A' 1134 ' ' CYS . 48.1 pt -123.72 179.54 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.618 -0.719 . . . . 0.19 109.242 175.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1123 ' ' SER . . . . . 0.43 ' HB3' ' CG ' ' A' 1126 ' ' TRP . 27.4 t -74.93 142.84 43.94 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.711 -0.396 . . . . 0.33 110.014 175.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1124 ' ' LYS . . . . . 0.412 ' HE3' ' O ' ' A' 1113 ' ' GLN . 93.4 mttt -66.65 -18.41 65.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.914 0.388 . . . . 1.24 111.109 178.215 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 64.5 t30 -78.69 -14.4 59.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.338 0.589 . . . . 1.75 110.113 176.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1126 ' ' TRP . . . . . 0.603 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 44.9 m0 -89.99 -3.29 58.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.997 -0.547 . . . . 0.58 111.096 -175.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 62.1 t -71.7 120.28 19.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.813 -0.63 . . . . 0.24 110.748 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 42.5 t 59.93 50.31 6.93 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.508 0.671 . . . . 0.58 110.166 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -113.77 11.49 18.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.871 -0.604 . . . . 0.46 110.43 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 76.7 p 60.16 23.22 12.52 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.023 0.929 . . . . 0.73 112.203 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -120.99 140.88 51.29 Favored 'General case' 0 C--O 1.244 0.795 0 N-CA-C 110.115 -0.328 . . . . 1.21 110.115 175.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -83.23 62.64 6.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.559 0.695 . . . . 2.58 110.842 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1133 ' ' ASP . . . . . 0.603 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.1 OUTLIER -71.07 -58.6 3.4 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.405 -0.816 . . . . 1.28 108.971 170.629 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1134 ' ' CYS . . . . . 0.464 ' HB2' HD13 ' A' 1122 ' ' ILE . 44.8 t -80.81 120.3 24.49 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.242 -0.89 . . . . 1.57 110.222 176.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -74.67 -21.33 78.82 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 111.375 -0.69 . . . . 1.68 111.375 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1136 ' ' ASP . . . . . 0.443 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 14.4 t70 -75.3 -26.69 58.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.307 0.575 . . . . 2.85 110.019 175.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 73.07 14.13 79.03 Favored Glycine 0 C--N 1.33 0.246 0 CA-C-N 115.435 -0.802 . . . . 0.62 113.634 172.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1138 ' ' SER . . . . . 0.412 ' O ' ' HG2' ' A' 1141 ' ' LYS . 5.3 p -79.48 -15.29 58.02 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.968 0.384 . . . . 0.44 111.007 -178.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1139 ' ' ASP . . . . . 0.416 ' OD1' ' HB3' ' A' 1134 ' ' CYS . 4.8 p-10 -73.52 -35.47 65.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.3 0.571 . . . . 0.33 109.608 176.396 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -79.72 -30.25 40.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.803 -0.635 . . . . 0.44 110.069 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1141 ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' 1138 ' ' SER . 14.0 pttp -75.96 -29.36 58.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.023 0.44 . . . . 1.55 110.091 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -78.44 55.62 1.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.728 0.775 . . . . 2.05 109.93 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 7.6 t -140.66 10.12 2.23 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.484 -0.78 . . . . 1.67 109.681 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -92.14 5.75 49.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.551 -0.75 . . . . 4.59 110.002 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 6.2 p -77.02 150.73 35.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.566 -0.743 . . . . 5.4 110.521 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 19.1 p -88.63 34.6 0.76 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.086 0.469 . . . . 8.15 111.721 -177.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -85.38 1.88 46.68 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.056 -0.52 . . . . 9.87 110.223 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.235 0.333 0 CA-C-N 115.782 -0.645 . . . . 11.12 111.079 179.274 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 109.915 -0.402 . . . . 12.26 109.915 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 28.5 m170 -73.81 96.22 2.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.112 0.482 . . . . 11.34 110.964 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -85.94 127.23 63.01 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.502 -0.772 . . . . 8.3 109.681 177.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -51.94 147.6 25.49 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.999 2.466 . . . . 6.09 112.411 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -77.39 57.71 1.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.156 0.503 . . . . 4.73 110.804 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 12.5 p -77.03 160.63 28.95 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.526 -0.761 . . . . 2.97 110.583 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 79.6 m -106.12 -171.2 1.86 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.85 -0.614 . . . . 0.72 110.781 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.2 tp -51.92 160.69 0.67 Allowed 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 123.449 0.7 . . . . 0.52 111.939 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 26.4 t70 -60.02 -37.67 80.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.17 0.509 . . . . 2.32 110.535 176.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 11.1 p -92.85 -0.86 57.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.947 -0.569 . . . . 0.52 111.416 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -100.14 159.3 15.21 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 121.658 0.742 . . . . 1.02 111.957 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 76.0 t80 -105.93 147.6 28.6 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.565 -1.198 . . . . 0.41 108.979 175.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 5.9 m -105.67 97.95 7.71 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 108.848 -0.797 . . . . 0.31 108.848 177.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 31.5 m -59.61 161.72 5.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.873 -0.603 . . . . 0.65 111.022 -176.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 22.0 t70 -57.15 -28.01 62.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.375 0.607 . . . . 2.62 110.638 178.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 4.3 m120 -89.85 18.2 5.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.444 -0.798 . . . . 2.75 110.996 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 33.6 m80 56.1 51.54 11.74 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.204 0.526 . . . . 1.05 110.747 -176.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -116.74 143.48 45.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.986 -0.552 . . . . 1.91 109.55 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 72.1 m -101.94 108.35 19.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.968 0.413 . . . . 0.42 111.504 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1122 ' ' ILE . . . . . 0.468 HD13 ' SG ' ' A' 1134 ' ' CYS . 42.9 pt -120.91 174.92 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.693 -0.685 . . . . 0.19 109.754 175.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 28.2 t -76.43 144.58 39.88 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.745 -0.465 . . . . 0.33 109.745 174.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 94.9 mttt -65.23 -21.17 66.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.488 -0.323 . . . . 1.24 110.803 177.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 17.9 m120 -78.31 -10.99 59.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.033 0.444 . . . . 1.75 110.501 176.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1126 ' ' TRP . . . . . 0.502 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 43.8 m0 -91.38 -12.67 34.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.017 -0.538 . . . . 0.58 110.097 178.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 59.1 t -71.09 122.32 22.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 116.226 -0.443 . . . . 0.24 111.193 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 35.4 t 64.07 49.45 2.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.614 0.721 . . . . 0.58 110.042 176.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -116.79 16.65 15.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.321 -0.854 . . . . 0.46 110.321 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 82.0 p 59.87 28.49 17.99 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.621 1.169 . . . . 0.73 112.418 -177.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -128.38 136.76 51.36 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.154 -0.475 . . . . 1.21 109.891 173.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -84.48 57.72 4.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.332 0.587 . . . . 2.58 111.569 -176.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1133 ' ' ASP . . . . . 0.502 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.1 OUTLIER -62.95 -36.33 83.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.674 -0.694 . . . . 1.28 110.871 175.824 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1134 ' ' CYS . . . . . 0.652 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 94.7 m -75.29 4.84 6.4 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.698 0.258 . . . . 1.57 111.698 175.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 78.76 -69.23 2.9 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.858 -0.687 . . . . 1.68 111.758 -177.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 5.6 t70 -68.44 -24.82 64.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.568 0.699 . . . . 2.85 110.399 174.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 80.32 32.64 34.27 Favored Glycine 0 N--CA 1.443 -0.889 0 N-CA-C 110.592 -1.003 . . . . 0.62 110.592 -173.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1138 ' ' SER . . . . . 0.464 ' HA ' ' HG2' ' A' 1141 ' ' LYS . 3.5 p -67.97 -24.58 65.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.87 0.367 . . . . 0.44 111.269 -178.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1139 ' ' ASP . . . . . 0.652 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 6.2 p-10 -67.15 -28.27 67.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.56 0.695 . . . . 0.33 109.304 173.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -82.66 -38.6 23.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.068 -0.969 . . . . 0.44 110.277 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1141 ' ' LYS . . . . . 0.464 ' HG2' ' HA ' ' A' 1138 ' ' SER . 41.6 pttt -75.23 -27.29 59.46 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.968 -0.56 . . . . 1.55 110.542 -177.181 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -93.39 53.8 1.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.628 0.728 . . . . 2.05 109.437 176.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 44.2 t -138.36 72.35 1.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.435 -0.802 . . . . 1.67 110.224 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 9.5 p30 50.45 -175.87 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.562 1.145 . . . . 4.59 113.279 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 88.1 p 53.43 -166.6 0.07 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.009 0.924 . . . . 5.4 112.291 177.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 11.1 p -89.93 42.76 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.374 -0.376 . . . . 8.15 111.266 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -72.12 -20.67 61.59 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 121.373 0.606 . . . . 9.87 109.833 175.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.446 -0.643 0 CA-C-N 115.384 -0.826 . . . . 11.12 109.194 170.919 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 N--CA 1.478 0.925 0 N-CA-C 110.209 -0.293 . . . . 12.26 110.209 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -123.91 75.19 1.34 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.265 0.555 . . . . 11.34 109.833 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -100.54 129.95 26.68 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.718 -0.674 . . . . 8.3 110.174 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.41 153.68 50.37 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.366 2.044 . . . . 6.09 111.743 177.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -80.31 39.63 0.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.202 0.525 . . . . 4.73 111.527 -176.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 13.4 p -86.19 124.09 32.2 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.92 -0.582 . . . . 2.97 110.116 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 85.6 m -78.47 -177.2 5.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.186 -0.461 . . . . 0.72 110.828 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1110 ' ' LEU . . . . . 0.411 ' HB3' ' HG3' ' A' 1113 ' ' GLN . 9.2 tp -58.66 162.94 3.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.162 -0.472 . . . . 0.52 110.423 177.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.55 -47.98 83.78 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.549 -0.46 . . . . 2.32 110.008 176.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 22.2 p -82.29 -3.2 54.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.821 -0.627 . . . . 0.52 111.616 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1113 ' ' GLN . . . . . 0.411 ' HG3' ' HB3' ' A' 1110 ' ' LEU . 73.5 mt-30 -91.39 152.7 20.3 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.547 0.689 . . . . 1.02 111.6 177.503 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 87.3 t80 -101.92 148.01 25.84 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.577 -1.192 . . . . 0.41 108.962 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 7.2 m -111.32 104.94 13.46 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 116.019 -0.537 . . . . 0.31 109.727 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1116 ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' 1120 ' ' GLN . 71.9 m -59.8 160.3 7.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.139 -0.482 . . . . 0.65 111.415 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -56.4 -44.39 80.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.86 0.362 . . . . 2.62 110.524 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -83.15 16.2 2.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 2.75 111.511 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 58.6 m80 66.72 83.79 0.16 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.287 0.635 . . . . 1.05 112.031 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1120 ' ' GLN . . . . . 0.468 ' HB3' ' SG ' ' A' 1116 ' ' CYS . 59.2 tp60 -142.6 131.28 22.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.493 -0.776 . . . . 1.91 108.936 175.138 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 62.6 m -94.78 111.48 23.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.937 0.399 . . . . 0.42 111.262 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1122 ' ' ILE . . . . . 0.417 HD13 ' HB2' ' A' 1134 ' ' CYS . 44.8 pt -124.27 -176.94 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.135 -0.691 . . . . 0.19 109.135 173.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 29.6 t -78.75 143.46 36.13 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.8 0.333 . . . . 0.33 110.342 175.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 95.8 mttt -67.43 -16.04 64.01 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.885 0.374 . . . . 1.24 110.383 174.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 65.3 t30 -76.75 -17.5 59.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.411 0.624 . . . . 1.75 109.55 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 43.4 m0 -89.24 -7.8 54.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.547 -0.751 . . . . 0.58 110.653 -178.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1127 ' ' VAL . . . . . 0.43 ' HA ' ' HB2' ' A' 1139 ' ' ASP . 90.2 t -70.67 111.4 4.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 116.047 -0.524 . . . . 0.24 110.676 178.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 48.5 t 64.85 47.07 2.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.698 0.761 . . . . 0.58 109.941 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -109.43 18.65 20.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.576 -0.738 . . . . 0.46 110.481 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 68.5 p 52.9 42.15 32.02 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 123.669 0.788 . . . . 0.73 111.352 -177.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 12.3 t70 -139.27 147.35 41.56 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 116.054 -0.521 . . . . 1.21 109.775 175.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -86.31 36.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.725 0.641 . . . . 2.58 112.698 -171.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1133 ' ' ASP . . . . . 0.524 ' O ' ' HB3' ' A' 1134 ' ' CYS . 0.7 OUTLIER -62.7 169.54 3.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.597 -0.52 . . . . 1.28 109.597 169.122 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1134 ' ' CYS . . . . . 0.524 ' HB3' ' O ' ' A' 1133 ' ' ASP . 42.2 t 73.26 154.2 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.684 0.615 . . . . 1.57 110.16 -176.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -95.49 30.4 8.34 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.548 -0.834 . . . . 1.68 112.167 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 20.9 t70 -158.25 -47.15 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.8 0.333 . . . . 2.85 111.273 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 104.83 11.12 31.12 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.723 -0.751 . . . . 0.62 112.003 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1138 ' ' SER . . . . . 0.442 ' O ' ' HG2' ' A' 1141 ' ' LYS . 63.4 p -64.96 -16.04 62.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.095 0.474 . . . . 0.44 110.979 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1139 ' ' ASP . . . . . 0.43 ' HB2' ' HA ' ' A' 1127 ' ' VAL . 7.6 p-10 -73.61 -34.83 65.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.763 -0.653 . . . . 0.33 109.98 177.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -81.26 -29.36 34.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.899 -0.591 . . . . 0.44 110.096 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1141 ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' 1138 ' ' SER . 14.2 pttp -74.31 -31.69 62.57 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.078 -0.51 . . . . 1.55 110.884 -177.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 5.4 t30 -82.1 64.34 6.73 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.467 0.651 . . . . 2.05 109.518 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 44.6 t -179.44 153.12 0.55 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.086 -0.961 . . . . 1.67 109.234 -173.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 23.0 p30 -69.85 -20.66 63.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.01 -0.541 . . . . 4.59 110.913 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 86.6 p 58.94 168.5 0.06 Allowed 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.516 1.126 . . . . 5.4 112.284 177.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 21.1 p -90.34 65.14 6.17 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.812 -0.631 . . . . 8.15 109.919 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -25.0 66.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.29 -0.868 . . . . 9.87 112.321 -174.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 29.0 m . . . . . 0 C--N 1.325 -0.496 0 CA-C-O 120.989 0.423 . . . . 11.12 109.896 177.401 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 91.5 m . . . . . 0 N--CA 1.477 0.915 0 CA-C-O 120.778 0.323 . . . . 12.26 110.833 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -159.19 120.09 3.24 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.634 -0.506 . . . . 11.34 109.634 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -69.58 119.78 73.09 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.493 -0.321 . . . . 8.3 111.159 -177.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -82.96 134.89 7.32 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.833 2.355 . . . . 6.09 111.956 177.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -127.84 130.35 48.47 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.254 -0.43 . . . . 4.73 110.334 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 13.1 p -85.19 37.33 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 122.152 0.977 . . . . 2.97 110.503 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 64.2 m -134.29 -166.03 1.74 Allowed 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.176 -1.375 . . . . 0.72 109.703 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 7.8 tp -54.44 158.1 2.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.784 -0.644 . . . . 0.52 110.826 176.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.8 -25.9 68.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.282 -0.417 . . . . 2.32 110.912 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 19.3 p -104.72 4.14 32.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.208 -0.451 . . . . 0.52 111.036 177.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -100.84 155.33 17.99 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.384 0.611 . . . . 1.02 111.415 177.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 76.2 t80 -106.81 152.54 23.73 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.87 -1.059 . . . . 0.41 109.147 177.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 20.4 m -115.38 99.07 7.11 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 116.118 -0.492 . . . . 0.31 109.893 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1116 ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 88.7 m -74.18 -175.38 2.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.761 -0.654 . . . . 0.65 112.466 -177.172 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -53.88 -42.99 69.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.682 -0.69 . . . . 2.62 111.674 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -85.74 18.45 2.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.679 -0.237 . . . . 2.75 111.158 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 32.6 m170 58.42 27.93 16.15 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.186 0.517 . . . . 1.05 109.813 -173.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -72.62 112.28 8.52 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.342 -0.844 . . . . 1.91 109.298 -177.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 71.2 m -80.81 98.12 7.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.352 0.596 . . . . 0.42 110.526 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1122 ' ' ILE . . . . . 0.532 HD13 ' SG ' ' A' 1134 ' ' CYS . 48.4 pt -112.57 175.84 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.312 -0.858 . . . . 0.19 109.192 176.352 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 16.5 t -74.52 146.21 42.85 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.493 -0.483 . . . . 0.33 109.898 175.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.63 -13.68 59.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 1.24 110.271 174.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -85.1 -16.09 41.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.041 -0.527 . . . . 1.75 110.367 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1126 ' ' TRP . . . . . 0.589 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 44.2 m0 -89.5 -9.93 48.18 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 121.386 0.612 . . . . 0.58 109.96 178.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 95.0 t -69.32 118.38 13.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.212 -0.904 . . . . 0.24 109.958 175.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 41.4 t 65.42 48.21 2.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.784 -0.644 . . . . 0.58 109.935 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -112.35 9.14 19.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.824 -0.626 . . . . 0.46 110.112 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 56.2 p 55.37 25.19 7.33 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.189 0.996 . . . . 0.73 112.574 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 23.3 t70 -128.98 140.0 51.84 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.29 -0.633 . . . . 1.21 109.29 173.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -77.24 102.24 6.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.45 0.643 . . . . 2.58 111.728 -171.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1133 ' ' ASP . . . . . 0.589 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.2 OUTLIER -115.43 -21.64 9.71 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.204 -0.907 . . . . 1.28 109.778 174.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1134 ' ' CYS . . . . . 0.532 ' SG ' HD13 ' A' 1122 ' ' ILE . 96.4 m -120.75 141.33 50.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.083 -0.508 . . . . 1.57 110.771 175.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -51.77 -64.8 3.63 Favored Glycine 0 C--N 1.335 0.512 0 N-CA-C 114.256 0.462 . . . . 1.68 114.256 -172.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 13.5 t70 -66.25 -15.48 63.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.203 0.525 . . . . 2.85 111.607 -177.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 71.16 32.15 65.86 Favored Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 109.938 -1.265 . . . . 0.62 109.938 -170.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1138 ' ' SER . . . . . 0.439 ' HA ' ' CD ' ' A' 1141 ' ' LYS . 8.6 p -68.46 -26.07 65.31 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.028 -0.586 . . . . 0.44 111.059 -176.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1139 ' ' ASP . . . . . 0.407 ' HB3' ' SG ' ' A' 1116 ' ' CYS . 8.9 p-10 -68.79 -33.82 74.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.819 -0.628 . . . . 0.33 109.588 174.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -78.51 -39.86 36.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.783 -0.644 . . . . 0.44 110.181 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1141 ' ' LYS . . . . . 0.439 ' CD ' ' HA ' ' A' 1138 ' ' SER . 46.6 pttt -68.7 -25.96 65.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.047 -0.524 . . . . 1.55 110.778 -176.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 6.7 t30 -81.69 43.31 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 122.031 0.92 . . . . 2.05 109.01 175.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 42.2 t -171.76 -54.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.029 -0.987 . . . . 1.67 109.743 -176.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -114.28 96.81 5.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 4.59 110.772 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 32.0 p -167.03 137.27 3.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.952 -0.567 . . . . 5.4 110.215 177.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 23.0 p -89.11 47.89 1.55 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.286 0.565 . . . . 8.15 110.821 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -13.6 62.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.736 -0.666 . . . . 9.87 111.655 -177.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 C--N 1.327 -0.391 0 CA-C-O 121.252 0.549 . . . . 11.12 110.403 176.119 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 120.777 0.322 . . . . 12.26 110.637 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 50.2 t-80 64.22 84.54 0.15 Allowed 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 115.896 -0.593 . . . . 11.34 110.844 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -67.53 129.87 93.41 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.897 -0.592 . . . . 8.3 110.418 179.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.7 125.06 16.77 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.625 2.217 . . . . 6.09 111.952 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -86.3 153.66 21.81 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.855 -0.611 . . . . 4.73 110.369 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 22.9 p -79.43 135.33 36.65 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.813 -0.44 . . . . 2.97 109.813 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 95.4 m -67.99 178.17 1.91 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.791 -0.641 . . . . 0.72 111.44 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 7.8 tp -48.01 151.26 0.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 123.21 0.604 . . . . 0.52 111.296 -175.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 32.8 t70 -61.77 -27.06 68.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.175 0.512 . . . . 2.32 110.312 177.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 6.8 p -99.03 5.0 47.29 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.792 -0.64 . . . . 0.52 111.16 176.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1113 ' ' GLN . . . . . 0.426 ' HA ' ' O ' ' A' 1122 ' ' ILE . 65.0 mt-30 -99.09 146.65 25.87 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.746 0.784 . . . . 1.02 111.808 176.274 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1114 ' ' TYR . . . . . 0.554 ' O ' ' HA ' ' A' 1121 ' ' CYS . 77.7 t80 -107.04 144.41 33.73 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.503 -1.226 . . . . 0.41 108.788 175.5 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 3.0 m -96.83 100.93 12.45 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 109.22 -0.659 . . . . 0.31 109.22 -178.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1116 ' ' CYS . . . . . 0.47 ' HB2' ' O ' ' A' 1120 ' ' GLN . 47.3 m -68.06 171.86 6.36 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.594 0.961 . . . . 0.65 113.594 -172.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1117 ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' 1118 ' ' ASN . 2.0 p30 -49.83 -50.08 46.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.437 -1.256 . . . . 2.62 111.474 172.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1118 ' ' ASN . . . . . 0.426 ' N ' ' OD1' ' A' 1117 ' ' ASP . 11.5 t-20 -76.41 8.24 3.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.813 -0.63 . . . . 2.75 111.198 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 56.5 m80 70.14 3.89 4.59 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.329 0.652 . . . . 1.05 111.255 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1120 ' ' GLN . . . . . 0.47 ' O ' ' HB2' ' A' 1116 ' ' CYS . 51.1 tp60 -72.93 137.17 45.38 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.484 -0.932 . . . . 1.91 108.484 173.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1121 ' ' CYS . . . . . 0.554 ' HA ' ' O ' ' A' 1114 ' ' TYR . 88.1 m -105.6 119.09 38.24 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.715 0.769 . . . . 0.42 111.376 -177.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1122 ' ' ILE . . . . . 0.445 ' HB ' ' CE3' ' A' 1126 ' ' TRP . 40.1 pt -109.79 173.74 2.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 114.496 -1.229 . . . . 0.19 109.44 -177.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 46.9 t -74.76 136.76 41.71 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.098 -0.705 . . . . 0.33 109.098 174.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.31 -21.34 63.88 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.802 0.334 . . . . 1.24 110.752 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -63.91 -26.44 68.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.874 -0.603 . . . . 1.75 110.95 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1126 ' ' TRP . . . . . 0.445 ' CE3' ' HB ' ' A' 1122 ' ' ILE . 33.3 m0 -82.04 -18.83 41.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.063 0.459 . . . . 0.58 110.383 -178.087 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 84.2 t -65.9 118.74 9.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.897 -0.592 . . . . 0.24 110.748 -177.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1128 ' ' CYS . . . . . 0.441 ' HB2' ' HB2' ' A' 1143 ' ' CYS . 41.9 t 66.82 53.98 0.83 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.463 -0.79 . . . . 0.58 110.335 178.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -117.48 27.08 9.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.426 -0.807 . . . . 0.46 110.144 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 41.1 p 53.37 38.29 27.5 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.077 -0.965 . . . . 0.73 112.026 -177.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -152.24 130.69 12.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.793 -0.64 . . . . 1.21 110.137 176.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -74.35 101.75 4.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.506 0.193 . . . . 2.58 111.147 -177.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -93.87 -37.99 11.45 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.867 0.365 . . . . 1.28 110.227 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1134 ' ' CYS . . . . . 0.675 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 61.5 m -72.33 -177.75 2.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.96 -0.564 . . . . 1.57 110.763 177.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -71.88 -52.18 12.66 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.538 -0.839 . . . . 1.68 111.886 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -92.99 -27.36 17.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.329 0.585 . . . . 2.85 109.968 178.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 111.05 30.68 3.1 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.497 -0.774 . . . . 0.62 111.661 178.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1138 ' ' SER . . . . . 0.464 ' HA ' ' HG2' ' A' 1141 ' ' LYS . 92.0 p -62.79 -27.03 69.02 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.444 0.298 . . . . 0.44 111.584 -176.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1139 ' ' ASP . . . . . 0.675 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 5.0 p-10 -67.0 -26.83 66.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.294 0.569 . . . . 0.33 110.384 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -87.66 -31.9 19.52 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.967 -0.561 . . . . 0.44 110.604 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1141 ' ' LYS . . . . . 0.464 ' HG2' ' HA ' ' A' 1138 ' ' SER . 16.5 pttp -75.06 -29.98 60.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.178 0.513 . . . . 1.55 110.187 -178.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 5.5 t30 -82.63 68.67 9.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.72 -0.673 . . . . 2.05 109.693 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1143 ' ' CYS . . . . . 0.441 ' HB2' ' HB2' ' A' 1128 ' ' CYS . 48.8 t -170.23 114.56 0.48 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.971 -0.559 . . . . 1.67 110.272 -176.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 8.9 p30 38.08 58.83 1.46 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.948 0.899 . . . . 4.59 112.018 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 13.0 p -69.87 -81.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.601 -0.727 . . . . 5.4 110.872 -177.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 25.7 p -92.14 79.13 5.15 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.104 0.478 . . . . 8.15 111.064 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.07 -18.03 23.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.309 0.576 . . . . 9.87 111.067 178.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 CA--C 1.532 0.264 0 CA-C-N 114.929 -1.032 . . . . 11.12 111.336 174.348 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 30.2 m . . . . . 0 N--CA 1.475 0.807 0 CA-C-O 120.73 0.3 . . . . 12.26 110.668 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 48.7 m80 -75.03 137.79 41.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.969 0.414 . . . . 11.34 110.534 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1105 ' ' ALA . . . . . 0.423 ' HA ' ' HD3' ' A' 1106 ' ' PRO . . . -100.13 135.38 20.37 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-N 115.786 -0.643 . . . . 8.3 111.127 -177.119 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1106 ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' 1105 ' ' ALA . 39.2 Cg_exo -62.22 167.48 10.9 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.91 2.407 . . . . 6.09 111.959 173.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -79.73 87.41 5.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.281 -0.418 . . . . 4.73 110.674 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 13.0 p -86.17 96.63 9.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.196 -0.456 . . . . 2.97 110.784 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 38.6 m -75.93 -173.15 2.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.179 -0.464 . . . . 0.72 110.543 178.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 11.5 tp -60.94 162.03 7.49 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.453 -0.34 . . . . 0.52 110.817 -178.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -62.19 -39.45 92.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.403 0.62 . . . . 2.32 109.699 176.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 14.2 p -96.92 6.78 48.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.358 -0.837 . . . . 0.52 111.544 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1113 ' ' GLN . . . . . 0.696 ' OE1' ' HB3' ' A' 1121 ' ' CYS . 53.0 mt-30 -99.99 160.71 14.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.127 0.489 . . . . 1.02 111.317 174.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1114 ' ' TYR . . . . . 0.424 ' O ' ' HA ' ' A' 1121 ' ' CYS . 66.9 t80 -113.81 154.4 27.49 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.41 -0.814 . . . . 0.41 110.04 178.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 7.5 m -109.97 107.3 17.15 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.991 -0.549 . . . . 0.31 109.944 177.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 92.6 m -75.84 175.87 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.508 -0.315 . . . . 0.65 111.529 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -62.9 -28.47 70.07 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.161 0.505 . . . . 2.62 110.659 -178.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -82.62 9.43 9.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.868 -0.606 . . . . 2.75 110.39 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 67.1 m80 63.03 26.59 15.53 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.888 -0.596 . . . . 1.05 110.332 -176.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -85.97 130.63 34.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.325 -0.852 . . . . 1.91 109.97 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1121 ' ' CYS . . . . . 0.696 ' HB3' ' OE1' ' A' 1113 ' ' GLN . 61.6 m -94.76 102.18 14.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.988 0.423 . . . . 0.42 110.992 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 45.5 pt -110.74 173.92 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.105 -0.498 . . . . 0.19 110.231 176.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 10.5 t -72.08 141.31 49.23 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 110.056 -0.35 . . . . 0.33 110.056 175.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1124 ' ' LYS . . . . . 0.48 ' HE3' ' O ' ' A' 1113 ' ' GLN . 92.2 mttt -65.57 -16.32 63.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.759 0.314 . . . . 1.24 110.602 176.222 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -77.12 -22.22 53.0 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.184 0.516 . . . . 1.75 109.816 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1126 ' ' TRP . . . . . 0.52 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 50.5 m0 -86.47 -10.31 54.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.859 -0.609 . . . . 0.58 110.469 -178.256 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1127 ' ' VAL . . . . . 0.415 ' HA ' ' OD2' ' A' 1139 ' ' ASP . 93.9 t -69.84 121.69 19.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.856 -0.611 . . . . 0.24 110.685 178.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 28.1 t 64.42 49.6 2.44 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.601 0.715 . . . . 0.58 110.207 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -114.32 14.66 18.05 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.576 -0.738 . . . . 0.46 110.318 -178.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 72.8 p 57.41 29.84 17.61 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.961 0.905 . . . . 0.73 112.133 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 14.5 t70 -133.46 140.79 47.48 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 116.244 -0.434 . . . . 1.21 109.974 174.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 10.0 m120 -84.41 67.87 10.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.334 0.588 . . . . 2.58 111.533 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1133 ' ' ASP . . . . . 0.52 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.0 OUTLIER -62.95 -45.6 91.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.342 -0.845 . . . . 1.28 108.892 169.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1134 ' ' CYS . . . . . . . . . . . . . 70.1 m -94.89 136.54 35.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.635 -0.711 . . . . 1.57 109.67 169.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -52.28 -54.7 25.46 Favored Glycine 0 C--O 1.236 0.244 0 C-N-CA 121.448 -0.406 . . . . 1.68 113.868 -170.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -83.91 0.94 45.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.902 0.382 . . . . 2.85 111.829 -175.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 59.96 40.76 97.36 Favored Glycine 0 N--CA 1.453 -0.232 0 CA-C-N 115.653 -0.703 . . . . 0.62 113.071 175.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1138 ' ' SER . . . . . 0.568 ' O ' ' HG2' ' A' 1141 ' ' LYS . 2.1 p -74.38 -16.05 60.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.996 0.427 . . . . 0.44 110.827 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1139 ' ' ASP . . . . . 0.415 ' OD2' ' HA ' ' A' 1127 ' ' VAL . 4.5 p-10 -73.71 -35.08 65.07 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.138 -0.69 . . . . 0.33 109.138 174.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -72.32 -39.56 68.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.435 -0.802 . . . . 0.44 109.873 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1141 ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' 1138 ' ' SER . 15.2 pttp -66.49 -28.68 68.77 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.259 0.552 . . . . 1.55 109.871 178.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 5.3 t30 -81.96 60.63 4.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.516 -0.765 . . . . 2.05 109.185 177.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 30.8 t -179.81 -42.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.401 -0.818 . . . . 1.67 110.29 -174.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 9.9 p30 -150.4 151.31 32.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.049 -0.523 . . . . 4.59 110.449 -178.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 15.9 m -96.74 -47.49 5.86 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.641 -0.709 . . . . 5.4 110.035 175.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 63.3 p -91.38 73.6 6.1 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.555 -0.748 . . . . 8.15 111.525 -177.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -32.63 74.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.054 -0.521 . . . . 9.87 110.521 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--N 1.324 -0.514 0 CA-C-O 121.369 0.604 . . . . 11.12 110.985 178.302 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 6.9 t . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 120.508 0.194 . . . . 12.26 110.836 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 70.5 m80 64.2 93.7 0.06 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.323 0.582 . . . . 11.34 111.733 176.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -62.14 124.29 81.56 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.321 -0.854 . . . . 8.3 110.859 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.6 145.73 68.39 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.997 2.465 . . . . 6.09 112.278 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -78.03 74.95 4.57 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.141 0.496 . . . . 4.73 110.746 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 13.2 p -77.79 130.64 36.96 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.877 -0.602 . . . . 2.97 110.15 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 74.9 m -80.27 178.34 8.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.912 0.387 . . . . 0.72 111.693 -176.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 9.3 tp -57.5 157.84 6.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.664 -0.698 . . . . 0.52 110.552 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -66.96 -26.58 66.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.053 0.454 . . . . 2.32 109.798 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 6.5 p -99.42 1.8 44.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.73 -0.668 . . . . 0.52 111.18 177.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -100.37 164.89 11.72 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.263 0.554 . . . . 1.02 111.115 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 71.0 t80 -109.15 150.34 28.01 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.037 -0.983 . . . . 0.41 109.639 173.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 9.6 m -113.41 103.25 11.1 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.704 -0.68 . . . . 0.31 109.614 178.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 76.5 m -66.34 169.3 7.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.428 -0.351 . . . . 0.65 111.337 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 15.1 t70 -54.74 -47.02 74.35 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.565 -0.289 . . . . 2.62 111.775 -172.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -88.44 30.12 0.92 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.801 0.334 . . . . 2.75 111.551 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 64.0 m170 59.76 64.33 1.32 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.709 -0.678 . . . . 1.05 112.108 175.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1120 ' ' GLN . . . . . 0.497 ' HA ' ' OE1' ' A' 1120 ' ' GLN . 6.0 tp60 -118.46 128.38 54.55 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.601 -0.518 . . . . 1.91 109.601 173.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 75.2 m -90.38 112.62 24.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.937 -0.574 . . . . 0.42 110.997 -178.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1122 ' ' ILE . . . . . 0.438 HD13 ' SG ' ' A' 1134 ' ' CYS . 38.3 pt -129.88 169.95 19.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.713 -0.676 . . . . 0.19 110.07 177.111 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 13.1 t -70.83 144.68 50.7 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.869 -0.419 . . . . 0.33 109.869 175.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 97.1 mttt -68.65 -11.05 59.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.368 . . . . 1.24 110.138 175.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -79.56 -20.47 46.98 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.21 0.528 . . . . 1.75 109.841 174.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1126 ' ' TRP . . . . . 0.475 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 46.0 m0 -87.55 -13.71 42.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.766 -0.652 . . . . 0.58 110.336 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 89.5 t -69.98 120.49 17.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.118 -0.492 . . . . 0.24 110.416 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 41.9 t 63.59 48.89 3.22 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.627 0.727 . . . . 0.58 110.368 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -114.34 12.35 17.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.661 -0.7 . . . . 0.46 109.723 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 57.9 p 56.19 31.41 18.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.815 -1.084 . . . . 0.73 112.318 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 21.7 t70 -131.07 146.65 52.45 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-N 116.347 -0.388 . . . . 1.21 110.195 174.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -82.69 88.25 6.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.697 -0.683 . . . . 2.58 111.218 -176.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1133 ' ' ASP . . . . . 0.475 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.0 OUTLIER -98.09 -18.83 18.31 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.607 -0.724 . . . . 1.28 110.19 178.459 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1134 ' ' CYS . . . . . 0.438 ' SG ' HD13 ' A' 1122 ' ' ILE . 87.8 m -118.98 146.39 45.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.939 -0.573 . . . . 1.57 110.095 175.112 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -79.88 47.39 3.31 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 121.164 -0.541 . . . . 1.68 112.963 -176.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 3.9 p30 -164.91 -35.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 122.607 0.363 . . . . 2.85 110.671 178.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 90.68 18.3 48.68 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.087 -0.578 . . . . 0.62 111.898 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1138 ' ' SER . . . . . 0.53 ' O ' ' HG2' ' A' 1141 ' ' LYS . 37.3 p -69.05 -22.77 64.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.563 0.22 . . . . 0.44 111.397 -177.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1139 ' ' ASP . . . . . 0.515 ' HA ' ' ND2' ' A' 1142 ' ' ASN . 3.3 p-10 -69.17 -32.76 72.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.347 0.594 . . . . 0.33 109.814 176.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -79.65 -26.55 41.03 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.713 -0.676 . . . . 0.44 110.377 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1141 ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' 1138 ' ' SER . 54.2 pttt -82.69 -26.96 31.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.319 -0.401 . . . . 1.55 111.679 -174.009 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1142 ' ' ASN . . . . . 0.515 ' ND2' ' HA ' ' A' 1139 ' ' ASP . 7.8 p30 -87.21 17.6 4.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.057 0.456 . . . . 2.05 110.644 -178.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 34.0 t -75.71 63.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.466 0.65 . . . . 1.67 110.933 -178.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 7.7 p30 -150.83 36.55 0.62 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.464 -0.789 . . . . 4.59 108.997 176.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 52.1 p -65.4 151.38 46.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.045 -0.98 . . . . 5.4 111.289 -176.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 13.7 p -70.36 96.06 1.1 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.999 -0.546 . . . . 8.15 110.653 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -67.96 -25.58 65.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.68 -0.691 . . . . 9.87 110.457 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 22.8 m . . . . . 0 N--CA 1.445 -0.699 0 CA-C-N 115.566 -0.743 . . . . 11.12 109.219 175.527 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 23.7 m . . . . . 0 N--CA 1.473 0.717 0 N-CA-C 110.406 -0.22 . . . . 12.26 110.406 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -63.09 116.74 5.65 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.934 -0.395 . . . . 11.34 109.934 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -62.97 128.71 92.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.866 -0.606 . . . . 8.3 110.431 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -68.16 118.31 5.54 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.273 1.982 . . . . 6.09 111.301 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -89.7 176.66 6.77 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.894 -0.594 . . . . 4.73 110.895 -176.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 9.5 p -70.07 138.69 52.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.065 -0.516 . . . . 2.97 109.837 176.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 38.5 m -78.1 172.2 13.88 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.134 -0.485 . . . . 0.72 110.503 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.2 tp -56.93 151.16 15.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.97 -0.559 . . . . 0.52 109.949 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.12 -23.54 67.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.978 0.418 . . . . 2.32 110.337 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1112 ' ' THR . . . . . 0.576 ' O ' ' HG3' ' A' 1124 ' ' LYS . 5.1 p -100.93 7.47 43.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.07 -0.514 . . . . 0.52 111.095 175.246 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1113 ' ' GLN . . . . . 0.713 ' OE1' ' HB3' ' A' 1121 ' ' CYS . 59.2 mt-30 -105.87 167.67 9.63 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.272 0.558 . . . . 1.02 110.896 173.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 61.3 t80 -107.76 151.12 26.13 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.356 -0.838 . . . . 0.41 110.013 177.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 10.6 m -108.16 114.09 27.71 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.565 -0.743 . . . . 0.31 109.746 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 23.6 m -76.12 167.56 21.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.584 -0.28 . . . . 0.65 110.848 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 25.2 t70 -56.88 -36.86 70.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.235 0.54 . . . . 2.62 110.68 177.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -79.83 12.74 2.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.8 -0.636 . . . . 2.75 111.248 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 39.1 m80 63.98 26.44 14.12 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 122.765 0.426 . . . . 1.05 110.883 -177.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -87.83 151.91 22.5 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.378 -0.601 . . . . 1.91 109.378 178.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1121 ' ' CYS . . . . . 0.713 ' HB3' ' OE1' ' A' 1113 ' ' GLN . 60.0 m -113.18 113.59 25.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.099 0.476 . . . . 0.42 111.577 -176.16 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1122 ' ' ILE . . . . . 0.413 ' HB ' ' CE3' ' A' 1126 ' ' TRP . 38.5 pt -120.83 169.2 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.836 -0.62 . . . . 0.19 109.734 177.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 14.3 t -72.63 145.9 46.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.868 0.366 . . . . 0.33 110.127 175.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1124 ' ' LYS . . . . . 0.576 ' HG3' ' O ' ' A' 1112 ' ' THR . 49.8 mttm -67.78 -15.8 63.81 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.096 -0.502 . . . . 1.24 110.556 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 16.1 m120 -74.13 -22.24 59.54 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 120.982 0.42 . . . . 1.75 110.71 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1126 ' ' TRP . . . . . 0.413 ' CE3' ' HB ' ' A' 1122 ' ' ILE . 36.0 m0 -79.88 -23.42 41.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.118 -0.492 . . . . 0.58 110.189 -178.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 67.0 t -64.16 116.61 3.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.101 -0.499 . . . . 0.24 111.031 -176.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1128 ' ' CYS . . . . . 0.434 ' HB2' ' HB2' ' A' 1143 ' ' CYS . 41.6 t 64.36 52.08 1.94 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 122.114 0.959 . . . . 0.58 110.179 178.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -110.19 14.11 22.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.163 -0.926 . . . . 0.46 109.54 176.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 40.9 p 66.17 8.29 5.44 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.094 1.357 . . . . 0.73 112.217 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 31.8 t70 -120.68 104.0 9.57 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.081 -0.711 . . . . 1.21 109.081 172.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 9.0 p30 -59.53 128.64 38.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.139 0.495 . . . . 2.58 111.978 -173.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1133 ' ' ASP . . . . . 0.403 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 18.3 m-20 -113.66 -172.23 2.04 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.947 -0.76 . . . . 1.28 108.947 176.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1134 ' ' CYS . . . . . . . . . . . . . 35.6 m 66.89 9.34 6.75 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.105 0.253 . . . . 1.57 111.373 177.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 74.65 -47.02 1.75 Allowed Glycine 0 CA--C 1.522 0.517 0 C-N-CA 121.319 -0.467 . . . . 1.68 112.892 -176.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -95.76 -8.1 35.37 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.099 0.407 . . . . 2.85 112.099 -177.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 75.91 30.99 56.78 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.559 -0.829 . . . . 0.62 112.574 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1138 ' ' SER . . . . . . . . . . . . . 27.6 p -73.64 -1.02 17.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.049 0.452 . . . . 0.44 111.407 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -96.1 -26.68 15.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.121 0.486 . . . . 0.33 110.045 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1140 ' ' GLU . . . . . 0.415 ' OE1' ' HA ' ' A' 1128 ' ' CYS . 75.7 mm-40 -92.34 -9.04 43.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.008 -0.542 . . . . 0.44 110.315 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1141 ' ' LYS . . . . . . . . . . . . . 21.7 pttp -66.24 -28.96 69.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.093 0.473 . . . . 1.55 110.652 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 10.7 t30 -82.87 -6.97 59.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.647 0.737 . . . . 2.05 109.326 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1143 ' ' CYS . . . . . 0.434 ' HB2' ' HB2' ' A' 1128 ' ' CYS . 9.5 t -96.92 15.71 21.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.173 -0.921 . . . . 1.67 110.069 -178.247 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 3.9 p-10 43.01 53.01 5.24 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.748 -1.115 . . . . 4.59 111.969 -176.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 6.6 p -64.18 130.39 43.71 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.715 -0.675 . . . . 5.4 110.522 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 24.8 p -79.5 45.92 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.498 0.666 . . . . 8.15 111.268 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -88.53 -8.33 54.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.646 -0.706 . . . . 9.87 111.381 -176.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 6.3 m . . . . . 0 C--N 1.325 -0.49 0 CA-C-O 121.82 0.819 . . . . 11.12 110.195 179.912 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 16.9 p . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 110.523 -0.177 . . . . 12.26 110.523 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 15.4 t-80 61.8 94.94 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 O-C-N 123.474 0.484 . . . . 11.34 110.829 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1105 ' ' ALA . . . . . 0.45 ' HA ' ' HD3' ' A' 1106 ' ' PRO . . . -67.51 120.84 75.95 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.902 -0.59 . . . . 8.3 110.795 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1106 ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' 1105 ' ' ALA . 18.3 Cg_exo -66.2 125.56 14.26 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.624 2.216 . . . . 6.09 111.879 178.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -130.28 99.67 5.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.244 -0.434 . . . . 4.73 110.716 -178.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 23.5 p -85.45 -178.48 6.71 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.274 -0.421 . . . . 2.97 110.947 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 59.8 m -71.56 -175.03 1.21 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.084 -0.507 . . . . 0.72 111.819 -177.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.5 tp -60.21 160.99 7.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.675 -0.693 . . . . 0.52 110.386 177.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -64.44 -34.75 78.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.971 0.415 . . . . 2.32 110.222 176.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 29.5 p -89.69 -3.91 57.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.01 -0.541 . . . . 0.52 111.221 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -94.61 157.16 16.1 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 121.895 0.855 . . . . 1.02 112.129 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 88.2 t80 -103.14 150.82 23.26 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.158 -1.383 . . . . 0.41 108.652 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 12.9 m -115.29 100.44 8.13 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 116.218 -0.446 . . . . 0.31 109.933 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 34.4 m -60.01 162.85 5.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.732 -0.667 . . . . 0.65 110.332 178.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 13.8 t70 -67.78 -3.86 10.71 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.627 0.727 . . . . 2.62 110.414 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 14.0 m120 -104.4 15.56 27.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.27 -0.877 . . . . 2.75 110.175 177.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 30.7 m80 57.57 32.1 21.32 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.138 0.494 . . . . 1.05 111.204 -175.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -95.62 124.85 39.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.828 -0.624 . . . . 1.91 109.728 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 66.9 m -89.74 119.54 30.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.937 0.398 . . . . 0.42 110.975 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 45.0 pt -132.91 173.58 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.815 -0.63 . . . . 0.19 109.632 176.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 13.4 t -71.65 141.31 49.92 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.011 0.434 . . . . 0.33 110.114 174.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.72 -20.92 66.61 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 116.154 -0.475 . . . . 1.24 110.364 175.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -78.52 -13.77 59.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.001 0.429 . . . . 1.75 110.643 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 40.6 m0 -86.25 -17.71 34.02 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.975 -0.557 . . . . 0.58 110.29 177.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 60.0 t -67.68 120.59 15.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 116.454 -0.339 . . . . 0.24 111.107 -176.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 44.3 t 62.51 54.47 2.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.674 0.75 . . . . 0.58 110.395 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -116.95 27.59 9.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.493 -0.776 . . . . 0.46 110.262 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 40.2 p 60.31 16.52 6.27 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.458 1.103 . . . . 0.73 112.334 -179.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 15.2 t70 -133.38 119.92 20.29 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.708 -0.478 . . . . 1.21 109.708 177.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -69.95 106.35 3.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.265 0.555 . . . . 2.58 111.033 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -95.0 -39.73 10.02 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 116.219 -0.446 . . . . 1.28 110.708 -177.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1134 ' ' CYS . . . . . 0.601 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 21.4 m -73.83 152.97 40.11 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.264 -0.643 . . . . 1.57 109.264 175.407 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -49.94 -58.58 8.39 Favored Glycine 0 C--O 1.235 0.195 0 C-N-CA 120.969 -0.634 . . . . 1.68 112.592 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 31.1 t70 -75.8 -22.07 56.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.904 0.383 . . . . 2.85 110.926 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 95.46 27.96 10.15 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 121.149 -0.548 . . . . 0.62 112.613 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1138 ' ' SER . . . . . 0.451 ' HA ' ' HG2' ' A' 1141 ' ' LYS . 80.2 p -64.89 -23.25 67.17 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.141 0.422 . . . . 0.44 112.141 -175.157 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1139 ' ' ASP . . . . . 0.601 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 6.5 p-10 -70.5 -25.63 63.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.118 0.485 . . . . 0.33 110.568 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -90.33 -29.94 17.77 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.935 -0.575 . . . . 0.44 110.407 178.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1141 ' ' LYS . . . . . 0.451 ' HG2' ' HA ' ' A' 1138 ' ' SER . 46.2 pttt -75.54 -31.78 60.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.027 0.441 . . . . 1.55 110.11 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 6.4 t30 -82.51 70.21 9.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.334 0.588 . . . . 2.05 109.416 177.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 28.6 t -162.92 46.09 0.14 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.636 0.731 . . . . 1.67 109.657 -178.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -114.25 166.11 11.99 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.666 -0.697 . . . . 4.59 110.23 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 21.8 m 56.48 68.71 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.72 0.772 . . . . 5.4 111.363 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 14.4 p -90.87 88.13 6.92 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.975 -1.011 . . . . 8.15 110.915 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1147 ' ' GLU . . . . . 0.52 ' H ' ' CD ' ' A' 1147 ' ' GLU . 0.5 OUTLIER -64.04 -26.67 68.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.829 -0.623 . . . . 9.87 111.089 -177.483 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 116.413 -0.358 . . . . 11.12 111.195 178.653 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1103 ' ' THR . . . . . 0.411 ' O ' ' HB2' ' A' 1104 ' ' HIS . 18.4 p . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 111.941 0.349 . . . . 12.26 111.941 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1104 ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' 1103 ' ' THR . 38.8 m80 71.29 -58.25 0.58 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.179 0.592 . . . . 11.34 111.074 -178.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -61.01 133.51 92.57 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.251 -0.431 . . . . 8.3 109.914 175.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -49.44 119.83 5.05 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.076 2.517 . . . . 6.09 112.875 -176.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -79.08 73.62 5.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.627 -0.715 . . . . 4.73 110.619 -178.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 8.3 p -80.56 58.2 3.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.972 -0.558 . . . . 2.97 111.465 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 84.6 m -137.7 -176.56 4.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.838 -0.619 . . . . 0.72 110.312 176.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.7 tp -59.59 157.3 11.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.016 -0.538 . . . . 0.52 110.33 176.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 38.6 t70 -69.09 -24.35 64.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.05 0.452 . . . . 2.32 110.632 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 11.6 p -96.99 -1.28 45.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.098 0.475 . . . . 0.52 110.916 174.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -99.64 156.83 16.86 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 121.56 0.695 . . . . 1.02 111.525 178.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 75.8 t80 -106.14 151.05 25.23 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 114.723 -1.126 . . . . 0.41 108.925 177.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 22.1 m -114.33 107.53 15.7 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.064 0.459 . . . . 0.31 110.441 -177.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 82.7 m -67.28 170.46 7.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.66 -0.7 . . . . 0.65 111.845 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 7.2 t70 -58.15 -32.85 68.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.815 -0.629 . . . . 2.62 109.687 171.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 5.5 m120 -78.89 2.85 18.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.376 -0.829 . . . . 2.75 111.348 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 47.5 m80 64.4 27.2 13.62 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.189 0.519 . . . . 1.05 110.841 -174.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1120 ' ' GLN . . . . . 0.533 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 56.9 tp60 -88.15 140.42 29.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.734 -0.666 . . . . 1.91 109.458 176.424 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 59.9 m -103.84 103.21 13.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.371 -0.377 . . . . 0.42 111.477 -175.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 45.1 pt -107.28 -178.22 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.324 -0.398 . . . . 0.19 109.964 175.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 12.2 t -79.31 141.26 37.17 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.685 0.279 . . . . 0.33 110.337 175.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 93.6 mttt -66.05 -17.57 64.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.218 -0.446 . . . . 1.24 111.075 175.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -79.84 -17.68 52.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.056 0.455 . . . . 1.75 110.641 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 50.7 m0 -90.77 -9.11 47.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.05 -0.523 . . . . 0.58 110.778 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 71.2 t -67.48 125.27 24.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.924 -0.58 . . . . 0.24 111.159 -178.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 48.1 t 59.05 51.39 7.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.538 -0.755 . . . . 0.58 110.532 177.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -112.82 18.71 17.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.471 -0.786 . . . . 0.46 109.908 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 61.3 p 58.55 28.31 16.86 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.47 1.108 . . . . 0.73 112.626 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 33.9 t70 -143.02 145.78 33.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.833 -0.621 . . . . 1.21 109.473 171.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1132 ' ' ASN . . . . . 0.408 ' OD1' ' HA2' ' A' 1137 ' ' GLY . 44.5 t30 -90.9 112.78 24.77 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.2 0.524 . . . . 2.58 110.835 -178.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.79 -1.65 29.44 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 115.532 -0.758 . . . . 1.28 109.994 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1134 ' ' CYS . . . . . 0.533 ' SG ' ' HB3' ' A' 1120 ' ' GLN . 11.4 t -126.91 -175.07 3.31 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.608 -0.724 . . . . 1.57 110.233 -171.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -70.61 -69.59 1.36 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.572 -0.823 . . . . 1.68 112.438 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -71.17 -31.29 67.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.014 0.435 . . . . 2.85 111.665 -178.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1137 ' ' GLY . . . . . 0.408 ' HA2' ' OD1' ' A' 1132 ' ' ASN . . . 87.87 26.86 28.07 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 110.909 -0.876 . . . . 0.62 110.909 -173.243 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1138 ' ' SER . . . . . 0.458 ' HA ' ' HG2' ' A' 1141 ' ' LYS . 64.9 p -68.76 -16.82 63.91 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.23 -0.485 . . . . 0.44 111.489 -174.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -68.93 -22.82 64.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.466 0.65 . . . . 0.33 109.939 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -95.11 -39.2 10.25 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.594 -0.73 . . . . 0.44 110.156 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1141 ' ' LYS . . . . . 0.458 ' HG2' ' HA ' ' A' 1138 ' ' SER . 14.8 pttp -68.52 -30.21 68.96 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.805 0.336 . . . . 1.55 111.328 -174.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 63.0 t30 -74.99 -17.82 60.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.472 0.653 . . . . 2.05 109.615 177.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 50.1 t -96.36 59.19 1.84 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.885 -0.784 . . . . 1.67 108.885 173.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 2.8 p30 -81.99 63.12 6.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.297 -0.865 . . . . 4.59 111.218 -176.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 12.6 p -120.15 133.54 55.48 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.902 -0.59 . . . . 5.4 110.311 177.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 25.1 p -70.03 98.96 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.162 -0.472 . . . . 8.15 111.381 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -72.35 -21.97 61.23 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.86 -0.422 . . . . 9.87 109.86 178.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 16.5 m . . . . . 0 CA--C 1.528 0.115 0 CA-C-N 115.209 -0.905 . . . . 11.12 110.35 -177.358 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.475 0.787 0 CA-C-O 120.837 0.351 . . . . 12.26 110.52 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -102.5 -1.82 29.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 11.34 110.193 176.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1105 ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' 1106 ' ' PRO . . . -100.22 119.89 58.01 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.831 -0.622 . . . . 8.3 110.737 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1106 ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' 1105 ' ' ALA . 2.7 Cg_exo -75.37 149.01 34.63 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.502 2.135 . . . . 6.09 111.971 177.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -93.99 37.35 1.09 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.27 0.557 . . . . 4.73 110.173 177.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 5.5 p -74.76 149.55 39.71 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.339 -0.846 . . . . 2.97 111.339 -176.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 84.8 m -86.7 -169.34 2.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.386 -0.825 . . . . 0.72 111.297 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1110 ' ' LEU . . . . . 0.5 ' CB ' ' HB2' ' A' 1113 ' ' GLN . 5.0 tp -51.84 163.18 0.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 123.668 0.787 . . . . 0.52 111.894 -178.367 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -61.42 -39.98 92.74 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.974 0.416 . . . . 2.32 110.238 178.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1112 ' ' THR . . . . . 0.549 ' O ' ' HG3' ' A' 1124 ' ' LYS . 25.6 p -95.34 8.81 42.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.206 -0.452 . . . . 0.52 111.377 177.09 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1113 ' ' GLN . . . . . 0.5 ' HB2' ' CB ' ' A' 1110 ' ' LEU . 43.2 mt-30 -110.7 150.31 29.22 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-O 121.855 0.835 . . . . 1.02 112.066 178.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 78.7 t80 -98.74 148.1 24.21 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.075 -1.421 . . . . 0.41 109.502 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 4.6 m -109.19 100.22 9.4 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.564 -0.743 . . . . 0.31 109.47 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1116 ' ' CYS . . . . . 0.472 ' HB3' ' OG ' ' A' 1138 ' ' SER . 99.3 m -72.56 173.31 9.08 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.241 -0.436 . . . . 0.65 111.779 -177.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 19.0 t70 -58.34 -40.79 83.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.036 0.446 . . . . 2.62 110.893 -178.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -83.37 14.7 3.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.06 -0.518 . . . . 2.75 110.79 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 41.7 m80 63.67 23.01 13.36 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.546 -0.752 . . . . 1.05 111.8 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -76.41 134.67 39.54 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.469 -0.567 . . . . 1.91 109.469 175.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 96.1 m -100.98 103.87 15.02 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.117 -0.492 . . . . 0.42 110.801 -177.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 35.7 pt -116.16 166.17 10.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.787 -0.642 . . . . 0.19 109.912 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 40.3 t -69.99 140.02 52.88 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.97 -0.752 . . . . 0.33 108.97 174.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1124 ' ' LYS . . . . . 0.549 ' HG3' ' O ' ' A' 1112 ' ' THR . 85.0 mttt -63.71 -15.22 57.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.909 0.385 . . . . 1.24 110.608 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 6.8 t30 -73.05 -21.08 60.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.831 -0.622 . . . . 1.75 110.63 177.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 35.3 m0 -86.01 -17.25 35.78 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.022 0.439 . . . . 0.58 110.327 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 92.5 t -66.34 117.5 7.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.961 -0.563 . . . . 0.24 110.625 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 41.9 t 63.69 57.37 1.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.843 0.83 . . . . 0.58 110.184 -178.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -115.88 23.95 11.86 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.281 -0.872 . . . . 0.46 109.57 175.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 35.0 p 65.86 14.76 9.75 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.615 1.166 . . . . 0.73 112.43 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 34.7 t70 -135.01 133.72 39.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.39 -0.368 . . . . 1.21 110.446 174.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -75.37 108.64 8.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.201 -0.454 . . . . 2.58 110.36 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -94.37 -44.51 7.88 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 120.937 0.399 . . . . 1.28 110.713 -177.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1134 ' ' CYS . . . . . . . . . . . . . 86.2 m -84.13 62.55 7.16 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.02 -0.536 . . . . 1.57 111.161 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 63.57 -92.74 0.11 Allowed Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.919 -0.582 . . . . 1.68 112.448 178.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.59 -24.51 62.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.07 0.462 . . . . 2.85 110.578 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 92.74 46.56 3.39 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.624 -0.798 . . . . 0.62 112.709 176.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1138 ' ' SER . . . . . 0.672 ' O ' ' HG2' ' A' 1141 ' ' LYS . 15.1 p -62.41 -20.55 64.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.946 0.403 . . . . 0.44 110.843 178.195 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -72.62 -17.16 61.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.273 0.559 . . . . 0.33 110.8 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -95.05 -26.17 16.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.168 -0.469 . . . . 0.44 110.506 178.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1141 ' ' LYS . . . . . 0.672 ' HG2' ' O ' ' A' 1138 ' ' SER . 19.1 pttp -71.74 -23.44 61.61 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.176 -0.465 . . . . 1.55 111.644 -172.756 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -97.83 16.47 20.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.882 0.372 . . . . 2.05 111.346 -176.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 23.6 t -88.82 89.6 8.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.081 0.467 . . . . 1.67 110.191 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -84.58 -17.75 37.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.951 -0.568 . . . . 4.59 110.835 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 6.2 p -77.5 -82.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.891 -0.595 . . . . 5.4 110.75 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 26.0 p -91.46 72.78 6.04 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.918 -0.583 . . . . 8.15 111.27 -178.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -75.51 -16.71 60.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.114 -0.494 . . . . 9.87 110.323 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.45 -0.467 0 CA-C-N 115.809 -0.632 . . . . 11.12 110.14 174.424 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 19.2 m . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 120.49 0.186 . . . . 12.26 110.758 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -168.91 -38.28 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 121.322 -0.151 . . . . 11.34 111.117 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -55.45 122.16 42.57 Favored Pre-proline 0 C--O 1.235 0.292 0 CA-C-N 116.345 -0.389 . . . . 8.3 111.481 -179.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -79.05 152.21 24.33 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.775 2.317 . . . . 6.09 112.069 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -80.16 119.83 23.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.317 -0.401 . . . . 4.73 110.534 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 11.4 p -73.76 103.86 4.46 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.136 -0.484 . . . . 2.97 110.679 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 70.2 m -101.88 -166.97 1.35 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.065 -0.516 . . . . 0.72 111.019 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.9 tp -71.07 173.05 8.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.005 -0.543 . . . . 0.52 110.463 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -76.14 -37.11 58.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.89 0.376 . . . . 2.32 110.413 176.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 17.6 p -91.81 6.08 47.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.021 0.438 . . . . 0.52 111.046 175.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -100.61 158.02 16.25 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 121.475 0.655 . . . . 1.02 111.327 174.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 78.3 t80 -113.07 148.37 35.35 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.806 -1.088 . . . . 0.41 109.451 176.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 12.8 m -102.31 107.73 18.85 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.673 -0.694 . . . . 0.31 109.768 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 61.8 m -63.73 161.02 15.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.8 -0.636 . . . . 0.65 110.857 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 29.7 t70 -59.48 -30.82 68.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.26 0.553 . . . . 2.62 109.827 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 12.8 m120 -78.56 12.71 1.89 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.382 -0.826 . . . . 2.75 111.448 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 70.8 m80 61.7 49.41 4.95 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 122.784 0.434 . . . . 1.05 110.583 -179.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -122.81 147.41 46.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.124 -0.489 . . . . 1.91 110.332 -177.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 86.0 m -102.32 105.78 16.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.923 0.392 . . . . 0.42 111.128 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 45.7 pt -115.37 174.42 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.05 -0.523 . . . . 0.19 109.812 175.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 40.3 t -78.5 141.03 38.5 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.849 0.357 . . . . 0.33 110.225 176.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 64.1 mttm -64.95 -19.29 65.88 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.136 -0.484 . . . . 1.24 111.28 178.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -79.71 -8.0 58.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.963 0.411 . . . . 1.75 111.051 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 43.9 m0 -93.34 -17.61 23.36 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.737 -0.468 . . . . 0.58 109.737 177.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 92.7 t -64.21 121.16 12.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.845 -0.616 . . . . 0.24 111.036 -177.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1128 ' ' CYS . . . . . 0.406 ' HB2' ' HB2' ' A' 1143 ' ' CYS . 0.5 OUTLIER 63.32 43.45 6.15 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.393 -0.822 . . . . 0.58 111.255 175.552 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -102.54 21.72 14.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.731 -0.668 . . . . 0.46 109.642 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 76.7 p 59.22 28.9 18.35 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.566 1.146 . . . . 0.73 112.031 -177.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 37.9 t70 -142.44 130.12 21.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.873 -0.603 . . . . 1.21 110.129 175.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -76.87 103.44 6.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.719 0.295 . . . . 2.58 111.106 -177.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -88.65 -45.24 10.0 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.042 0.449 . . . . 1.28 110.084 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1134 ' ' CYS . . . . . . . . . . . . . 17.1 m -71.34 164.5 25.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.583 -0.735 . . . . 1.57 110.381 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -49.75 -51.15 29.58 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 121.412 -0.423 . . . . 1.68 113.103 -178.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -105.31 17.66 23.6 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.703 -0.293 . . . . 2.85 111.415 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 59.13 41.77 96.77 Favored Glycine 0 C--N 1.33 0.248 0 C-N-CA 121.013 -0.613 . . . . 0.62 112.446 -178.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1138 ' ' SER . . . . . 0.489 ' O ' ' HG2' ' A' 1141 ' ' LYS . 55.2 p -66.66 -25.5 66.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.96 0.41 . . . . 0.44 111.189 -177.254 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -70.84 -14.73 62.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.147 0.499 . . . . 0.33 110.519 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -102.76 -16.27 16.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.879 -0.601 . . . . 0.44 110.523 178.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1141 ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' 1138 ' ' SER . 17.9 pttp -85.83 -36.1 20.23 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.751 -0.38 . . . . 1.55 111.88 -172.137 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -123.23 45.64 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.509 0.671 . . . . 2.05 110.803 -178.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1143 ' ' CYS . . . . . 0.406 ' HB2' ' HB2' ' A' 1128 ' ' CYS . 20.9 p -106.31 138.84 41.78 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.554 -0.748 . . . . 1.67 110.078 -177.227 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -78.08 132.32 37.68 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.489 -0.778 . . . . 4.59 109.108 174.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 3.3 p -74.11 121.97 21.98 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.944 0.402 . . . . 5.4 109.938 176.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 1.5 p -80.2 64.4 5.01 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.396 0.617 . . . . 8.15 111.105 -178.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -75.23 -39.22 60.19 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 115.172 -0.922 . . . . 9.87 109.668 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 5.0 m . . . . . 0 C--N 1.322 -0.597 0 CA-C-O 121.743 0.782 . . . . 11.12 109.416 179.513 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 121.037 0.446 . . . . 12.26 111.015 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -77.59 -33.02 53.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.046 -0.525 . . . . 11.34 110.464 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -84.41 125.31 72.19 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.092 -0.504 . . . . 8.3 110.295 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.23 132.9 53.06 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.08 2.52 . . . . 6.09 112.316 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -131.62 132.55 44.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.106 -0.497 . . . . 4.73 110.589 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 7.8 p -73.57 129.56 38.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.001 -0.545 . . . . 2.97 110.163 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 56.4 m -67.38 175.38 2.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.112 0.482 . . . . 0.72 111.279 -178.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.9 tp -61.44 160.42 11.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.86 -0.609 . . . . 0.52 110.548 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.7 -38.81 86.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.133 0.492 . . . . 2.32 109.847 174.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 13.4 p -94.13 9.24 38.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.659 -0.7 . . . . 0.52 111.487 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -103.26 157.39 17.05 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.611 0.719 . . . . 1.02 111.642 174.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1114 ' ' TYR . . . . . 0.472 ' O ' ' HA ' ' A' 1121 ' ' CYS . 90.2 t80 -111.02 154.05 24.73 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.579 -1.191 . . . . 0.41 109.749 178.431 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 4.6 m -106.51 101.63 11.08 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.028 -0.533 . . . . 0.31 110.024 -178.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1116 ' ' CYS . . . . . 0.436 ' HB2' ' HB3' ' A' 1120 ' ' GLN . 55.9 m -67.31 171.85 5.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.65 111.346 -178.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 27.8 t70 -51.78 -45.99 63.99 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 122.631 0.373 . . . . 2.62 111.745 -177.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -92.6 33.37 1.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.783 0.325 . . . . 2.75 111.459 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 34.0 m170 63.18 28.72 15.99 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.007 -0.542 . . . . 1.05 111.941 174.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1120 ' ' GLN . . . . . 0.436 ' HB3' ' HB2' ' A' 1116 ' ' CYS . 6.9 tp-100 -87.81 125.22 34.33 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.907 -0.405 . . . . 1.91 109.907 177.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1121 ' ' CYS . . . . . 0.472 ' HA ' ' O ' ' A' 1114 ' ' TYR . 58.8 m -88.2 101.14 13.54 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.424 -0.353 . . . . 0.42 110.781 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1122 ' ' ILE . . . . . 0.45 HD13 ' SG ' ' A' 1134 ' ' CYS . 42.4 pt -103.0 172.26 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.737 -0.468 . . . . 0.19 109.737 174.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 30.1 t -74.42 143.48 44.72 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.849 -0.426 . . . . 0.33 109.849 175.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1124 ' ' LYS . . . . . 0.408 ' HA ' HG23 ' A' 1127 ' ' VAL . 63.7 mttm -67.13 -15.34 63.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.494 -0.321 . . . . 1.24 110.79 177.205 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 18.6 m120 -74.14 -14.04 60.91 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.097 0.475 . . . . 1.75 110.376 174.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1126 ' ' TRP . . . . . 0.486 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 47.3 m0 -97.24 -11.24 24.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.035 -0.53 . . . . 0.58 110.937 -177.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1127 ' ' VAL . . . . . 0.408 HG23 ' HA ' ' A' 1124 ' ' LYS . 60.9 t -73.54 118.49 18.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.37 -0.377 . . . . 0.24 111.267 -177.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1128 ' ' CYS . . . . . 0.452 ' HA ' ' OE1' ' A' 1140 ' ' GLU . 50.4 t 58.82 54.81 4.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.262 -0.881 . . . . 0.58 109.732 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -113.04 14.14 19.55 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.105 -0.952 . . . . 0.46 109.29 177.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 82.1 p 57.07 29.32 16.32 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 114.704 -1.135 . . . . 0.73 111.536 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 14.4 t70 -135.0 142.48 46.45 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.816 -0.629 . . . . 1.21 109.555 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -78.58 116.77 19.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.31 -0.404 . . . . 2.58 111.57 -174.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1133 ' ' ASP . . . . . 0.486 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.0 OUTLIER -133.66 -39.14 0.89 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.785 -0.643 . . . . 1.28 111.08 178.601 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1134 ' ' CYS . . . . . 0.656 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 88.2 m -77.09 34.76 0.16 Allowed 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.312 0.486 . . . . 1.57 112.312 177.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 73.41 -71.28 1.28 Allowed Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.841 -0.695 . . . . 1.68 112.438 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 13.8 t70 -93.08 -49.79 5.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.78 0.324 . . . . 2.85 110.192 177.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 133.94 40.9 0.17 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.712 -0.756 . . . . 0.62 112.828 175.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1138 ' ' SER . . . . . 0.444 ' O ' ' HG2' ' A' 1141 ' ' LYS . 80.0 p -66.3 -25.49 66.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.963 0.411 . . . . 0.44 111.027 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1139 ' ' ASP . . . . . 0.656 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 5.4 p-10 -68.33 -29.54 68.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.04 -0.527 . . . . 0.33 110.111 178.005 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1140 ' ' GLU . . . . . 0.452 ' OE1' ' HA ' ' A' 1128 ' ' CYS . 69.4 mm-40 -85.58 -36.3 20.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.733 -0.667 . . . . 0.44 110.442 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1141 ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' 1138 ' ' SER . 18.4 pttp -66.32 -32.88 74.56 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.216 -0.447 . . . . 1.55 111.742 -173.343 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 10.0 p30 -78.92 -5.75 54.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.109 0.481 . . . . 2.05 110.398 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 11.4 t -86.62 -2.54 58.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.958 -0.565 . . . . 1.67 110.112 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 4.4 p30 39.08 65.43 0.67 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.009 0.923 . . . . 4.59 113.068 174.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 91.6 p 60.2 133.97 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.715 1.206 . . . . 5.4 112.291 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1146 ' ' THR . . . . . 0.604 ' HB ' ' O ' ' A' 1148 ' ' THR . 33.3 p -68.3 98.24 0.8 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.5 -0.773 . . . . 8.15 111.314 -176.464 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -53.23 -42.6 66.57 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.25 -0.886 . . . . 9.87 109.785 171.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1148 ' ' THR . . . . . 0.604 ' O ' ' HB ' ' A' 1146 ' ' THR . 29.5 p . . . . . 0 C--N 1.321 -0.666 0 CA-C-N 114.959 -1.018 . . . . 11.12 109.213 177.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 38.0 m . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 120.308 0.099 . . . . 12.26 111.004 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 37.7 m80 54.36 56.28 7.1 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.992 0.425 . . . . 11.34 111.409 -179.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -79.2 137.77 56.45 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.024 -0.535 . . . . 8.3 110.139 178.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.75 125.41 14.24 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.62 2.213 . . . . 6.09 112.175 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -74.17 141.36 45.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.137 -0.483 . . . . 4.73 110.101 178.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 8.3 p -79.84 76.33 6.53 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.94 0.4 . . . . 2.97 111.164 -177.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 77.8 m 60.51 -164.89 0.22 Allowed 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.583 -0.735 . . . . 0.72 111.653 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 4.3 tp -61.2 162.56 7.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.62 -0.718 . . . . 0.52 110.457 177.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -65.65 -25.78 67.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.238 0.542 . . . . 2.32 110.182 176.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1112 ' ' THR . . . . . 0.467 ' O ' ' HG3' ' A' 1124 ' ' LYS . 10.8 p -105.26 10.29 33.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.769 -0.65 . . . . 0.52 111.274 176.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -115.12 152.68 32.12 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-O 121.945 0.879 . . . . 1.02 112.239 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1114 ' ' TYR . . . . . 0.479 ' O ' ' HA ' ' A' 1121 ' ' CYS . 62.0 t80 -104.45 149.85 25.07 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 113.937 -1.483 . . . . 0.41 109.707 178.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 8.7 m -101.44 103.19 14.09 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.763 -0.653 . . . . 0.31 109.643 178.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 61.3 m -68.28 163.25 23.33 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.67 -0.695 . . . . 0.65 110.662 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 18.1 t70 -56.85 -37.51 71.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.116 0.484 . . . . 2.62 111.044 -177.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -81.14 17.89 1.18 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.746 -0.661 . . . . 2.75 111.262 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 64.3 m80 63.87 27.05 14.43 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.092 0.557 . . . . 1.05 111.082 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -95.63 139.71 31.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.871 -0.604 . . . . 1.91 109.943 177.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1121 ' ' CYS . . . . . 0.479 ' HA ' ' O ' ' A' 1114 ' ' TYR . 68.7 m -101.11 120.02 39.6 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.96 0.409 . . . . 0.42 110.925 -179.343 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 47.7 pt -118.95 168.33 11.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.28 -0.637 . . . . 0.19 109.28 174.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 39.2 t -73.37 141.1 47.03 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.291 -0.633 . . . . 0.33 109.291 175.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1124 ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' 1112 ' ' THR . 51.6 mttm -65.23 -20.37 66.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.039 -0.528 . . . . 1.24 110.504 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 11.5 t30 -69.76 -20.43 63.49 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.224 0.535 . . . . 1.75 110.412 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1126 ' ' TRP . . . . . 0.504 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 34.9 m0 -87.59 -13.27 43.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.973 -0.558 . . . . 0.58 110.444 -178.335 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1127 ' ' VAL . . . . . 0.413 HG23 ' HA ' ' A' 1124 ' ' LYS . 99.3 t -67.42 123.67 21.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.763 -0.653 . . . . 0.24 111.125 -179.153 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1128 ' ' CYS . . . . . 0.498 ' HA ' ' OE1' ' A' 1140 ' ' GLU . 42.0 t 60.2 55.62 3.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.312 -0.858 . . . . 0.58 110.325 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -116.53 17.63 15.32 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.235 -0.893 . . . . 0.46 109.325 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 50.4 p 58.63 22.82 10.27 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 114.664 -1.153 . . . . 0.73 112.314 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 37.8 t70 -128.18 137.62 52.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.147 -0.479 . . . . 1.21 109.941 173.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 57.8 t30 -83.64 87.53 7.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.463 0.649 . . . . 2.58 110.99 -176.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1133 ' ' ASP . . . . . 0.504 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.0 OUTLIER -95.7 -27.77 15.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.24 -0.891 . . . . 1.28 110.269 179.128 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1134 ' ' CYS . . . . . 0.676 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 8.3 m -72.8 -14.34 61.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.05 -0.523 . . . . 1.57 111.608 175.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 78.41 -49.31 3.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.63 -0.795 . . . . 1.68 111.628 -176.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 24.6 t70 -82.13 -13.47 57.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.311 0.577 . . . . 2.85 110.385 176.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 76.26 16.55 80.62 Favored Glycine 0 C--N 1.33 0.2 0 CA-C-N 115.82 -0.627 . . . . 0.62 111.98 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1138 ' ' SER . . . . . 0.544 ' O ' ' HG2' ' A' 1141 ' ' LYS . 20.1 p -69.08 -16.93 63.8 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.367 0.506 . . . . 0.44 112.367 -173.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1139 ' ' ASP . . . . . 0.676 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 5.9 p-10 -81.45 -29.62 33.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.265 0.555 . . . . 0.33 109.91 178.185 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1140 ' ' GLU . . . . . 0.498 ' OE1' ' HA ' ' A' 1128 ' ' CYS . 63.6 mm-40 -86.31 -30.05 22.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.719 -0.673 . . . . 0.44 109.947 -178.29 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1141 ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' 1138 ' ' SER . 20.8 pttp -61.6 -38.5 87.79 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.824 -0.625 . . . . 1.55 111.682 -174.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 26.5 p30 -100.7 31.72 3.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.069 0.461 . . . . 2.05 111.417 -174.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 47.5 t -86.4 65.88 9.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.25 0.548 . . . . 1.67 109.623 176.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 24.3 p-10 -110.32 142.05 42.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.056 -0.52 . . . . 4.59 110.769 -179.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 33.7 p -164.23 -58.91 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.606 -0.725 . . . . 5.4 110.111 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 64.1 p -91.05 46.65 1.33 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.675 -0.693 . . . . 8.15 111.216 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -89.17 -23.72 22.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.713 -0.676 . . . . 9.87 110.844 -178.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.327 -0.402 0 CA-C-O 121.059 0.457 . . . . 11.12 110.937 179.414 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 121.087 0.47 . . . . 12.26 111.126 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 33.0 m80 -95.2 133.15 39.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.888 0.375 . . . . 11.34 110.617 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1105 ' ' ALA . . . . . 0.417 ' HA ' ' HD3' ' A' 1106 ' ' PRO . . . -97.46 143.92 27.03 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.826 -0.625 . . . . 8.3 109.862 178.025 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1106 ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' 1105 ' ' ALA . 38.6 Cg_exo -59.86 129.9 32.58 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.675 2.25 . . . . 6.09 112.181 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -99.75 -162.34 0.94 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.862 -0.608 . . . . 4.73 110.602 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 8.7 p -54.32 153.69 5.17 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.085 0.469 . . . . 2.97 111.619 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 57.2 m -72.16 -173.18 1.01 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.84 -0.618 . . . . 0.72 111.866 -176.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 5.6 tp -50.05 158.9 0.48 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.645 0.778 . . . . 0.52 111.696 -179.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 15.0 t70 -69.31 -22.29 63.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.075 0.464 . . . . 2.32 110.444 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 12.7 p -101.71 3.22 39.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.027 -0.533 . . . . 0.52 110.807 173.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -106.36 163.21 13.02 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.478 0.656 . . . . 1.02 111.11 176.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 70.1 t80 -116.96 149.22 40.57 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.061 -0.972 . . . . 0.41 109.593 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 11.6 m -105.42 103.23 12.72 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.937 -0.574 . . . . 0.31 110.074 -177.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1116 ' ' CYS . . . . . 0.5 ' HB2' ' HB3' ' A' 1120 ' ' GLN . 38.0 m -72.31 174.88 6.69 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.582 -0.735 . . . . 0.65 111.485 -176.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -56.83 -45.85 82.07 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.077 0.399 . . . . 2.62 112.077 -174.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -88.18 25.39 1.62 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.131 0.491 . . . . 2.75 110.224 -177.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 34.2 m80 61.35 39.96 14.75 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.763 -0.653 . . . . 1.05 111.07 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1120 ' ' GLN . . . . . 0.5 ' HB3' ' HB2' ' A' 1116 ' ' CYS . 60.2 tt0 -92.4 137.84 32.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.827 -0.624 . . . . 1.91 109.466 175.409 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 71.4 m -101.36 103.48 14.43 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.914 0.388 . . . . 0.42 111.212 -177.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 45.1 pt -105.54 173.03 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.221 -0.659 . . . . 0.19 109.221 173.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 29.0 t -75.66 145.04 41.32 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.704 -0.48 . . . . 0.33 109.704 174.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 87.3 mttt -64.01 -18.27 64.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.758 0.313 . . . . 1.24 110.549 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -78.14 -12.81 60.02 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.261 -0.427 . . . . 1.75 110.46 177.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1126 ' ' TRP . . . . . 0.425 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 47.1 m0 -93.55 -9.96 36.45 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 116.204 -0.453 . . . . 0.58 110.479 178.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 59.9 t -74.21 126.29 34.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 116.48 -0.327 . . . . 0.24 110.951 -178.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 11.2 t 58.86 55.36 4.61 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 122.371 1.081 . . . . 0.58 109.683 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -122.62 15.21 10.26 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.743 -1.117 . . . . 0.46 109.866 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 69.9 p 58.89 30.5 20.23 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.218 1.007 . . . . 0.73 111.869 -178.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 35.6 t70 -129.08 135.65 49.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.845 -0.616 . . . . 1.21 109.606 174.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 7.8 t30 -84.71 82.42 8.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.299 0.571 . . . . 2.58 110.746 -175.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1133 ' ' ASP . . . . . 0.425 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.0 OUTLIER -98.04 -30.91 12.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.725 -0.67 . . . . 1.28 111.058 -178.448 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1134 ' ' CYS . . . . . 0.752 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 10.4 m -77.83 13.02 1.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.596 0.591 . . . . 1.57 112.596 178.622 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 77.2 -66.38 2.9 Favored Glycine 0 CA--C 1.517 0.174 0 C-N-CA 120.913 -0.661 . . . . 1.68 112.626 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 16.1 t70 -85.2 -21.8 28.99 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.286 0.565 . . . . 2.85 110.465 176.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 94.5 28.01 11.0 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.681 -0.771 . . . . 0.62 111.605 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1138 ' ' SER . . . . . . . . . . . . . 1.6 p -71.35 -0.75 10.86 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.836 0.31 . . . . 0.44 111.836 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1139 ' ' ASP . . . . . 0.752 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 4.3 p-10 -98.18 -21.09 16.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.445 0.641 . . . . 0.33 109.677 174.575 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -97.87 -23.35 15.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.55 -0.75 . . . . 0.44 110.241 -178.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1141 ' ' LYS . . . . . . . . . . . . . 53.7 pttt -62.96 -22.47 66.83 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.494 0.664 . . . . 1.55 110.687 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -116.88 35.88 4.43 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.174 -0.921 . . . . 2.05 109.789 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 42.3 t -82.84 -28.12 30.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.307 -0.86 . . . . 1.67 110.655 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -99.79 -5.76 28.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.045 0.45 . . . . 4.59 110.655 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 2.6 p -114.52 153.45 30.0 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.026 -0.534 . . . . 5.4 110.548 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 18.1 p -78.41 111.66 14.64 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.203 -0.453 . . . . 8.15 110.957 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1147 ' ' GLU . . . . . 0.421 ' H ' ' CD ' ' A' 1147 ' ' GLU . 0.0 OUTLIER -82.65 -24.96 33.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.908 -0.587 . . . . 9.87 109.605 178.367 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 12.2 p . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.052 -0.976 . . . . 11.12 111.53 -179.23 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 121.039 0.447 . . . . 12.26 110.619 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 55.4 t-80 65.91 104.8 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.735 -0.666 . . . . 11.34 110.861 -177.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -64.11 121.51 72.13 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.939 -0.573 . . . . 8.3 109.713 175.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -55.36 135.63 69.96 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.476 2.117 . . . . 6.09 111.41 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -76.81 64.9 2.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.33 0.586 . . . . 4.73 110.657 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 4.6 p -80.92 172.83 13.25 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.588 -0.733 . . . . 2.97 110.867 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 60.9 m -77.73 -167.47 0.98 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.986 -0.552 . . . . 0.72 111.644 -177.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 7.2 tp -51.7 157.88 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.442 -0.799 . . . . 0.52 111.304 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -65.9 -26.54 67.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.926 0.393 . . . . 2.32 110.691 178.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 12.5 p -98.97 -1.32 40.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.289 0.566 . . . . 0.52 110.657 175.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -100.49 162.11 13.15 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.493 0.663 . . . . 1.02 111.069 177.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 86.2 t80 -108.78 149.72 28.64 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 114.901 -1.045 . . . . 0.41 108.998 175.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 6.3 m -109.42 102.53 11.41 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.884 -0.598 . . . . 0.31 109.53 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 35.7 m -67.53 168.78 10.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.848 -0.615 . . . . 0.65 110.968 -177.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.22 -37.45 83.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.18 0.515 . . . . 2.62 110.396 -179.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -85.2 14.67 4.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.814 -0.63 . . . . 2.75 110.609 178.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 43.2 m80 66.73 26.73 9.48 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.677 -0.692 . . . . 1.05 111.99 175.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -78.85 141.53 37.62 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.472 -0.566 . . . . 1.91 109.472 173.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 73.1 m -105.94 102.17 11.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.945 0.403 . . . . 0.42 111.199 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 50.6 pt -112.31 178.72 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.129 -0.487 . . . . 0.19 109.906 176.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 28.0 t -75.47 146.32 40.74 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.096 -0.335 . . . . 0.33 110.096 175.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 65.0 mttm -66.64 -23.87 66.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.441 -0.345 . . . . 1.24 110.621 175.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 13.6 m120 -71.86 -18.22 62.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 1.75 110.681 178.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 45.1 m0 -87.57 -12.33 46.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.078 -0.51 . . . . 0.58 110.831 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 59.6 t -68.7 117.47 11.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.399 -0.364 . . . . 0.24 110.9 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1128 ' ' CYS . . . . . 0.454 ' HA ' ' OE1' ' A' 1140 ' ' GLU . 49.6 t 61.3 50.19 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.5 -0.773 . . . . 0.58 110.515 178.417 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -108.34 24.22 13.35 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.617 -0.72 . . . . 0.46 109.224 177.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 39.9 p 54.92 34.86 23.14 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.606 -1.179 . . . . 0.73 112.064 -179.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 13.5 t70 -146.19 129.83 17.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.855 -0.611 . . . . 1.21 109.717 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 26.9 t30 -71.25 117.45 12.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.708 0.29 . . . . 2.58 111.576 -175.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -119.15 -26.18 5.99 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.898 0.333 . . . . 1.28 111.898 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1134 ' ' CYS . . . . . 0.644 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 84.0 m -87.25 16.86 4.78 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.16 0.429 . . . . 1.57 112.16 -177.164 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 80.84 -64.37 4.12 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.56 -0.828 . . . . 1.68 111.834 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -79.18 -38.45 35.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.215 0.531 . . . . 2.85 110.232 174.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 112.07 27.87 3.82 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.638 -0.71 . . . . 0.62 112.792 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1138 ' ' SER . . . . . 0.429 ' HA ' ' HG2' ' A' 1141 ' ' LYS . 76.8 p -65.24 -22.29 66.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.739 0.304 . . . . 0.44 111.561 -177.546 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1139 ' ' ASP . . . . . 0.644 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 8.2 p-10 -75.1 -24.92 58.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.127 0.489 . . . . 0.33 110.354 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1140 ' ' GLU . . . . . 0.454 ' OE1' ' HA ' ' A' 1128 ' ' CYS . 80.7 mm-40 -90.53 -26.36 19.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.954 -0.566 . . . . 0.44 110.209 177.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1141 ' ' LYS . . . . . 0.429 ' HG2' ' HA ' ' A' 1138 ' ' SER . 15.4 pttp -78.47 -38.44 41.03 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.423 -0.353 . . . . 1.55 110.369 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 63.4 t30 -86.93 56.75 4.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.727 0.775 . . . . 2.05 109.654 -179.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 48.9 t -118.03 -31.08 5.16 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.249 -0.887 . . . . 1.67 110.082 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -88.72 72.56 8.63 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.74 0.781 . . . . 4.59 110.798 -178.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 11.9 p -89.92 -69.27 0.73 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.624 -0.717 . . . . 5.4 110.461 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 44.0 p -91.45 31.88 1.12 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.729 -0.669 . . . . 8.15 110.956 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -59.46 -27.26 65.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.573 -0.74 . . . . 9.87 110.921 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 25.9 p . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 115.819 -0.628 . . . . 11.12 111.27 -179.177 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 13.0 m . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 121.324 0.583 . . . . 12.26 110.6 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 30.6 m80 -138.06 91.63 2.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.98 -0.554 . . . . 11.34 109.916 178.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -89.45 130.49 43.45 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.975 -0.557 . . . . 8.3 111.022 -177.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.98 149.54 89.31 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.67 2.247 . . . . 6.09 111.133 173.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -78.5 51.42 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.354 0.597 . . . . 4.73 111.22 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 10.6 p -86.05 168.03 14.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.525 -0.762 . . . . 2.97 110.267 178.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 57.8 m -77.78 -178.21 5.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.904 0.383 . . . . 0.72 110.785 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.8 tp -67.33 167.06 13.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.928 -0.578 . . . . 0.52 110.575 -179.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -69.22 -38.85 78.75 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.668 -0.493 . . . . 2.32 109.668 176.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 10.4 p -86.02 -4.49 59.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.877 -0.602 . . . . 0.52 111.359 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -92.62 158.02 16.18 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.549 0.69 . . . . 1.02 111.325 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 74.0 t80 -110.07 148.66 31.3 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.817 -1.083 . . . . 0.41 109.616 178.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 7.2 m -104.18 113.34 26.82 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.65 -0.705 . . . . 0.31 110.195 -178.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1116 ' ' CYS . . . . . 0.549 ' SG ' ' HB3' ' A' 1120 ' ' GLN . 88.2 m -59.84 152.12 23.98 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.875 -0.602 . . . . 0.65 110.541 174.615 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 36.4 t70 -66.82 -15.13 63.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.392 0.615 . . . . 2.62 110.197 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -100.42 16.55 24.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.559 -0.746 . . . . 2.75 110.189 176.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 41.7 m170 61.13 77.53 0.32 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.221 -0.9 . . . . 1.05 111.35 -178.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1120 ' ' GLN . . . . . 0.549 ' HB3' ' SG ' ' A' 1116 ' ' CYS . 52.5 tt0 -145.18 144.2 30.73 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.109 -0.7 . . . . 1.91 109.109 176.289 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 66.8 m -100.72 109.12 21.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.046 0.45 . . . . 0.42 111.598 -175.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 40.5 pt -119.74 -179.13 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.081 -0.711 . . . . 0.19 109.081 172.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 36.5 t -84.94 144.02 28.61 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.881 -0.328 . . . . 0.33 110.346 177.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 66.5 mttm -65.24 -19.79 66.13 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.069 0.462 . . . . 1.24 110.594 176.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -79.35 -7.03 58.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.956 -0.565 . . . . 1.75 110.558 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 52.9 m0 -101.0 -7.62 23.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.926 -0.579 . . . . 0.58 110.561 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 92.2 t -67.39 117.56 9.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.965 -0.561 . . . . 0.24 111.317 -178.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 37.6 t 66.33 44.07 2.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.575 -0.739 . . . . 0.58 111.013 176.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -106.78 21.52 17.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.63 -0.714 . . . . 0.46 109.65 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 68.6 p 58.44 33.65 23.3 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.3 1.04 . . . . 0.73 111.875 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 12.3 t70 -141.62 138.43 32.56 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.128 -0.487 . . . . 1.21 110.473 175.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -86.95 73.14 9.98 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.871 0.367 . . . . 2.58 110.827 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -62.39 -21.49 65.4 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.406 0.622 . . . . 1.28 110.838 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1134 ' ' CYS . . . . . . . . . . . . . 14.1 t -100.31 6.28 44.58 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.346 -0.843 . . . . 1.57 110.963 -173.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 74.14 -73.25 1.32 Allowed Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 110.102 -1.199 . . . . 1.68 110.102 -170.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 22.6 t0 -90.95 88.59 7.09 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.854 -1.165 . . . . 2.85 107.854 167.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -68.29 80.09 0.21 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.378 -0.828 . . . . 0.62 114.245 -171.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1138 ' ' SER . . . . . . . . . . . . . 57.0 p -68.05 -18.58 64.72 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.271 -0.64 . . . . 0.44 109.271 171.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -72.59 -21.37 61.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.308 -0.86 . . . . 0.33 110.294 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -92.17 -35.27 13.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.009 -0.541 . . . . 0.44 109.918 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1141 ' ' LYS . . . . . . . . . . . . . 13.7 pttp -72.17 -29.55 64.13 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.974 -0.557 . . . . 1.55 110.502 -178.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -85.47 43.22 1.01 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.673 0.749 . . . . 2.05 109.306 178.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 49.9 t -141.01 10.13 2.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.333 -0.849 . . . . 1.67 110.371 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -135.11 176.98 8.17 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.453 -0.573 . . . . 4.59 109.453 177.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 66.7 p 52.04 -160.5 0.1 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.427 0.691 . . . . 5.4 111.62 -176.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 19.0 p -80.14 64.79 5.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.831 0.348 . . . . 8.15 111.775 -177.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.11 -38.49 85.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.132 0.491 . . . . 9.87 110.557 178.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.323 -0.555 0 N-CA-C 108.768 -0.827 . . . . 11.12 108.768 -176.933 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.473 0.71 0 CA-C-O 120.958 0.409 . . . . 12.26 110.704 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 70.1 m80 -81.73 -28.45 33.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.136 0.493 . . . . 11.34 110.06 178.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -85.34 141.56 37.06 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.496 -0.774 . . . . 8.3 110.933 -178.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -68.66 120.43 7.35 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.449 2.099 . . . . 6.09 110.756 172.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -137.37 -167.65 2.15 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.413 -0.358 . . . . 4.73 111.169 -174.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 5.8 p -67.81 161.91 25.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.062 -0.517 . . . . 2.97 111.066 177.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 86.4 m -78.8 -173.83 3.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.35 -0.386 . . . . 0.72 110.591 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1110 ' ' LEU . . . . . 0.412 ' HB3' ' HG3' ' A' 1113 ' ' GLN . 11.6 tp -63.74 168.9 4.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.832 0.349 . . . . 0.52 111.583 -177.085 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -61.58 -43.98 97.86 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.123 -0.49 . . . . 2.32 110.023 175.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 23.7 p -100.41 14.84 29.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.52 111.794 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1113 ' ' GLN . . . . . 0.412 ' HG3' ' HB3' ' A' 1110 ' ' LEU . 73.0 mt-30 -100.04 161.37 13.65 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.598 0.713 . . . . 1.02 111.704 174.053 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 80.0 t80 -110.99 150.06 29.81 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.588 -1.187 . . . . 0.41 109.099 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 17.0 m -104.13 112.15 25.04 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.165 -0.47 . . . . 0.31 109.853 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1116 ' ' CYS . . . . . 0.458 ' HB2' ' HB3' ' A' 1120 ' ' GLN . 80.7 m -73.35 -179.63 3.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.022 -0.536 . . . . 0.65 112.107 -177.42 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -60.31 -38.98 85.38 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.969 -0.559 . . . . 2.62 111.801 -175.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -103.44 33.1 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.665 0.246 . . . . 2.75 111.665 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 50.1 m80 63.93 28.31 14.48 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.182 -0.463 . . . . 1.05 111.981 177.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1120 ' ' GLN . . . . . 0.458 ' HB3' ' HB2' ' A' 1116 ' ' CYS . 6.5 tp-100 -82.32 137.1 34.89 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.126 -0.694 . . . . 1.91 109.126 174.069 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 73.0 m -99.09 108.88 21.63 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.162 0.506 . . . . 0.42 111.258 -177.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 41.1 pt -113.58 170.23 4.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.097 -0.705 . . . . 0.19 109.097 174.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 32.0 t -79.15 144.63 34.3 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 110.146 -0.316 . . . . 0.33 110.146 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 60.6 mttm -64.15 -16.61 62.23 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.205 -0.452 . . . . 1.24 110.742 176.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -73.68 -19.71 60.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.099 0.476 . . . . 1.75 110.173 177.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 44.5 m0 -88.19 -13.07 42.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.945 -0.57 . . . . 0.58 110.417 -178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 98.9 t -67.26 120.17 14.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.845 -0.616 . . . . 0.24 110.401 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1128 ' ' CYS . . . . . 0.458 ' HA ' ' OE1' ' A' 1140 ' ' GLU . 53.7 t 62.49 57.07 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.792 0.806 . . . . 0.58 110.44 -178.58 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -118.99 17.56 13.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.274 -0.875 . . . . 0.46 109.392 175.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 70.0 p 58.0 41.59 24.04 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 114.937 -1.029 . . . . 0.73 111.66 -178.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 12.9 t70 -146.46 140.32 26.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.594 -0.73 . . . . 1.21 109.714 173.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -84.1 81.27 8.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.083 0.468 . . . . 2.58 111.09 -176.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -76.99 -35.29 57.28 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.065 -0.717 . . . . 1.28 109.065 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1134 ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 81.6 m -92.82 162.85 13.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.081 -0.963 . . . . 1.57 109.797 174.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -62.28 119.21 16.91 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.796 -0.716 . . . . 1.68 111.58 177.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 36.6 t70 70.41 0.06 3.07 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.362 0.665 . . . . 2.85 111.013 -177.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 79.21 50.67 5.68 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 121.016 -0.611 . . . . 0.62 112.79 176.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1138 ' ' SER . . . . . 0.488 ' O ' ' HG2' ' A' 1141 ' ' LYS . 71.3 p -64.99 -20.93 66.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.003 0.43 . . . . 0.44 110.359 177.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1139 ' ' ASP . . . . . 0.433 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 7.0 p-10 -78.24 -19.79 53.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.33 110.639 177.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1140 ' ' GLU . . . . . 0.458 ' OE1' ' HA ' ' A' 1128 ' ' CYS . 74.3 mm-40 -94.73 -31.88 13.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.944 0.402 . . . . 0.44 110.439 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1141 ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' 1138 ' ' SER . 19.7 pttp -60.45 -28.44 68.3 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.972 -0.558 . . . . 1.55 112.117 -172.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 10.2 p30 -82.46 -3.71 56.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.142 0.496 . . . . 2.05 110.775 -178.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1143 ' ' CYS . . . . . 0.413 ' HB2' ' HB2' ' A' 1128 ' ' CYS . 23.4 t -109.76 72.29 0.79 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.975 -0.557 . . . . 1.67 110.211 -177.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 9.4 p30 -70.72 148.79 47.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.75 -0.659 . . . . 4.59 110.536 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 65.1 p -114.9 171.39 7.68 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.971 -0.559 . . . . 5.4 109.789 177.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 6.6 p -78.35 59.41 2.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.17 0.509 . . . . 8.15 111.373 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -83.59 -18.76 37.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.931 -0.577 . . . . 9.87 110.651 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 27.0 m . . . . . 0 N--CA 1.451 -0.415 0 CA-C-O 121.541 0.686 . . . . 11.12 110.653 -179.135 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 73.9 m . . . . . 0 C--O 1.235 0.331 0 CA-C-O 120.801 0.334 . . . . 0.71999999999999997 111.174 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1110 ' ' LEU . . . . . 0.412 ' H ' ' HB2' ' A' 1113 ' ' GLN . 9.9 tp -72.87 168.25 19.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.278 -0.419 . . . . 0.52000000000000002 110.652 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.91 -41.67 95.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.431 0.634 . . . . 2.3199999999999998 109.97 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 6.3 p -90.16 -0.18 57.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.521 -0.763 . . . . 0.52000000000000002 111.585 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1113 ' ' GLN . . . . . 0.449 ' O ' ' HE3' ' A' 1124 ' ' LYS . 76.7 mt-30 -97.59 153.01 18.46 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 121.722 0.773 . . . . 1.02 111.742 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 79.4 t80 -103.07 148.66 25.45 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.381 -1.281 . . . . 0.40999999999999998 108.885 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 5.1 m -106.94 103.01 12.33 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 116.007 -0.542 . . . . 0.31 109.589 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1116 ' ' CYS . . . . . 0.43 ' HB3' ' OG ' ' A' 1138 ' ' SER . 32.3 m -65.79 169.92 5.92 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.622 -0.717 . . . . 0.65000000000000002 111.102 -178.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 28.9 t70 -65.39 -30.84 71.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.324 0.583 . . . . 2.6200000000000001 109.673 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -81.28 8.88 8.0 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.27 -0.877 . . . . 2.75 110.497 177.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 51.4 m80 68.39 20.05 8.71 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.763 -0.653 . . . . 1.05 111.707 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -78.82 146.28 33.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.177 -0.465 . . . . 1.9099999999999999 110.139 177.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 85.3 m -107.86 99.93 9.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.932 0.396 . . . . 0.41999999999999998 110.533 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 46.8 pt -113.13 174.63 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.271 -0.422 . . . . 0.19 110.297 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 23.4 t -71.59 141.55 50.01 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.937 0.399 . . . . 0.33000000000000002 110.377 174.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1124 ' ' LYS . . . . . 0.449 ' HE3' ' O ' ' A' 1113 ' ' GLN . 97.9 mttt -67.51 -13.69 62.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 1.24 110.936 176.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 17.4 m120 -83.01 -9.95 59.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.96 0.41 . . . . 1.75 110.63 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 48.7 m0 -93.56 -14.32 26.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.144 -0.48 . . . . 0.57999999999999996 110.468 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 69.6 t -65.76 119.17 10.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.969 -0.559 . . . . 0.23999999999999999 111.052 -177.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 49.2 t 62.19 51.63 3.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.606 -0.725 . . . . 0.57999999999999996 110.577 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -110.99 25.51 11.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.665 -0.698 . . . . 0.46000000000000002 109.703 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 64.8 p 60.7 24.55 14.37 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.64 1.176 . . . . 0.72999999999999998 112.515 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 26.7 t70 -147.6 119.12 7.93 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.763 -0.458 . . . . 1.21 109.763 173.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -64.99 120.59 12.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.103 0.477 . . . . 2.5800000000000001 111.066 -177.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -102.2 -30.03 11.36 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.147 0.499 . . . . 1.28 110.515 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1134 ' ' CYS . . . . . 0.546 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 21.0 m -81.77 0.78 37.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.78 -0.645 . . . . 1.5700000000000001 111.045 -178.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 82.48 -58.13 4.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.957 -0.64 . . . . 1.6799999999999999 111.664 -176.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -73.5 -16.34 61.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.354 0.597 . . . . 2.8500000000000001 110.094 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 80.89 23.11 60.18 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.44 -0.8 . . . . 0.62 112.465 176.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1138 ' ' SER . . . . . 0.477 ' O ' ' HG2' ' A' 1141 ' ' LYS . 4.9 p -66.31 -26.01 67.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.72 0.295 . . . . 0.44 111.402 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1139 ' ' ASP . . . . . 0.546 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 6.0 p-10 -72.46 -22.28 61.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.187 0.518 . . . . 0.33000000000000002 110.175 176.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -92.02 -30.56 15.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.136 -0.483 . . . . 0.44 110.373 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1141 ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' 1138 ' ' SER . 17.3 pttp -71.42 -30.18 65.76 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.991 0.424 . . . . 1.55 110.544 -178.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 39.9 t30 . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 121.392 0.615 . . . . 2.0499999999999998 109.441 178.073 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 63.7 m . . . . . 0 C--O 1.236 0.374 0 CA-C-O 120.902 0.382 . . . . 0.71999999999999997 110.973 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.0 tp -69.76 164.24 23.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.346 -0.388 . . . . 0.52000000000000002 110.64 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 17.3 t70 -61.42 -41.96 97.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.011 0.434 . . . . 2.3199999999999998 110.388 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 22.9 p -94.84 8.18 43.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.127 -0.488 . . . . 0.52000000000000002 111.64 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -100.97 156.07 17.6 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.508 0.67 . . . . 1.02 111.704 175.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 74.1 t80 -101.21 149.13 24.31 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.754 -1.112 . . . . 0.40999999999999998 109.643 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 5.7 m -108.31 103.77 13.01 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.596 -0.729 . . . . 0.31 109.497 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 33.8 m -64.32 170.03 4.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.104 -0.498 . . . . 0.65000000000000002 112.22 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 30.2 t70 -57.76 -44.35 86.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.226 0.536 . . . . 2.6200000000000001 109.994 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 57.7 t30 -83.82 19.26 1.74 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.611 0.72 . . . . 2.75 110.464 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 52.8 m80 62.61 24.05 14.31 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.464 -0.789 . . . . 1.05 112.609 174.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -78.91 122.19 25.81 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.721 -0.474 . . . . 1.9099999999999999 109.721 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 74.4 m -84.08 123.55 30.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.251 -0.432 . . . . 0.41999999999999998 110.744 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 44.6 pt -135.83 174.03 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.916 -0.583 . . . . 0.19 109.448 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 28.7 t -70.2 138.6 51.9 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 110.025 -0.361 . . . . 0.33000000000000002 110.025 175.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.61 -23.13 67.25 Favored 'General case' 0 N--CA 1.461 0.1 0 CA-C-O 121.075 0.464 . . . . 1.24 110.341 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -78.64 -8.69 58.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.879 -0.6 . . . . 1.75 110.097 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1126 ' ' TRP . . . . . 0.412 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 44.5 m0 -99.15 -2.73 36.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.801 -0.636 . . . . 0.57999999999999996 110.764 179.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 86.2 t -73.13 123.44 28.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 116.293 -0.412 . . . . 0.23999999999999999 110.934 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 4.6 t 62.72 49.26 3.85 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.493 -0.776 . . . . 0.57999999999999996 110.379 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -117.32 16.41 14.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.83 -0.623 . . . . 0.46000000000000002 110.581 -176.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 53.6 p 60.62 29.31 18.92 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.425 1.09 . . . . 0.72999999999999998 112.184 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 16.1 t70 -130.5 138.32 50.19 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 109.83 -0.433 . . . . 1.21 109.83 171.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -84.48 48.54 1.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.213 0.449 . . . . 2.5800000000000001 112.213 -178.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1133 ' ' ASP . . . . . 0.412 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.1 OUTLIER -51.46 -43.32 62.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.413 0.625 . . . . 1.28 110.128 169.027 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1134 ' ' CYS . . . . . . . . . . . . . 53.8 t -64.53 -14.95 59.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.773 -1.103 . . . . 1.5700000000000001 111.911 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 78.36 -65.34 3.38 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.957 -0.639 . . . . 1.6799999999999999 112.063 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -77.62 -16.29 58.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.359 0.599 . . . . 2.8500000000000001 110.171 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 76.3 27.34 61.94 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.294 -0.866 . . . . 0.62 113.575 174.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1138 ' ' SER . . . . . . . . . . . . . 51.0 p -74.57 -19.83 60.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.236 0.518 . . . . 0.44 110.874 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -72.13 -28.7 63.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.377 0.608 . . . . 0.33000000000000002 109.535 177.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -86.41 -17.83 33.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.392 -0.822 . . . . 0.44 110.626 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1141 ' ' LYS . . . . . . . . . . . . . 15.9 pttp -93.73 -30.3 14.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.039 0.447 . . . . 1.55 110.808 -176.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 5.7 t30 . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 116.029 -0.532 . . . . 2.0499999999999998 110.106 -178.47 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 45.9 m . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 121.117 0.484 . . . . 0.71999999999999997 111.37 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 5.6 tp -67.04 166.16 14.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.514 -0.766 . . . . 0.52000000000000002 110.329 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.64 -37.56 85.09 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.054 0.454 . . . . 2.3199999999999998 110.246 177.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 31.6 p -91.58 3.7 54.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.52000000000000002 111.264 177.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1113 ' ' GLN . . . . . 0.412 ' O ' ' HE3' ' A' 1124 ' ' LYS . 71.7 mt-30 -98.44 152.47 19.48 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-O 121.733 0.778 . . . . 1.02 111.83 177.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 77.5 t80 -101.52 149.42 24.1 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.317 -1.311 . . . . 0.40999999999999998 108.967 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 20.7 m -112.34 104.73 12.9 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 116.33 -0.395 . . . . 0.31 110.186 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 99.2 m -60.91 161.52 8.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.868 -0.606 . . . . 0.65000000000000002 111.115 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 26.1 t70 -55.56 -47.97 75.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.701 0.286 . . . . 2.6200000000000001 110.741 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -79.16 25.56 0.29 Allowed 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 111.974 0.361 . . . . 2.75 111.974 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 29.0 m80 58.66 63.56 1.65 Allowed 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.465 0.543 . . . . 1.05 112.465 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1120 ' ' GLN . . . . . 0.46 ' NE2' ' HA ' ' A' 1134 ' ' CYS . 45.0 tt0 -119.7 140.26 50.96 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.243 -0.651 . . . . 1.9099999999999999 109.243 174.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 66.9 m -106.34 111.06 23.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.172 0.51 . . . . 0.41999999999999998 111.376 -176.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1122 ' ' ILE . . . . . 0.464 HD13 ' HB2' ' A' 1134 ' ' CYS . 48.1 pt -123.72 179.54 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.618 -0.719 . . . . 0.19 109.242 175.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1123 ' ' SER . . . . . 0.43 ' HB3' ' CG ' ' A' 1126 ' ' TRP . 27.4 t -74.93 142.84 43.94 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.711 -0.396 . . . . 0.33000000000000002 110.014 175.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1124 ' ' LYS . . . . . 0.412 ' HE3' ' O ' ' A' 1113 ' ' GLN . 93.4 mttt -66.65 -18.41 65.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.914 0.388 . . . . 1.24 111.109 178.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 64.5 t30 -78.69 -14.4 59.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.338 0.589 . . . . 1.75 110.113 176.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1126 ' ' TRP . . . . . 0.603 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 44.9 m0 -89.99 -3.29 58.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.997 -0.547 . . . . 0.57999999999999996 111.096 -175.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 62.1 t -71.7 120.28 19.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.813 -0.63 . . . . 0.23999999999999999 110.748 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 42.5 t 59.93 50.31 6.93 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.508 0.671 . . . . 0.57999999999999996 110.166 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -113.77 11.49 18.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.871 -0.604 . . . . 0.46000000000000002 110.43 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 76.7 p 60.16 23.22 12.52 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.023 0.929 . . . . 0.72999999999999998 112.203 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -120.99 140.88 51.29 Favored 'General case' 0 C--O 1.244 0.795 0 N-CA-C 110.115 -0.328 . . . . 1.21 110.115 175.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -83.23 62.64 6.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.559 0.695 . . . . 2.5800000000000001 110.842 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1133 ' ' ASP . . . . . 0.603 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.1 OUTLIER -71.07 -58.6 3.4 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.405 -0.816 . . . . 1.28 108.971 170.629 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1134 ' ' CYS . . . . . 0.464 ' HB2' HD13 ' A' 1122 ' ' ILE . 44.8 t -80.81 120.3 24.49 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.242 -0.89 . . . . 1.5700000000000001 110.222 176.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -74.67 -21.33 78.82 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 111.375 -0.69 . . . . 1.6799999999999999 111.375 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1136 ' ' ASP . . . . . 0.443 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 14.4 t70 -75.3 -26.69 58.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.307 0.575 . . . . 2.8500000000000001 110.019 175.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 73.07 14.13 79.03 Favored Glycine 0 C--N 1.33 0.246 0 CA-C-N 115.435 -0.802 . . . . 0.62 113.634 172.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1138 ' ' SER . . . . . 0.412 ' O ' ' HG2' ' A' 1141 ' ' LYS . 5.3 p -79.48 -15.29 58.02 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.968 0.384 . . . . 0.44 111.007 -178.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1139 ' ' ASP . . . . . 0.416 ' OD1' ' HB3' ' A' 1134 ' ' CYS . 4.8 p-10 -73.52 -35.47 65.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.3 0.571 . . . . 0.33000000000000002 109.608 176.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -79.72 -30.25 40.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.803 -0.635 . . . . 0.44 110.069 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1141 ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' 1138 ' ' SER . 14.0 pttp -75.96 -29.36 58.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.023 0.44 . . . . 1.55 110.091 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 121.728 0.775 . . . . 2.0499999999999998 109.93 178.776 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 79.6 m . . . . . 0 N--CA 1.451 -0.406 0 CA-C-O 120.401 0.143 . . . . 0.71999999999999997 110.781 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.2 tp -51.92 160.69 0.67 Allowed 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 123.449 0.7 . . . . 0.52000000000000002 111.939 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 26.4 t70 -60.02 -37.67 80.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.17 0.509 . . . . 2.3199999999999998 110.535 176.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 11.1 p -92.85 -0.86 57.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.947 -0.569 . . . . 0.52000000000000002 111.416 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -100.14 159.3 15.21 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 121.658 0.742 . . . . 1.02 111.957 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 76.0 t80 -105.93 147.6 28.6 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.565 -1.198 . . . . 0.40999999999999998 108.979 175.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 5.9 m -105.67 97.95 7.71 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 108.848 -0.797 . . . . 0.31 108.848 177.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 31.5 m -59.61 161.72 5.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.873 -0.603 . . . . 0.65000000000000002 111.022 -176.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 22.0 t70 -57.15 -28.01 62.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.375 0.607 . . . . 2.6200000000000001 110.638 178.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 4.3 m120 -89.85 18.2 5.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.444 -0.798 . . . . 2.75 110.996 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 33.6 m80 56.1 51.54 11.74 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.204 0.526 . . . . 1.05 110.747 -176.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -116.74 143.48 45.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.986 -0.552 . . . . 1.9099999999999999 109.55 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 72.1 m -101.94 108.35 19.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.968 0.413 . . . . 0.41999999999999998 111.504 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1122 ' ' ILE . . . . . 0.468 HD13 ' SG ' ' A' 1134 ' ' CYS . 42.9 pt -120.91 174.92 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.693 -0.685 . . . . 0.19 109.754 175.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 28.2 t -76.43 144.58 39.88 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.745 -0.465 . . . . 0.33000000000000002 109.745 174.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 94.9 mttt -65.23 -21.17 66.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.488 -0.323 . . . . 1.24 110.803 177.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 17.9 m120 -78.31 -10.99 59.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.033 0.444 . . . . 1.75 110.501 176.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1126 ' ' TRP . . . . . 0.502 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 43.8 m0 -91.38 -12.67 34.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.017 -0.538 . . . . 0.57999999999999996 110.097 178.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 59.1 t -71.09 122.32 22.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 116.226 -0.443 . . . . 0.23999999999999999 111.193 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 35.4 t 64.07 49.45 2.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.614 0.721 . . . . 0.57999999999999996 110.042 176.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -116.79 16.65 15.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.321 -0.854 . . . . 0.46000000000000002 110.321 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 82.0 p 59.87 28.49 17.99 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.621 1.169 . . . . 0.72999999999999998 112.418 -177.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -128.38 136.76 51.36 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.154 -0.475 . . . . 1.21 109.891 173.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -84.48 57.72 4.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.332 0.587 . . . . 2.5800000000000001 111.569 -176.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1133 ' ' ASP . . . . . 0.502 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.1 OUTLIER -62.95 -36.33 83.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.674 -0.694 . . . . 1.28 110.871 175.824 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1134 ' ' CYS . . . . . 0.652 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 94.7 m -75.29 4.84 6.4 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.698 0.258 . . . . 1.5700000000000001 111.698 175.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 78.76 -69.23 2.9 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.858 -0.687 . . . . 1.6799999999999999 111.758 -177.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 5.6 t70 -68.44 -24.82 64.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.568 0.699 . . . . 2.8500000000000001 110.399 174.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 80.32 32.64 34.27 Favored Glycine 0 N--CA 1.443 -0.889 0 N-CA-C 110.592 -1.003 . . . . 0.62 110.592 -173.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1138 ' ' SER . . . . . 0.464 ' HA ' ' HG2' ' A' 1141 ' ' LYS . 3.5 p -67.97 -24.58 65.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.87 0.367 . . . . 0.44 111.269 -178.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1139 ' ' ASP . . . . . 0.652 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 6.2 p-10 -67.15 -28.27 67.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.56 0.695 . . . . 0.33000000000000002 109.304 173.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -82.66 -38.6 23.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.068 -0.969 . . . . 0.44 110.277 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1141 ' ' LYS . . . . . 0.464 ' HG2' ' HA ' ' A' 1138 ' ' SER . 41.6 pttt -75.23 -27.29 59.46 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.968 -0.56 . . . . 1.55 110.542 -177.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 13.9 t-20 . . . . . 0 C--N 1.326 -0.445 0 CA-C-O 121.628 0.728 . . . . 2.0499999999999998 109.437 176.473 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 85.6 m . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.723 0.297 . . . . 0.71999999999999997 110.828 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1110 ' ' LEU . . . . . 0.411 ' HB3' ' HG3' ' A' 1113 ' ' GLN . 9.2 tp -58.66 162.94 3.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.162 -0.472 . . . . 0.52000000000000002 110.423 177.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.55 -47.98 83.78 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.549 -0.46 . . . . 2.3199999999999998 110.008 176.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 22.2 p -82.29 -3.2 54.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.821 -0.627 . . . . 0.52000000000000002 111.616 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1113 ' ' GLN . . . . . 0.411 ' HG3' ' HB3' ' A' 1110 ' ' LEU . 73.5 mt-30 -91.39 152.7 20.3 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.547 0.689 . . . . 1.02 111.6 177.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 87.3 t80 -101.92 148.01 25.84 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.577 -1.192 . . . . 0.40999999999999998 108.962 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 7.2 m -111.32 104.94 13.46 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 116.019 -0.537 . . . . 0.31 109.727 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1116 ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' 1120 ' ' GLN . 71.9 m -59.8 160.3 7.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.139 -0.482 . . . . 0.65000000000000002 111.415 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -56.4 -44.39 80.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.86 0.362 . . . . 2.6200000000000001 110.524 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -83.15 16.2 2.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 2.75 111.511 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 58.6 m80 66.72 83.79 0.16 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.287 0.635 . . . . 1.05 112.031 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1120 ' ' GLN . . . . . 0.468 ' HB3' ' SG ' ' A' 1116 ' ' CYS . 59.2 tp60 -142.6 131.28 22.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.493 -0.776 . . . . 1.9099999999999999 108.936 175.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 62.6 m -94.78 111.48 23.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.937 0.399 . . . . 0.41999999999999998 111.262 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1122 ' ' ILE . . . . . 0.417 HD13 ' HB2' ' A' 1134 ' ' CYS . 44.8 pt -124.27 -176.94 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.135 -0.691 . . . . 0.19 109.135 173.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 29.6 t -78.75 143.46 36.13 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.8 0.333 . . . . 0.33000000000000002 110.342 175.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 95.8 mttt -67.43 -16.04 64.01 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.885 0.374 . . . . 1.24 110.383 174.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 65.3 t30 -76.75 -17.5 59.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.411 0.624 . . . . 1.75 109.55 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 43.4 m0 -89.24 -7.8 54.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.547 -0.751 . . . . 0.57999999999999996 110.653 -178.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1127 ' ' VAL . . . . . 0.43 ' HA ' ' HB2' ' A' 1139 ' ' ASP . 90.2 t -70.67 111.4 4.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 116.047 -0.524 . . . . 0.23999999999999999 110.676 178.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 48.5 t 64.85 47.07 2.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.698 0.761 . . . . 0.57999999999999996 109.941 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -109.43 18.65 20.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.576 -0.738 . . . . 0.46000000000000002 110.481 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 68.5 p 52.9 42.15 32.02 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 123.669 0.788 . . . . 0.72999999999999998 111.352 -177.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 12.3 t70 -139.27 147.35 41.56 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 116.054 -0.521 . . . . 1.21 109.775 175.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -86.31 36.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.725 0.641 . . . . 2.5800000000000001 112.698 -171.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1133 ' ' ASP . . . . . 0.524 ' O ' ' HB3' ' A' 1134 ' ' CYS . 0.7 OUTLIER -62.7 169.54 3.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.597 -0.52 . . . . 1.28 109.597 169.122 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1134 ' ' CYS . . . . . 0.524 ' HB3' ' O ' ' A' 1133 ' ' ASP . 42.2 t 73.26 154.2 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.684 0.615 . . . . 1.5700000000000001 110.16 -176.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -95.49 30.4 8.34 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.548 -0.834 . . . . 1.6799999999999999 112.167 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 20.9 t70 -158.25 -47.15 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.8 0.333 . . . . 2.8500000000000001 111.273 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 104.83 11.12 31.12 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.723 -0.751 . . . . 0.62 112.003 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1138 ' ' SER . . . . . 0.442 ' O ' ' HG2' ' A' 1141 ' ' LYS . 63.4 p -64.96 -16.04 62.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.095 0.474 . . . . 0.44 110.979 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1139 ' ' ASP . . . . . 0.43 ' HB2' ' HA ' ' A' 1127 ' ' VAL . 7.6 p-10 -73.61 -34.83 65.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.763 -0.653 . . . . 0.33000000000000002 109.98 177.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -81.26 -29.36 34.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.899 -0.591 . . . . 0.44 110.096 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1141 ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' 1138 ' ' SER . 14.2 pttp -74.31 -31.69 62.57 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.078 -0.51 . . . . 1.55 110.884 -177.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 5.4 t30 . . . . . 0 C--O 1.235 0.312 0 CA-C-O 121.467 0.651 . . . . 2.0499999999999998 109.518 179.785 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 64.2 m . . . . . 0 C--O 1.236 0.374 0 N-CA-C 109.703 -0.48 . . . . 0.71999999999999997 109.703 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 7.8 tp -54.44 158.1 2.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.784 -0.644 . . . . 0.52000000000000002 110.826 176.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.8 -25.9 68.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.282 -0.417 . . . . 2.3199999999999998 110.912 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 19.3 p -104.72 4.14 32.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.208 -0.451 . . . . 0.52000000000000002 111.036 177.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -100.84 155.33 17.99 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.384 0.611 . . . . 1.02 111.415 177.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 76.2 t80 -106.81 152.54 23.73 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.87 -1.059 . . . . 0.40999999999999998 109.147 177.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 20.4 m -115.38 99.07 7.11 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 116.118 -0.492 . . . . 0.31 109.893 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1116 ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 88.7 m -74.18 -175.38 2.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.761 -0.654 . . . . 0.65000000000000002 112.466 -177.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -53.88 -42.99 69.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.682 -0.69 . . . . 2.6200000000000001 111.674 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -85.74 18.45 2.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.679 -0.237 . . . . 2.75 111.158 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 32.6 m170 58.42 27.93 16.15 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.186 0.517 . . . . 1.05 109.813 -173.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -72.62 112.28 8.52 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.342 -0.844 . . . . 1.9099999999999999 109.298 -177.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 71.2 m -80.81 98.12 7.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.352 0.596 . . . . 0.41999999999999998 110.526 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1122 ' ' ILE . . . . . 0.532 HD13 ' SG ' ' A' 1134 ' ' CYS . 48.4 pt -112.57 175.84 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.312 -0.858 . . . . 0.19 109.192 176.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 16.5 t -74.52 146.21 42.85 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.493 -0.483 . . . . 0.33000000000000002 109.898 175.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.63 -13.68 59.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 1.24 110.271 174.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -85.1 -16.09 41.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.041 -0.527 . . . . 1.75 110.367 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1126 ' ' TRP . . . . . 0.589 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 44.2 m0 -89.5 -9.93 48.18 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 121.386 0.612 . . . . 0.57999999999999996 109.96 178.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 95.0 t -69.32 118.38 13.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.212 -0.904 . . . . 0.23999999999999999 109.958 175.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 41.4 t 65.42 48.21 2.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.784 -0.644 . . . . 0.57999999999999996 109.935 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -112.35 9.14 19.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.824 -0.626 . . . . 0.46000000000000002 110.112 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 56.2 p 55.37 25.19 7.33 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.189 0.996 . . . . 0.72999999999999998 112.574 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 23.3 t70 -128.98 140.0 51.84 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.29 -0.633 . . . . 1.21 109.29 173.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -77.24 102.24 6.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.45 0.643 . . . . 2.5800000000000001 111.728 -171.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1133 ' ' ASP . . . . . 0.589 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.2 OUTLIER -115.43 -21.64 9.71 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.204 -0.907 . . . . 1.28 109.778 174.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1134 ' ' CYS . . . . . 0.532 ' SG ' HD13 ' A' 1122 ' ' ILE . 96.4 m -120.75 141.33 50.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.083 -0.508 . . . . 1.5700000000000001 110.771 175.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -51.77 -64.8 3.63 Favored Glycine 0 C--N 1.335 0.512 0 N-CA-C 114.256 0.462 . . . . 1.6799999999999999 114.256 -172.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 13.5 t70 -66.25 -15.48 63.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.203 0.525 . . . . 2.8500000000000001 111.607 -177.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 71.16 32.15 65.86 Favored Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 109.938 -1.265 . . . . 0.62 109.938 -170.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1138 ' ' SER . . . . . 0.439 ' HA ' ' CD ' ' A' 1141 ' ' LYS . 8.6 p -68.46 -26.07 65.31 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.028 -0.586 . . . . 0.44 111.059 -176.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1139 ' ' ASP . . . . . 0.407 ' HB3' ' SG ' ' A' 1116 ' ' CYS . 8.9 p-10 -68.79 -33.82 74.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.819 -0.628 . . . . 0.33000000000000002 109.588 174.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -78.51 -39.86 36.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.783 -0.644 . . . . 0.44 110.181 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1141 ' ' LYS . . . . . 0.439 ' CD ' ' HA ' ' A' 1138 ' ' SER . 46.6 pttt -68.7 -25.96 65.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.047 -0.524 . . . . 1.55 110.778 -176.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 6.7 t30 . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 122.031 0.92 . . . . 2.0499999999999998 109.01 175.53 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 95.4 m . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.566 0.222 . . . . 0.71999999999999997 111.44 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 7.8 tp -48.01 151.26 0.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 123.21 0.604 . . . . 0.52000000000000002 111.296 -175.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 32.8 t70 -61.77 -27.06 68.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.175 0.512 . . . . 2.3199999999999998 110.312 177.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 6.8 p -99.03 5.0 47.29 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.792 -0.64 . . . . 0.52000000000000002 111.16 176.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1113 ' ' GLN . . . . . 0.426 ' HA ' ' O ' ' A' 1122 ' ' ILE . 65.0 mt-30 -99.09 146.65 25.87 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.746 0.784 . . . . 1.02 111.808 176.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1114 ' ' TYR . . . . . 0.554 ' O ' ' HA ' ' A' 1121 ' ' CYS . 77.7 t80 -107.04 144.41 33.73 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.503 -1.226 . . . . 0.40999999999999998 108.788 175.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 3.0 m -96.83 100.93 12.45 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 109.22 -0.659 . . . . 0.31 109.22 -178.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1116 ' ' CYS . . . . . 0.47 ' HB2' ' O ' ' A' 1120 ' ' GLN . 47.3 m -68.06 171.86 6.36 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.594 0.961 . . . . 0.65000000000000002 113.594 -172.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1117 ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' 1118 ' ' ASN . 2.0 p30 -49.83 -50.08 46.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.437 -1.256 . . . . 2.6200000000000001 111.474 172.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1118 ' ' ASN . . . . . 0.426 ' N ' ' OD1' ' A' 1117 ' ' ASP . 11.5 t-20 -76.41 8.24 3.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.813 -0.63 . . . . 2.75 111.198 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 56.5 m80 70.14 3.89 4.59 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.329 0.652 . . . . 1.05 111.255 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1120 ' ' GLN . . . . . 0.47 ' O ' ' HB2' ' A' 1116 ' ' CYS . 51.1 tp60 -72.93 137.17 45.38 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.484 -0.932 . . . . 1.9099999999999999 108.484 173.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1121 ' ' CYS . . . . . 0.554 ' HA ' ' O ' ' A' 1114 ' ' TYR . 88.1 m -105.6 119.09 38.24 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.715 0.769 . . . . 0.41999999999999998 111.376 -177.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1122 ' ' ILE . . . . . 0.445 ' HB ' ' CE3' ' A' 1126 ' ' TRP . 40.1 pt -109.79 173.74 2.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 114.496 -1.229 . . . . 0.19 109.44 -177.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 46.9 t -74.76 136.76 41.71 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.098 -0.705 . . . . 0.33000000000000002 109.098 174.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.31 -21.34 63.88 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.802 0.334 . . . . 1.24 110.752 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -63.91 -26.44 68.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.874 -0.603 . . . . 1.75 110.95 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1126 ' ' TRP . . . . . 0.445 ' CE3' ' HB ' ' A' 1122 ' ' ILE . 33.3 m0 -82.04 -18.83 41.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.063 0.459 . . . . 0.57999999999999996 110.383 -178.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 84.2 t -65.9 118.74 9.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.897 -0.592 . . . . 0.23999999999999999 110.748 -177.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 41.9 t 66.82 53.98 0.83 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.463 -0.79 . . . . 0.57999999999999996 110.335 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -117.48 27.08 9.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.426 -0.807 . . . . 0.46000000000000002 110.144 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 41.1 p 53.37 38.29 27.5 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.077 -0.965 . . . . 0.72999999999999998 112.026 -177.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -152.24 130.69 12.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.793 -0.64 . . . . 1.21 110.137 176.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1132 ' ' ASN . . . . . 0.509 HD22 ' HA3' ' A' 1137 ' ' GLY . 15.1 m120 -74.35 101.75 4.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.506 0.193 . . . . 2.5800000000000001 111.147 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -93.87 -37.99 11.45 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.867 0.365 . . . . 1.28 110.227 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1134 ' ' CYS . . . . . 0.675 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 61.5 m -72.33 -177.75 2.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.96 -0.564 . . . . 1.5700000000000001 110.763 177.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -71.88 -52.18 12.66 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.538 -0.839 . . . . 1.6799999999999999 111.886 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -92.99 -27.36 17.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.329 0.585 . . . . 2.8500000000000001 109.968 178.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . 0.509 ' HA3' HD22 ' A' 1132 ' ' ASN . . . 111.05 30.68 3.1 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.497 -0.774 . . . . 0.62 111.661 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1138 ' ' SER . . . . . 0.464 ' HA ' ' HG2' ' A' 1141 ' ' LYS . 92.0 p -62.79 -27.03 69.02 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.444 0.298 . . . . 0.44 111.584 -176.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1139 ' ' ASP . . . . . 0.675 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 5.0 p-10 -67.0 -26.83 66.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.294 0.569 . . . . 0.33000000000000002 110.384 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -87.66 -31.9 19.52 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.967 -0.561 . . . . 0.44 110.604 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1141 ' ' LYS . . . . . 0.464 ' HG2' ' HA ' ' A' 1138 ' ' SER . 16.5 pttp -75.06 -29.98 60.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.178 0.513 . . . . 1.55 110.187 -178.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 5.5 t30 . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.72 -0.673 . . . . 2.0499999999999998 109.693 178.81 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 38.6 m . . . . . 0 C--O 1.234 0.271 0 CA-C-O 120.594 0.235 . . . . 0.71999999999999997 110.543 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 11.5 tp -60.94 162.03 7.49 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.453 -0.34 . . . . 0.52000000000000002 110.817 -178.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -62.19 -39.45 92.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.403 0.62 . . . . 2.3199999999999998 109.699 176.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 14.2 p -96.92 6.78 48.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.358 -0.837 . . . . 0.52000000000000002 111.544 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1113 ' ' GLN . . . . . 0.696 ' OE1' ' HB3' ' A' 1121 ' ' CYS . 53.0 mt-30 -99.99 160.71 14.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.127 0.489 . . . . 1.02 111.317 174.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1114 ' ' TYR . . . . . 0.424 ' O ' ' HA ' ' A' 1121 ' ' CYS . 66.9 t80 -113.81 154.4 27.49 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.41 -0.814 . . . . 0.40999999999999998 110.04 178.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 7.5 m -109.97 107.3 17.15 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.991 -0.549 . . . . 0.31 109.944 177.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 92.6 m -75.84 175.87 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.508 -0.315 . . . . 0.65000000000000002 111.529 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -62.9 -28.47 70.07 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.161 0.505 . . . . 2.6200000000000001 110.659 -178.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -82.62 9.43 9.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.868 -0.606 . . . . 2.75 110.39 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 67.1 m80 63.03 26.59 15.53 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.888 -0.596 . . . . 1.05 110.332 -176.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -85.97 130.63 34.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.325 -0.852 . . . . 1.9099999999999999 109.97 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1121 ' ' CYS . . . . . 0.696 ' HB3' ' OE1' ' A' 1113 ' ' GLN . 61.6 m -94.76 102.18 14.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.988 0.423 . . . . 0.41999999999999998 110.992 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 45.5 pt -110.74 173.92 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.105 -0.498 . . . . 0.19 110.231 176.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 10.5 t -72.08 141.31 49.23 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 110.056 -0.35 . . . . 0.33000000000000002 110.056 175.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1124 ' ' LYS . . . . . 0.48 ' HE3' ' O ' ' A' 1113 ' ' GLN . 92.2 mttt -65.57 -16.32 63.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.759 0.314 . . . . 1.24 110.602 176.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -77.12 -22.22 53.0 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.184 0.516 . . . . 1.75 109.816 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1126 ' ' TRP . . . . . 0.52 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 50.5 m0 -86.47 -10.31 54.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.859 -0.609 . . . . 0.57999999999999996 110.469 -178.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1127 ' ' VAL . . . . . 0.415 ' HA ' ' OD2' ' A' 1139 ' ' ASP . 93.9 t -69.84 121.69 19.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.856 -0.611 . . . . 0.23999999999999999 110.685 178.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 28.1 t 64.42 49.6 2.44 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.601 0.715 . . . . 0.57999999999999996 110.207 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -114.32 14.66 18.05 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.576 -0.738 . . . . 0.46000000000000002 110.318 -178.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 72.8 p 57.41 29.84 17.61 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.961 0.905 . . . . 0.72999999999999998 112.133 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 14.5 t70 -133.46 140.79 47.48 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 116.244 -0.434 . . . . 1.21 109.974 174.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 10.0 m120 -84.41 67.87 10.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.334 0.588 . . . . 2.5800000000000001 111.533 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1133 ' ' ASP . . . . . 0.52 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.0 OUTLIER -62.95 -45.6 91.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.342 -0.845 . . . . 1.28 108.892 169.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1134 ' ' CYS . . . . . . . . . . . . . 70.1 m -94.89 136.54 35.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.635 -0.711 . . . . 1.5700000000000001 109.67 169.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -52.28 -54.7 25.46 Favored Glycine 0 C--O 1.236 0.244 0 C-N-CA 121.448 -0.406 . . . . 1.6799999999999999 113.868 -170.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -83.91 0.94 45.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.902 0.382 . . . . 2.8500000000000001 111.829 -175.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 59.96 40.76 97.36 Favored Glycine 0 N--CA 1.453 -0.232 0 CA-C-N 115.653 -0.703 . . . . 0.62 113.071 175.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1138 ' ' SER . . . . . 0.568 ' O ' ' HG2' ' A' 1141 ' ' LYS . 2.1 p -74.38 -16.05 60.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.996 0.427 . . . . 0.44 110.827 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1139 ' ' ASP . . . . . 0.415 ' OD2' ' HA ' ' A' 1127 ' ' VAL . 4.5 p-10 -73.71 -35.08 65.07 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.138 -0.69 . . . . 0.33000000000000002 109.138 174.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -72.32 -39.56 68.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.435 -0.802 . . . . 0.44 109.873 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1141 ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' 1138 ' ' SER . 15.2 pttp -66.49 -28.68 68.77 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.259 0.552 . . . . 1.55 109.871 178.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 5.3 t30 . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 115.516 -0.765 . . . . 2.0499999999999998 109.185 177.314 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.236 0.362 0 CA-C-O 120.912 0.387 . . . . 0.71999999999999997 111.693 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 9.3 tp -57.5 157.84 6.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.664 -0.698 . . . . 0.52000000000000002 110.552 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -66.96 -26.58 66.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.053 0.454 . . . . 2.3199999999999998 109.798 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 6.5 p -99.42 1.8 44.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.73 -0.668 . . . . 0.52000000000000002 111.18 177.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -100.37 164.89 11.72 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.263 0.554 . . . . 1.02 111.115 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 71.0 t80 -109.15 150.34 28.01 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.037 -0.983 . . . . 0.40999999999999998 109.639 173.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 9.6 m -113.41 103.25 11.1 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.704 -0.68 . . . . 0.31 109.614 178.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 76.5 m -66.34 169.3 7.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.428 -0.351 . . . . 0.65000000000000002 111.337 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 15.1 t70 -54.74 -47.02 74.35 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.565 -0.289 . . . . 2.6200000000000001 111.775 -172.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -88.44 30.12 0.92 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.801 0.334 . . . . 2.75 111.551 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 64.0 m170 59.76 64.33 1.32 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.709 -0.678 . . . . 1.05 112.108 175.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1120 ' ' GLN . . . . . 0.497 ' OE1' ' HA ' ' A' 1120 ' ' GLN . 6.0 tp60 -118.46 128.38 54.55 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.601 -0.518 . . . . 1.9099999999999999 109.601 173.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 75.2 m -90.38 112.62 24.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.937 -0.574 . . . . 0.41999999999999998 110.997 -178.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1122 ' ' ILE . . . . . 0.438 HD13 ' SG ' ' A' 1134 ' ' CYS . 38.3 pt -129.88 169.95 19.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.713 -0.676 . . . . 0.19 110.07 177.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 13.1 t -70.83 144.68 50.7 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.869 -0.419 . . . . 0.33000000000000002 109.869 175.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 97.1 mttt -68.65 -11.05 59.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.368 . . . . 1.24 110.138 175.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -79.56 -20.47 46.98 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.21 0.528 . . . . 1.75 109.841 174.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1126 ' ' TRP . . . . . 0.475 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 46.0 m0 -87.55 -13.71 42.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.766 -0.652 . . . . 0.57999999999999996 110.336 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 89.5 t -69.98 120.49 17.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.118 -0.492 . . . . 0.23999999999999999 110.416 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 41.9 t 63.59 48.89 3.22 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.627 0.727 . . . . 0.57999999999999996 110.368 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -114.34 12.35 17.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.661 -0.7 . . . . 0.46000000000000002 109.723 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 57.9 p 56.19 31.41 18.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.815 -1.084 . . . . 0.72999999999999998 112.318 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 21.7 t70 -131.07 146.65 52.45 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-N 116.347 -0.388 . . . . 1.21 110.195 174.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -82.69 88.25 6.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.697 -0.683 . . . . 2.5800000000000001 111.218 -176.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1133 ' ' ASP . . . . . 0.475 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.0 OUTLIER -98.09 -18.83 18.31 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.607 -0.724 . . . . 1.28 110.19 178.459 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1134 ' ' CYS . . . . . 0.438 ' SG ' HD13 ' A' 1122 ' ' ILE . 87.8 m -118.98 146.39 45.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.939 -0.573 . . . . 1.5700000000000001 110.095 175.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -79.88 47.39 3.31 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 121.164 -0.541 . . . . 1.6799999999999999 112.963 -176.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 3.9 p30 -164.91 -35.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 122.607 0.363 . . . . 2.8500000000000001 110.671 178.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 90.68 18.3 48.68 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.087 -0.578 . . . . 0.62 111.898 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1138 ' ' SER . . . . . 0.53 ' O ' ' HG2' ' A' 1141 ' ' LYS . 37.3 p -69.05 -22.77 64.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.563 0.22 . . . . 0.44 111.397 -177.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1139 ' ' ASP . . . . . 0.515 ' HA ' ' ND2' ' A' 1142 ' ' ASN . 3.3 p-10 -69.17 -32.76 72.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.347 0.594 . . . . 0.33000000000000002 109.814 176.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -79.65 -26.55 41.03 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.713 -0.676 . . . . 0.44 110.377 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1141 ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' 1138 ' ' SER . 54.2 pttt -82.69 -26.96 31.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.319 -0.401 . . . . 1.55 111.679 -174.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1142 ' ' ASN . . . . . 0.515 ' ND2' ' HA ' ' A' 1139 ' ' ASP . 7.8 p30 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.057 0.456 . . . . 2.0499999999999998 110.644 -178.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 38.5 m . . . . . 0 N--CA 1.449 -0.518 0 CA-C-O 120.565 0.221 . . . . 0.71999999999999997 110.503 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.2 tp -56.93 151.16 15.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.97 -0.559 . . . . 0.52000000000000002 109.949 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.12 -23.54 67.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.978 0.418 . . . . 2.3199999999999998 110.337 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1112 ' ' THR . . . . . 0.576 ' O ' ' HG3' ' A' 1124 ' ' LYS . 5.1 p -100.93 7.47 43.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.07 -0.514 . . . . 0.52000000000000002 111.095 175.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1113 ' ' GLN . . . . . 0.713 ' OE1' ' HB3' ' A' 1121 ' ' CYS . 59.2 mt-30 -105.87 167.67 9.63 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.272 0.558 . . . . 1.02 110.896 173.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 61.3 t80 -107.76 151.12 26.13 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.356 -0.838 . . . . 0.40999999999999998 110.013 177.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 10.6 m -108.16 114.09 27.71 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.565 -0.743 . . . . 0.31 109.746 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 23.6 m -76.12 167.56 21.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.584 -0.28 . . . . 0.65000000000000002 110.848 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 25.2 t70 -56.88 -36.86 70.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.235 0.54 . . . . 2.6200000000000001 110.68 177.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -79.83 12.74 2.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.8 -0.636 . . . . 2.75 111.248 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 39.1 m80 63.98 26.44 14.12 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 122.765 0.426 . . . . 1.05 110.883 -177.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -87.83 151.91 22.5 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.378 -0.601 . . . . 1.9099999999999999 109.378 178.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1121 ' ' CYS . . . . . 0.713 ' HB3' ' OE1' ' A' 1113 ' ' GLN . 60.0 m -113.18 113.59 25.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.099 0.476 . . . . 0.41999999999999998 111.577 -176.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1122 ' ' ILE . . . . . 0.413 ' HB ' ' CE3' ' A' 1126 ' ' TRP . 38.5 pt -120.83 169.2 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.836 -0.62 . . . . 0.19 109.734 177.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 14.3 t -72.63 145.9 46.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.868 0.366 . . . . 0.33000000000000002 110.127 175.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1124 ' ' LYS . . . . . 0.576 ' HG3' ' O ' ' A' 1112 ' ' THR . 49.8 mttm -67.78 -15.8 63.81 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.096 -0.502 . . . . 1.24 110.556 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 16.1 m120 -74.13 -22.24 59.54 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 120.982 0.42 . . . . 1.75 110.71 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1126 ' ' TRP . . . . . 0.413 ' CE3' ' HB ' ' A' 1122 ' ' ILE . 36.0 m0 -79.88 -23.42 41.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.118 -0.492 . . . . 0.57999999999999996 110.189 -178.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 67.0 t -64.16 116.61 3.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.101 -0.499 . . . . 0.23999999999999999 111.031 -176.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1128 ' ' CYS . . . . . 0.415 ' HA ' ' OE1' ' A' 1140 ' ' GLU . 41.6 t 64.36 52.08 1.94 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 122.114 0.959 . . . . 0.57999999999999996 110.179 178.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -110.19 14.11 22.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.163 -0.926 . . . . 0.46000000000000002 109.54 176.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 40.9 p 66.17 8.29 5.44 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.094 1.357 . . . . 0.72999999999999998 112.217 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 31.8 t70 -120.68 104.0 9.57 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.081 -0.711 . . . . 1.21 109.081 172.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 9.0 p30 -59.53 128.64 38.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.139 0.495 . . . . 2.5800000000000001 111.978 -173.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1133 ' ' ASP . . . . . 0.403 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 18.3 m-20 -113.66 -172.23 2.04 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.947 -0.76 . . . . 1.28 108.947 176.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1134 ' ' CYS . . . . . . . . . . . . . 35.6 m 66.89 9.34 6.75 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.105 0.253 . . . . 1.5700000000000001 111.373 177.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 74.65 -47.02 1.75 Allowed Glycine 0 CA--C 1.522 0.517 0 C-N-CA 121.319 -0.467 . . . . 1.6799999999999999 112.892 -176.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -95.76 -8.1 35.37 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.099 0.407 . . . . 2.8500000000000001 112.099 -177.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 75.91 30.99 56.78 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.559 -0.829 . . . . 0.62 112.574 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1138 ' ' SER . . . . . . . . . . . . . 27.6 p -73.64 -1.02 17.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.049 0.452 . . . . 0.44 111.407 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -96.1 -26.68 15.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.121 0.486 . . . . 0.33000000000000002 110.045 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1140 ' ' GLU . . . . . 0.415 ' OE1' ' HA ' ' A' 1128 ' ' CYS . 75.7 mm-40 -92.34 -9.04 43.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.008 -0.542 . . . . 0.44 110.315 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1141 ' ' LYS . . . . . . . . . . . . . 21.7 pttp -66.24 -28.96 69.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.093 0.473 . . . . 1.55 110.652 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 10.7 t30 . . . . . 0 C--N 1.327 -0.401 0 CA-C-O 121.647 0.737 . . . . 2.0499999999999998 109.326 176.178 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 59.8 m . . . . . 0 C--O 1.235 0.306 0 CA-C-O 121.11 0.481 . . . . 0.71999999999999997 111.819 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.5 tp -60.21 160.99 7.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.675 -0.693 . . . . 0.52000000000000002 110.386 177.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -64.44 -34.75 78.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.971 0.415 . . . . 2.3199999999999998 110.222 176.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 29.5 p -89.69 -3.91 57.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.01 -0.541 . . . . 0.52000000000000002 111.221 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -94.61 157.16 16.1 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 121.895 0.855 . . . . 1.02 112.129 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 88.2 t80 -103.14 150.82 23.26 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.158 -1.383 . . . . 0.40999999999999998 108.652 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 12.9 m -115.29 100.44 8.13 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 116.218 -0.446 . . . . 0.31 109.933 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 34.4 m -60.01 162.85 5.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.732 -0.667 . . . . 0.65000000000000002 110.332 178.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 13.8 t70 -67.78 -3.86 10.71 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.627 0.727 . . . . 2.6200000000000001 110.414 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 14.0 m120 -104.4 15.56 27.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.27 -0.877 . . . . 2.75 110.175 177.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 30.7 m80 57.57 32.1 21.32 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.138 0.494 . . . . 1.05 111.204 -175.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -95.62 124.85 39.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.828 -0.624 . . . . 1.9099999999999999 109.728 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 66.9 m -89.74 119.54 30.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.937 0.398 . . . . 0.41999999999999998 110.975 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 45.0 pt -132.91 173.58 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.815 -0.63 . . . . 0.19 109.632 176.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 13.4 t -71.65 141.31 49.92 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.011 0.434 . . . . 0.33000000000000002 110.114 174.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.72 -20.92 66.61 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 116.154 -0.475 . . . . 1.24 110.364 175.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -78.52 -13.77 59.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.001 0.429 . . . . 1.75 110.643 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 40.6 m0 -86.25 -17.71 34.02 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.975 -0.557 . . . . 0.57999999999999996 110.29 177.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 60.0 t -67.68 120.59 15.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 116.454 -0.339 . . . . 0.23999999999999999 111.107 -176.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 44.3 t 62.51 54.47 2.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.674 0.75 . . . . 0.57999999999999996 110.395 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -116.95 27.59 9.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.493 -0.776 . . . . 0.46000000000000002 110.262 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 40.2 p 60.31 16.52 6.27 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.458 1.103 . . . . 0.72999999999999998 112.334 -179.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 15.2 t70 -133.38 119.92 20.29 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.708 -0.478 . . . . 1.21 109.708 177.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -69.95 106.35 3.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.265 0.555 . . . . 2.5800000000000001 111.033 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -95.0 -39.73 10.02 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 116.219 -0.446 . . . . 1.28 110.708 -177.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1134 ' ' CYS . . . . . 0.601 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 21.4 m -73.83 152.97 40.11 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.264 -0.643 . . . . 1.5700000000000001 109.264 175.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -49.94 -58.58 8.39 Favored Glycine 0 C--O 1.235 0.195 0 C-N-CA 120.969 -0.634 . . . . 1.6799999999999999 112.592 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 31.1 t70 -75.8 -22.07 56.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.904 0.383 . . . . 2.8500000000000001 110.926 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 95.46 27.96 10.15 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 121.149 -0.548 . . . . 0.62 112.613 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1138 ' ' SER . . . . . 0.451 ' HA ' ' HG2' ' A' 1141 ' ' LYS . 80.2 p -64.89 -23.25 67.17 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.141 0.422 . . . . 0.44 112.141 -175.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1139 ' ' ASP . . . . . 0.601 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 6.5 p-10 -70.5 -25.63 63.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.118 0.485 . . . . 0.33000000000000002 110.568 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -90.33 -29.94 17.77 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.935 -0.575 . . . . 0.44 110.407 178.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1141 ' ' LYS . . . . . 0.451 ' HG2' ' HA ' ' A' 1138 ' ' SER . 46.2 pttt -75.54 -31.78 60.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.027 0.441 . . . . 1.55 110.11 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 6.4 t30 . . . . . 0 C--N 1.327 -0.385 0 CA-C-O 121.334 0.588 . . . . 2.0499999999999998 109.416 177.007 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 84.6 m . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.312 -0.255 . . . . 0.71999999999999997 110.312 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.7 tp -59.59 157.3 11.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.016 -0.538 . . . . 0.52000000000000002 110.33 176.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 38.6 t70 -69.09 -24.35 64.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.05 0.452 . . . . 2.3199999999999998 110.632 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 11.6 p -96.99 -1.28 45.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.098 0.475 . . . . 0.52000000000000002 110.916 174.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -99.64 156.83 16.86 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 121.56 0.695 . . . . 1.02 111.525 178.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 75.8 t80 -106.14 151.05 25.23 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 114.723 -1.126 . . . . 0.40999999999999998 108.925 177.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 22.1 m -114.33 107.53 15.7 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.064 0.459 . . . . 0.31 110.441 -177.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 82.7 m -67.28 170.46 7.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.66 -0.7 . . . . 0.65000000000000002 111.845 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 7.2 t70 -58.15 -32.85 68.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.815 -0.629 . . . . 2.6200000000000001 109.687 171.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 5.5 m120 -78.89 2.85 18.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.376 -0.829 . . . . 2.75 111.348 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 47.5 m80 64.4 27.2 13.62 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.189 0.519 . . . . 1.05 110.841 -174.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1120 ' ' GLN . . . . . 0.533 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 56.9 tp60 -88.15 140.42 29.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.734 -0.666 . . . . 1.9099999999999999 109.458 176.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 59.9 m -103.84 103.21 13.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.371 -0.377 . . . . 0.41999999999999998 111.477 -175.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 45.1 pt -107.28 -178.22 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.324 -0.398 . . . . 0.19 109.964 175.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 12.2 t -79.31 141.26 37.17 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.685 0.279 . . . . 0.33000000000000002 110.337 175.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 93.6 mttt -66.05 -17.57 64.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.218 -0.446 . . . . 1.24 111.075 175.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -79.84 -17.68 52.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.056 0.455 . . . . 1.75 110.641 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 50.7 m0 -90.77 -9.11 47.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.05 -0.523 . . . . 0.57999999999999996 110.778 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 71.2 t -67.48 125.27 24.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.924 -0.58 . . . . 0.23999999999999999 111.159 -178.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 48.1 t 59.05 51.39 7.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.538 -0.755 . . . . 0.57999999999999996 110.532 177.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -112.82 18.71 17.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.471 -0.786 . . . . 0.46000000000000002 109.908 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 61.3 p 58.55 28.31 16.86 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.47 1.108 . . . . 0.72999999999999998 112.626 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 33.9 t70 -143.02 145.78 33.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.833 -0.621 . . . . 1.21 109.473 171.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1132 ' ' ASN . . . . . 0.408 ' OD1' ' HA2' ' A' 1137 ' ' GLY . 44.5 t30 -90.9 112.78 24.77 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.2 0.524 . . . . 2.5800000000000001 110.835 -178.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.79 -1.65 29.44 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 115.532 -0.758 . . . . 1.28 109.994 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1134 ' ' CYS . . . . . 0.533 ' SG ' ' HB3' ' A' 1120 ' ' GLN . 11.4 t -126.91 -175.07 3.31 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.608 -0.724 . . . . 1.5700000000000001 110.233 -171.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -70.61 -69.59 1.36 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.572 -0.823 . . . . 1.6799999999999999 112.438 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -71.17 -31.29 67.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.014 0.435 . . . . 2.8500000000000001 111.665 -178.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . 0.408 ' HA2' ' OD1' ' A' 1132 ' ' ASN . . . 87.87 26.86 28.07 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 110.909 -0.876 . . . . 0.62 110.909 -173.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1138 ' ' SER . . . . . 0.458 ' HA ' ' HG2' ' A' 1141 ' ' LYS . 64.9 p -68.76 -16.82 63.91 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.23 -0.485 . . . . 0.44 111.489 -174.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -68.93 -22.82 64.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.466 0.65 . . . . 0.33000000000000002 109.939 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -95.11 -39.2 10.25 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.594 -0.73 . . . . 0.44 110.156 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1141 ' ' LYS . . . . . 0.458 ' HG2' ' HA ' ' A' 1138 ' ' SER . 14.8 pttp -68.52 -30.21 68.96 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.805 0.336 . . . . 1.55 111.328 -174.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 63.0 t30 . . . . . 0 C--N 1.327 -0.37 0 CA-C-O 121.472 0.653 . . . . 2.0499999999999998 109.615 177.856 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1109 ' ' CYS . . . . . 0.446 ' N ' ' HG1' ' A' 1115 ' ' THR . 84.8 m . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.739 0.304 . . . . 0.71999999999999997 111.297 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1110 ' ' LEU . . . . . 0.5 ' CB ' ' HB2' ' A' 1113 ' ' GLN . 5.0 tp -51.84 163.18 0.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 123.668 0.787 . . . . 0.52000000000000002 111.894 -178.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -61.42 -39.98 92.74 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.974 0.416 . . . . 2.3199999999999998 110.238 178.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1112 ' ' THR . . . . . 0.549 ' O ' ' HG3' ' A' 1124 ' ' LYS . 25.6 p -95.34 8.81 42.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.206 -0.452 . . . . 0.52000000000000002 111.377 177.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1113 ' ' GLN . . . . . 0.5 ' HB2' ' CB ' ' A' 1110 ' ' LEU . 15.1 mt-30 -110.7 150.31 29.22 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-O 121.855 0.835 . . . . 1.02 112.066 178.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 78.7 t80 -98.74 148.1 24.21 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.075 -1.421 . . . . 0.40999999999999998 109.502 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1115 ' ' THR . . . . . 0.446 ' HG1' ' N ' ' A' 1109 ' ' CYS . 4.6 m -109.19 100.22 9.4 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.564 -0.743 . . . . 0.31 109.47 179.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1116 ' ' CYS . . . . . 0.472 ' HB3' ' OG ' ' A' 1138 ' ' SER . 99.3 m -72.56 173.31 9.08 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.241 -0.436 . . . . 0.65000000000000002 111.779 -177.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 19.0 t70 -58.34 -40.79 83.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.036 0.446 . . . . 2.6200000000000001 110.893 -178.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -83.37 14.7 3.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.06 -0.518 . . . . 2.75 110.79 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 41.7 m80 63.67 23.01 13.36 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.546 -0.752 . . . . 1.05 111.8 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -76.41 134.67 39.54 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.469 -0.567 . . . . 1.9099999999999999 109.469 175.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1121 ' ' CYS . . . . . 0.465 ' HB3' ' NE2' ' A' 1113 ' ' GLN . 96.1 m -100.98 103.87 15.02 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.117 -0.492 . . . . 0.41999999999999998 110.801 -177.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 35.7 pt -116.16 166.17 10.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.787 -0.642 . . . . 0.19 109.912 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 40.3 t -69.99 140.02 52.88 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.97 -0.752 . . . . 0.33000000000000002 108.97 174.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1124 ' ' LYS . . . . . 0.549 ' HG3' ' O ' ' A' 1112 ' ' THR . 85.0 mttt -63.71 -15.22 57.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.909 0.385 . . . . 1.24 110.608 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 6.8 t30 -73.05 -21.08 60.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.831 -0.622 . . . . 1.75 110.63 177.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 35.3 m0 -86.01 -17.25 35.78 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.022 0.439 . . . . 0.57999999999999996 110.327 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 92.5 t -66.34 117.5 7.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.961 -0.563 . . . . 0.23999999999999999 110.625 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 41.9 t 63.69 57.37 1.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.843 0.83 . . . . 0.57999999999999996 110.184 -178.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -115.88 23.95 11.86 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.281 -0.872 . . . . 0.46000000000000002 109.57 175.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 35.0 p 65.86 14.76 9.75 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.615 1.166 . . . . 0.72999999999999998 112.43 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 34.7 t70 -135.01 133.72 39.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.39 -0.368 . . . . 1.21 110.446 174.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -75.37 108.64 8.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.201 -0.454 . . . . 2.5800000000000001 110.36 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -94.37 -44.51 7.88 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 120.937 0.399 . . . . 1.28 110.713 -177.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1134 ' ' CYS . . . . . . . . . . . . . 86.2 m -84.13 62.55 7.16 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.02 -0.536 . . . . 1.5700000000000001 111.161 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 63.57 -92.74 0.11 Allowed Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.919 -0.582 . . . . 1.6799999999999999 112.448 178.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.59 -24.51 62.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.07 0.462 . . . . 2.8500000000000001 110.578 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 92.74 46.56 3.39 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.624 -0.798 . . . . 0.62 112.709 176.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1138 ' ' SER . . . . . 0.672 ' O ' ' HG2' ' A' 1141 ' ' LYS . 15.1 p -62.41 -20.55 64.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.946 0.403 . . . . 0.44 110.843 178.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -72.62 -17.16 61.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.273 0.559 . . . . 0.33000000000000002 110.8 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -95.05 -26.17 16.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.168 -0.469 . . . . 0.44 110.506 178.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1141 ' ' LYS . . . . . 0.672 ' HG2' ' O ' ' A' 1138 ' ' SER . 19.1 pttp -71.74 -23.44 61.61 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.176 -0.465 . . . . 1.55 111.644 -172.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 3.8 p-10 . . . . . 0 C--N 1.322 -0.609 0 CA-C-O 120.882 0.372 . . . . 2.0499999999999998 111.346 -176.92 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 70.2 m . . . . . 0 C--O 1.236 0.387 0 CA-C-O 120.784 0.326 . . . . 0.71999999999999997 111.019 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.9 tp -71.07 173.05 8.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.005 -0.543 . . . . 0.52000000000000002 110.463 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -76.14 -37.11 58.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.89 0.376 . . . . 2.3199999999999998 110.413 176.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 17.6 p -91.81 6.08 47.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.021 0.438 . . . . 0.52000000000000002 111.046 175.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -100.61 158.02 16.25 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 121.475 0.655 . . . . 1.02 111.327 174.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 78.3 t80 -113.07 148.37 35.35 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.806 -1.088 . . . . 0.40999999999999998 109.451 176.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 12.8 m -102.31 107.73 18.85 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.673 -0.694 . . . . 0.31 109.768 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 61.8 m -63.73 161.02 15.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.8 -0.636 . . . . 0.65000000000000002 110.857 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 29.7 t70 -59.48 -30.82 68.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.26 0.553 . . . . 2.6200000000000001 109.827 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 12.8 m120 -78.56 12.71 1.89 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.382 -0.826 . . . . 2.75 111.448 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 70.8 m80 61.7 49.41 4.95 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 122.784 0.434 . . . . 1.05 110.583 -179.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -122.81 147.41 46.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.124 -0.489 . . . . 1.9099999999999999 110.332 -177.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 86.0 m -102.32 105.78 16.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.923 0.392 . . . . 0.41999999999999998 111.128 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 45.7 pt -115.37 174.42 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.05 -0.523 . . . . 0.19 109.812 175.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 40.3 t -78.5 141.03 38.5 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.849 0.357 . . . . 0.33000000000000002 110.225 176.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 64.1 mttm -64.95 -19.29 65.88 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.136 -0.484 . . . . 1.24 111.28 178.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -79.71 -8.0 58.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.963 0.411 . . . . 1.75 111.051 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 43.9 m0 -93.34 -17.61 23.36 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.737 -0.468 . . . . 0.57999999999999996 109.737 177.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 92.7 t -64.21 121.16 12.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.845 -0.616 . . . . 0.23999999999999999 111.036 -177.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 63.32 43.45 6.15 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.393 -0.822 . . . . 0.57999999999999996 111.255 175.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -102.54 21.72 14.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.731 -0.668 . . . . 0.46000000000000002 109.642 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 76.7 p 59.22 28.9 18.35 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.566 1.146 . . . . 0.72999999999999998 112.031 -177.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 37.9 t70 -142.44 130.12 21.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.873 -0.603 . . . . 1.21 110.129 175.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -76.87 103.44 6.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.719 0.295 . . . . 2.5800000000000001 111.106 -177.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -88.65 -45.24 10.0 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.042 0.449 . . . . 1.28 110.084 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1134 ' ' CYS . . . . . . . . . . . . . 17.1 m -71.34 164.5 25.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.583 -0.735 . . . . 1.5700000000000001 110.381 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -49.75 -51.15 29.58 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 121.412 -0.423 . . . . 1.6799999999999999 113.103 -178.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -105.31 17.66 23.6 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.703 -0.293 . . . . 2.8500000000000001 111.415 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 59.13 41.77 96.77 Favored Glycine 0 C--N 1.33 0.248 0 C-N-CA 121.013 -0.613 . . . . 0.62 112.446 -178.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1138 ' ' SER . . . . . 0.489 ' O ' ' HG2' ' A' 1141 ' ' LYS . 55.2 p -66.66 -25.5 66.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.96 0.41 . . . . 0.44 111.189 -177.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -70.84 -14.73 62.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.147 0.499 . . . . 0.33000000000000002 110.519 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -102.76 -16.27 16.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.879 -0.601 . . . . 0.44 110.523 178.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1141 ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' 1138 ' ' SER . 17.9 pttp -85.83 -36.1 20.23 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.751 -0.38 . . . . 1.55 111.88 -172.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 2.3 p-10 . . . . . 0 C--N 1.325 -0.495 0 CA-C-O 121.509 0.671 . . . . 2.0499999999999998 110.803 -178.115 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 56.4 m . . . . . 0 C--O 1.234 0.275 0 CA-C-O 121.112 0.482 . . . . 0.71999999999999997 111.279 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.9 tp -61.44 160.42 11.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.86 -0.609 . . . . 0.52000000000000002 110.548 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.7 -38.81 86.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.133 0.492 . . . . 2.3199999999999998 109.847 174.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 13.4 p -94.13 9.24 38.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.659 -0.7 . . . . 0.52000000000000002 111.487 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -103.26 157.39 17.05 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.611 0.719 . . . . 1.02 111.642 174.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1114 ' ' TYR . . . . . 0.472 ' O ' ' HA ' ' A' 1121 ' ' CYS . 90.2 t80 -111.02 154.05 24.73 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.579 -1.191 . . . . 0.40999999999999998 109.749 178.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 4.6 m -106.51 101.63 11.08 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.028 -0.533 . . . . 0.31 110.024 -178.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1116 ' ' CYS . . . . . 0.436 ' HB2' ' HB3' ' A' 1120 ' ' GLN . 55.9 m -67.31 171.85 5.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.65000000000000002 111.346 -178.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 27.8 t70 -51.78 -45.99 63.99 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 122.631 0.373 . . . . 2.6200000000000001 111.745 -177.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -92.6 33.37 1.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.783 0.325 . . . . 2.75 111.459 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 34.0 m170 63.18 28.72 15.99 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.007 -0.542 . . . . 1.05 111.941 174.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1120 ' ' GLN . . . . . 0.436 ' HB3' ' HB2' ' A' 1116 ' ' CYS . 28.4 tp60 -87.81 125.22 34.33 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.907 -0.405 . . . . 1.9099999999999999 109.907 177.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1121 ' ' CYS . . . . . 0.472 ' HA ' ' O ' ' A' 1114 ' ' TYR . 58.8 m -88.2 101.14 13.54 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.424 -0.353 . . . . 0.41999999999999998 110.781 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1122 ' ' ILE . . . . . 0.45 HD13 ' SG ' ' A' 1134 ' ' CYS . 42.4 pt -103.0 172.26 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.737 -0.468 . . . . 0.19 109.737 174.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 30.1 t -74.42 143.48 44.72 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.849 -0.426 . . . . 0.33000000000000002 109.849 175.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1124 ' ' LYS . . . . . 0.408 ' HA ' HG23 ' A' 1127 ' ' VAL . 63.7 mttm -67.13 -15.34 63.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.494 -0.321 . . . . 1.24 110.79 177.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 18.6 m120 -74.14 -14.04 60.91 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.097 0.475 . . . . 1.75 110.376 174.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1126 ' ' TRP . . . . . 0.486 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 47.3 m0 -97.24 -11.24 24.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.035 -0.53 . . . . 0.57999999999999996 110.937 -177.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1127 ' ' VAL . . . . . 0.408 HG23 ' HA ' ' A' 1124 ' ' LYS . 60.9 t -73.54 118.49 18.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.37 -0.377 . . . . 0.23999999999999999 111.267 -177.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1128 ' ' CYS . . . . . 0.452 ' HA ' ' OE1' ' A' 1140 ' ' GLU . 50.4 t 58.82 54.81 4.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.262 -0.881 . . . . 0.57999999999999996 109.732 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -113.04 14.14 19.55 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.105 -0.952 . . . . 0.46000000000000002 109.29 177.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 82.1 p 57.07 29.32 16.32 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 114.704 -1.135 . . . . 0.72999999999999998 111.536 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 14.4 t70 -135.0 142.48 46.45 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.816 -0.629 . . . . 1.21 109.555 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -78.58 116.77 19.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.31 -0.404 . . . . 2.5800000000000001 111.57 -174.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1133 ' ' ASP . . . . . 0.486 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.0 OUTLIER -133.66 -39.14 0.89 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.785 -0.643 . . . . 1.28 111.08 178.601 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1134 ' ' CYS . . . . . 0.656 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 88.2 m -77.09 34.76 0.16 Allowed 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.312 0.486 . . . . 1.5700000000000001 112.312 177.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 73.41 -71.28 1.28 Allowed Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.841 -0.695 . . . . 1.6799999999999999 112.438 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 13.8 t70 -93.08 -49.79 5.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.78 0.324 . . . . 2.8500000000000001 110.192 177.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 133.94 40.9 0.17 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.712 -0.756 . . . . 0.62 112.828 175.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1138 ' ' SER . . . . . 0.444 ' O ' ' HG2' ' A' 1141 ' ' LYS . 80.0 p -66.3 -25.49 66.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.963 0.411 . . . . 0.44 111.027 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1139 ' ' ASP . . . . . 0.656 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 5.4 p-10 -68.33 -29.54 68.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.04 -0.527 . . . . 0.33000000000000002 110.111 178.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1140 ' ' GLU . . . . . 0.452 ' OE1' ' HA ' ' A' 1128 ' ' CYS . 69.4 mm-40 -85.58 -36.3 20.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.733 -0.667 . . . . 0.44 110.442 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1141 ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' 1138 ' ' SER . 18.4 pttp -66.32 -32.88 74.56 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.216 -0.447 . . . . 1.55 111.742 -173.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 10.0 p30 . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 121.109 0.481 . . . . 2.0499999999999998 110.398 -178.846 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 77.8 m . . . . . 0 C--O 1.236 0.383 0 CA-C-O 121.179 0.514 . . . . 0.71999999999999997 111.653 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1110 ' ' LEU . . . . . 0.592 ' HB2' HE21 ' A' 1113 ' ' GLN . 4.3 tp -61.2 162.56 7.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.62 -0.718 . . . . 0.52000000000000002 110.457 177.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -65.65 -25.78 67.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.238 0.542 . . . . 2.3199999999999998 110.182 176.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1112 ' ' THR . . . . . 0.467 ' O ' ' HG3' ' A' 1124 ' ' LYS . 10.8 p -105.26 10.29 33.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.769 -0.65 . . . . 0.52000000000000002 111.274 176.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1113 ' ' GLN . . . . . 0.592 HE21 ' HB2' ' A' 1110 ' ' LEU . 26.9 mt-30 -115.12 152.68 32.12 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-O 121.945 0.879 . . . . 1.02 112.239 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1114 ' ' TYR . . . . . 0.479 ' O ' ' HA ' ' A' 1121 ' ' CYS . 62.0 t80 -104.45 149.85 25.07 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 113.937 -1.483 . . . . 0.40999999999999998 109.707 178.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 8.7 m -101.44 103.19 14.09 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.763 -0.653 . . . . 0.31 109.643 178.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 61.3 m -68.28 163.25 23.33 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.67 -0.695 . . . . 0.65000000000000002 110.662 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 18.1 t70 -56.85 -37.51 71.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.116 0.484 . . . . 2.6200000000000001 111.044 -177.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -81.14 17.89 1.18 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.746 -0.661 . . . . 2.75 111.262 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 64.3 m80 63.87 27.05 14.43 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.092 0.557 . . . . 1.05 111.082 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -95.63 139.71 31.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.871 -0.604 . . . . 1.9099999999999999 109.943 177.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1121 ' ' CYS . . . . . 0.479 ' HA ' ' O ' ' A' 1114 ' ' TYR . 68.7 m -101.11 120.02 39.6 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.96 0.409 . . . . 0.41999999999999998 110.925 -179.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 47.7 pt -118.95 168.33 11.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.28 -0.637 . . . . 0.19 109.28 174.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 39.2 t -73.37 141.1 47.03 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.291 -0.633 . . . . 0.33000000000000002 109.291 175.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1124 ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' 1112 ' ' THR . 51.6 mttm -65.23 -20.37 66.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.039 -0.528 . . . . 1.24 110.504 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 11.5 t30 -69.76 -20.43 63.49 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.224 0.535 . . . . 1.75 110.412 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1126 ' ' TRP . . . . . 0.504 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 34.9 m0 -87.59 -13.27 43.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.973 -0.558 . . . . 0.57999999999999996 110.444 -178.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1127 ' ' VAL . . . . . 0.413 HG23 ' HA ' ' A' 1124 ' ' LYS . 99.3 t -67.42 123.67 21.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.763 -0.653 . . . . 0.23999999999999999 111.125 -179.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1128 ' ' CYS . . . . . 0.498 ' HA ' ' OE1' ' A' 1140 ' ' GLU . 42.0 t 60.2 55.62 3.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.312 -0.858 . . . . 0.57999999999999996 110.325 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -116.53 17.63 15.32 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.235 -0.893 . . . . 0.46000000000000002 109.325 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 50.4 p 58.63 22.82 10.27 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 114.664 -1.153 . . . . 0.72999999999999998 112.314 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 37.8 t70 -128.18 137.62 52.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.147 -0.479 . . . . 1.21 109.941 173.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 57.8 t30 -83.64 87.53 7.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.463 0.649 . . . . 2.5800000000000001 110.99 -176.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1133 ' ' ASP . . . . . 0.504 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.0 OUTLIER -95.7 -27.77 15.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.24 -0.891 . . . . 1.28 110.269 179.128 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1134 ' ' CYS . . . . . 0.676 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 8.3 m -72.8 -14.34 61.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.05 -0.523 . . . . 1.5700000000000001 111.608 175.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 78.41 -49.31 3.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.63 -0.795 . . . . 1.6799999999999999 111.628 -176.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 24.6 t70 -82.13 -13.47 57.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.311 0.577 . . . . 2.8500000000000001 110.385 176.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 76.26 16.55 80.62 Favored Glycine 0 C--N 1.33 0.2 0 CA-C-N 115.82 -0.627 . . . . 0.62 111.98 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1138 ' ' SER . . . . . 0.544 ' O ' ' HG2' ' A' 1141 ' ' LYS . 20.1 p -69.08 -16.93 63.8 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.367 0.506 . . . . 0.44 112.367 -173.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1139 ' ' ASP . . . . . 0.676 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 5.9 p-10 -81.45 -29.62 33.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.265 0.555 . . . . 0.33000000000000002 109.91 178.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1140 ' ' GLU . . . . . 0.498 ' OE1' ' HA ' ' A' 1128 ' ' CYS . 63.6 mm-40 -86.31 -30.05 22.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.719 -0.673 . . . . 0.44 109.947 -178.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1141 ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' 1138 ' ' SER . 20.8 pttp -61.6 -38.5 87.79 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.824 -0.625 . . . . 1.55 111.682 -174.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1142 ' ' ASN . . . . . 0.488 HD22 ' C ' ' A' 1142 ' ' ASN . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 121.069 0.461 . . . . 2.0499999999999998 111.417 -174.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 57.2 m . . . . . 0 C--O 1.235 0.304 0 CA-C-O 120.981 0.42 . . . . 0.71999999999999997 111.866 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 5.6 tp -50.05 158.9 0.48 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.645 0.778 . . . . 0.52000000000000002 111.696 -179.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 15.0 t70 -69.31 -22.29 63.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.075 0.464 . . . . 2.3199999999999998 110.444 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 12.7 p -101.71 3.22 39.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.027 -0.533 . . . . 0.52000000000000002 110.807 173.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -106.36 163.21 13.02 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.478 0.656 . . . . 1.02 111.11 176.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 70.1 t80 -116.96 149.22 40.57 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.061 -0.972 . . . . 0.40999999999999998 109.593 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 11.6 m -105.42 103.23 12.72 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.937 -0.574 . . . . 0.31 110.074 -177.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1116 ' ' CYS . . . . . 0.5 ' HB2' ' HB3' ' A' 1120 ' ' GLN . 38.0 m -72.31 174.88 6.69 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.582 -0.735 . . . . 0.65000000000000002 111.485 -176.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -56.83 -45.85 82.07 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.077 0.399 . . . . 2.6200000000000001 112.077 -174.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -88.18 25.39 1.62 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.131 0.491 . . . . 2.75 110.224 -177.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 34.2 m80 61.35 39.96 14.75 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.763 -0.653 . . . . 1.05 111.07 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1120 ' ' GLN . . . . . 0.5 ' HB3' ' HB2' ' A' 1116 ' ' CYS . 60.2 tt0 -92.4 137.84 32.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.827 -0.624 . . . . 1.9099999999999999 109.466 175.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 71.4 m -101.36 103.48 14.43 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.914 0.388 . . . . 0.41999999999999998 111.212 -177.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 45.1 pt -105.54 173.03 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.221 -0.659 . . . . 0.19 109.221 173.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 29.0 t -75.66 145.04 41.32 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.704 -0.48 . . . . 0.33000000000000002 109.704 174.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 87.3 mttt -64.01 -18.27 64.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.758 0.313 . . . . 1.24 110.549 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -78.14 -12.81 60.02 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.261 -0.427 . . . . 1.75 110.46 177.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1126 ' ' TRP . . . . . 0.425 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 47.1 m0 -93.55 -9.96 36.45 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 116.204 -0.453 . . . . 0.57999999999999996 110.479 178.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 59.9 t -74.21 126.29 34.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 116.48 -0.327 . . . . 0.23999999999999999 110.951 -178.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 11.2 t 58.86 55.36 4.61 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 122.371 1.081 . . . . 0.57999999999999996 109.683 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -122.62 15.21 10.26 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.743 -1.117 . . . . 0.46000000000000002 109.866 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 69.9 p 58.89 30.5 20.23 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.218 1.007 . . . . 0.72999999999999998 111.869 -178.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 35.6 t70 -129.08 135.65 49.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.845 -0.616 . . . . 1.21 109.606 174.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 7.8 t30 -84.71 82.42 8.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.299 0.571 . . . . 2.5800000000000001 110.746 -175.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1133 ' ' ASP . . . . . 0.425 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.0 OUTLIER -98.04 -30.91 12.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.725 -0.67 . . . . 1.28 111.058 -178.448 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1134 ' ' CYS . . . . . 0.752 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 10.4 m -77.83 13.02 1.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.596 0.591 . . . . 1.5700000000000001 112.596 178.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 77.2 -66.38 2.9 Favored Glycine 0 CA--C 1.517 0.174 0 C-N-CA 120.913 -0.661 . . . . 1.6799999999999999 112.626 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 16.1 t70 -85.2 -21.8 28.99 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.286 0.565 . . . . 2.8500000000000001 110.465 176.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 94.5 28.01 11.0 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.681 -0.771 . . . . 0.62 111.605 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1138 ' ' SER . . . . . . . . . . . . . 1.6 p -71.35 -0.75 10.86 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.836 0.31 . . . . 0.44 111.836 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1139 ' ' ASP . . . . . 0.752 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 4.3 p-10 -98.18 -21.09 16.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.445 0.641 . . . . 0.33000000000000002 109.677 174.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -97.87 -23.35 15.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.55 -0.75 . . . . 0.44 110.241 -178.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1141 ' ' LYS . . . . . . . . . . . . . 53.7 pttt -62.96 -22.47 66.83 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.494 0.664 . . . . 1.55 110.687 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 17.0 p-10 . . . . . 0 C--N 1.319 -0.721 0 CA-C-N 115.174 -0.921 . . . . 2.0499999999999998 109.789 178.838 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1109 ' ' CYS . . . . . 0.531 ' N ' ' HG1' ' A' 1115 ' ' THR . 60.9 m . . . . . 0 C--O 1.236 0.374 0 CA-C-O 121.002 0.43 . . . . 0.71999999999999997 111.644 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 7.2 tp -51.7 157.88 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.442 -0.799 . . . . 0.52000000000000002 111.304 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -65.9 -26.54 67.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.926 0.393 . . . . 2.3199999999999998 110.691 178.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 12.5 p -98.97 -1.32 40.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.289 0.566 . . . . 0.52000000000000002 110.657 175.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -100.49 162.11 13.15 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.493 0.663 . . . . 1.02 111.069 177.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 86.2 t80 -108.78 149.72 28.64 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 114.901 -1.045 . . . . 0.40999999999999998 108.998 175.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1115 ' ' THR . . . . . 0.531 ' HG1' ' N ' ' A' 1109 ' ' CYS . 6.3 m -109.42 102.53 11.41 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.884 -0.598 . . . . 0.31 109.53 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 35.7 m -67.53 168.78 10.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.848 -0.615 . . . . 0.65000000000000002 110.968 -177.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.22 -37.45 83.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.18 0.515 . . . . 2.6200000000000001 110.396 -179.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -85.2 14.67 4.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.814 -0.63 . . . . 2.75 110.609 178.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 43.2 m80 66.73 26.73 9.48 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.677 -0.692 . . . . 1.05 111.99 175.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -78.85 141.53 37.62 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.472 -0.566 . . . . 1.9099999999999999 109.472 173.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 73.1 m -105.94 102.17 11.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.945 0.403 . . . . 0.41999999999999998 111.199 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 50.6 pt -112.31 178.72 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.129 -0.487 . . . . 0.19 109.906 176.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 28.0 t -75.47 146.32 40.74 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.096 -0.335 . . . . 0.33000000000000002 110.096 175.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 65.0 mttm -66.64 -23.87 66.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.441 -0.345 . . . . 1.24 110.621 175.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 13.6 m120 -71.86 -18.22 62.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 1.75 110.681 178.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 45.1 m0 -87.57 -12.33 46.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.078 -0.51 . . . . 0.57999999999999996 110.831 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 59.6 t -68.7 117.47 11.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.399 -0.364 . . . . 0.23999999999999999 110.9 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1128 ' ' CYS . . . . . 0.454 ' HA ' ' OE1' ' A' 1140 ' ' GLU . 49.6 t 61.3 50.19 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.5 -0.773 . . . . 0.57999999999999996 110.515 178.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -108.34 24.22 13.35 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.617 -0.72 . . . . 0.46000000000000002 109.224 177.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 39.9 p 54.92 34.86 23.14 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.606 -1.179 . . . . 0.72999999999999998 112.064 -179.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 13.5 t70 -146.19 129.83 17.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.855 -0.611 . . . . 1.21 109.717 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 26.9 t30 -71.25 117.45 12.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.708 0.29 . . . . 2.5800000000000001 111.576 -175.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -119.15 -26.18 5.99 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.898 0.333 . . . . 1.28 111.898 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1134 ' ' CYS . . . . . 0.644 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 84.0 m -87.25 16.86 4.78 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.16 0.429 . . . . 1.5700000000000001 112.16 -177.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 80.84 -64.37 4.12 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.56 -0.828 . . . . 1.6799999999999999 111.834 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -79.18 -38.45 35.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.215 0.531 . . . . 2.8500000000000001 110.232 174.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 112.07 27.87 3.82 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.638 -0.71 . . . . 0.62 112.792 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1138 ' ' SER . . . . . 0.429 ' HA ' ' HG2' ' A' 1141 ' ' LYS . 76.8 p -65.24 -22.29 66.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.739 0.304 . . . . 0.44 111.561 -177.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1139 ' ' ASP . . . . . 0.644 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 8.2 p-10 -75.1 -24.92 58.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.127 0.489 . . . . 0.33000000000000002 110.354 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1140 ' ' GLU . . . . . 0.454 ' OE1' ' HA ' ' A' 1128 ' ' CYS . 80.7 mm-40 -90.53 -26.36 19.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.954 -0.566 . . . . 0.44 110.209 177.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1141 ' ' LYS . . . . . 0.429 ' HG2' ' HA ' ' A' 1138 ' ' SER . 15.4 pttp -78.47 -38.44 41.03 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.423 -0.353 . . . . 1.55 110.369 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 63.4 t30 . . . . . 0 C--N 1.33 -0.24 0 CA-C-O 121.727 0.775 . . . . 2.0499999999999998 109.654 -179.048 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.71999999999999997 110.785 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1110 ' ' LEU . . . . . 0.632 ' HB2' HE21 ' A' 1113 ' ' GLN . 8.8 tp -67.33 167.06 13.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.928 -0.578 . . . . 0.52000000000000002 110.575 -179.116 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -69.22 -38.85 78.75 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.668 -0.493 . . . . 2.3199999999999998 109.668 176.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 10.4 p -86.02 -4.49 59.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.877 -0.602 . . . . 0.52000000000000002 111.359 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1113 ' ' GLN . . . . . 0.632 HE21 ' HB2' ' A' 1110 ' ' LEU . 24.4 mt-30 -92.62 158.02 16.18 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.549 0.69 . . . . 1.02 111.325 177.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 74.0 t80 -110.07 148.66 31.3 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.817 -1.083 . . . . 0.40999999999999998 109.616 178.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 7.2 m -104.18 113.34 26.82 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.65 -0.705 . . . . 0.31 110.195 -178.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1116 ' ' CYS . . . . . 0.549 ' SG ' ' HB3' ' A' 1120 ' ' GLN . 88.2 m -59.84 152.12 23.98 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.875 -0.602 . . . . 0.65000000000000002 110.541 174.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 36.4 t70 -66.82 -15.13 63.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.392 0.615 . . . . 2.6200000000000001 110.197 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -100.42 16.55 24.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.559 -0.746 . . . . 2.75 110.189 176.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 41.7 m170 61.13 77.53 0.32 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.221 -0.9 . . . . 1.05 111.35 -178.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1120 ' ' GLN . . . . . 0.549 ' HB3' ' SG ' ' A' 1116 ' ' CYS . 52.5 tt0 -145.18 144.2 30.73 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.109 -0.7 . . . . 1.9099999999999999 109.109 176.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 66.8 m -100.72 109.12 21.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.046 0.45 . . . . 0.41999999999999998 111.598 -175.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 40.5 pt -119.74 -179.13 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.081 -0.711 . . . . 0.19 109.081 172.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 36.5 t -84.94 144.02 28.61 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.881 -0.328 . . . . 0.33000000000000002 110.346 177.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 66.5 mttm -65.24 -19.79 66.13 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.069 0.462 . . . . 1.24 110.594 176.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -79.35 -7.03 58.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.956 -0.565 . . . . 1.75 110.558 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 52.9 m0 -101.0 -7.62 23.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.926 -0.579 . . . . 0.57999999999999996 110.561 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 92.2 t -67.39 117.56 9.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.965 -0.561 . . . . 0.23999999999999999 111.317 -178.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 37.6 t 66.33 44.07 2.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.575 -0.739 . . . . 0.57999999999999996 111.013 176.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -106.78 21.52 17.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.63 -0.714 . . . . 0.46000000000000002 109.65 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 68.6 p 58.44 33.65 23.3 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.3 1.04 . . . . 0.72999999999999998 111.875 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 12.3 t70 -141.62 138.43 32.56 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.128 -0.487 . . . . 1.21 110.473 175.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -86.95 73.14 9.98 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.871 0.367 . . . . 2.5800000000000001 110.827 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -62.39 -21.49 65.4 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.406 0.622 . . . . 1.28 110.838 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1134 ' ' CYS . . . . . . . . . . . . . 14.1 t -100.31 6.28 44.58 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.346 -0.843 . . . . 1.5700000000000001 110.963 -173.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 74.14 -73.25 1.32 Allowed Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 110.102 -1.199 . . . . 1.6799999999999999 110.102 -170.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 22.6 t0 -90.95 88.59 7.09 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.854 -1.165 . . . . 2.8500000000000001 107.854 167.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -68.29 80.09 0.21 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.378 -0.828 . . . . 0.62 114.245 -171.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1138 ' ' SER . . . . . . . . . . . . . 57.0 p -68.05 -18.58 64.72 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.271 -0.64 . . . . 0.44 109.271 171.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -72.59 -21.37 61.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.308 -0.86 . . . . 0.33000000000000002 110.294 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -92.17 -35.27 13.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.009 -0.541 . . . . 0.44 109.918 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1141 ' ' LYS . . . . . . . . . . . . . 13.7 pttp -72.17 -29.55 64.13 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.974 -0.557 . . . . 1.55 110.502 -178.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 26.7 t-20 . . . . . 0 C--N 1.324 -0.538 0 CA-C-O 121.673 0.749 . . . . 2.0499999999999998 109.306 178.442 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 86.4 m . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.646 0.26 . . . . 0.71999999999999997 110.591 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1110 ' ' LEU . . . . . 0.412 ' HB3' ' HG3' ' A' 1113 ' ' GLN . 11.6 tp -63.74 168.9 4.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.832 0.349 . . . . 0.52000000000000002 111.583 -177.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -61.58 -43.98 97.86 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.123 -0.49 . . . . 2.3199999999999998 110.023 175.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1112 ' ' THR . . . . . . . . . . . . . 23.7 p -100.41 14.84 29.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.52000000000000002 111.794 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1113 ' ' GLN . . . . . 0.412 ' HG3' ' HB3' ' A' 1110 ' ' LEU . 73.0 mt-30 -100.04 161.37 13.65 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.598 0.713 . . . . 1.02 111.704 174.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 80.0 t80 -110.99 150.06 29.81 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.588 -1.187 . . . . 0.40999999999999998 109.099 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1115 ' ' THR . . . . . . . . . . . . . 17.0 m -104.13 112.15 25.04 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.165 -0.47 . . . . 0.31 109.853 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1116 ' ' CYS . . . . . 0.458 ' HB2' ' HB3' ' A' 1120 ' ' GLN . 80.7 m -73.35 -179.63 3.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.022 -0.536 . . . . 0.65000000000000002 112.107 -177.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -60.31 -38.98 85.38 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.969 -0.559 . . . . 2.6200000000000001 111.801 -175.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -103.44 33.1 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.665 0.246 . . . . 2.75 111.665 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 50.1 m80 63.93 28.31 14.48 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.182 -0.463 . . . . 1.05 111.981 177.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1120 ' ' GLN . . . . . 0.458 ' HB3' ' HB2' ' A' 1116 ' ' CYS . 6.5 tp-100 -82.32 137.1 34.89 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.126 -0.694 . . . . 1.9099999999999999 109.126 174.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 73.0 m -99.09 108.88 21.63 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.162 0.506 . . . . 0.41999999999999998 111.258 -177.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 41.1 pt -113.58 170.23 4.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.097 -0.705 . . . . 0.19 109.097 174.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1123 ' ' SER . . . . . . . . . . . . . 32.0 t -79.15 144.63 34.3 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 110.146 -0.316 . . . . 0.33000000000000002 110.146 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 60.6 mttm -64.15 -16.61 62.23 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.205 -0.452 . . . . 1.24 110.742 176.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -73.68 -19.71 60.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.099 0.476 . . . . 1.75 110.173 177.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 44.5 m0 -88.19 -13.07 42.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.945 -0.57 . . . . 0.57999999999999996 110.417 -178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 98.9 t -67.26 120.17 14.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.845 -0.616 . . . . 0.23999999999999999 110.401 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1128 ' ' CYS . . . . . 0.458 ' HA ' ' OE1' ' A' 1140 ' ' GLU . 53.7 t 62.49 57.07 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.792 0.806 . . . . 0.57999999999999996 110.44 -178.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -118.99 17.56 13.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.274 -0.875 . . . . 0.46000000000000002 109.392 175.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1130 ' ' THR . . . . . . . . . . . . . 70.0 p 58.0 41.59 24.04 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 114.937 -1.029 . . . . 0.72999999999999998 111.66 -178.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 12.9 t70 -146.46 140.32 26.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.594 -0.73 . . . . 1.21 109.714 173.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -84.1 81.27 8.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.083 0.468 . . . . 2.5800000000000001 111.09 -176.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -76.99 -35.29 57.28 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.065 -0.717 . . . . 1.28 109.065 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1134 ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 81.6 m -92.82 162.85 13.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.081 -0.963 . . . . 1.5700000000000001 109.797 174.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -62.28 119.21 16.91 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.796 -0.716 . . . . 1.6799999999999999 111.58 177.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 36.6 t70 70.41 0.06 3.07 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.362 0.665 . . . . 2.8500000000000001 111.013 -177.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 79.21 50.67 5.68 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 121.016 -0.611 . . . . 0.62 112.79 176.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1138 ' ' SER . . . . . 0.488 ' O ' ' HG2' ' A' 1141 ' ' LYS . 71.3 p -64.99 -20.93 66.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.003 0.43 . . . . 0.44 110.359 177.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1139 ' ' ASP . . . . . 0.433 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 7.0 p-10 -78.24 -19.79 53.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.33000000000000002 110.639 177.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1140 ' ' GLU . . . . . 0.458 ' OE1' ' HA ' ' A' 1128 ' ' CYS . 74.3 mm-40 -94.73 -31.88 13.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.944 0.402 . . . . 0.44 110.439 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1141 ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' 1138 ' ' SER . 19.7 pttp -60.45 -28.44 68.3 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.972 -0.558 . . . . 1.55 112.117 -172.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 10.2 p30 . . . . . 0 C--N 1.325 -0.493 0 CA-C-O 121.142 0.496 . . . . 2.0499999999999998 110.775 -178.033 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 25.7 m . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 120.871 0.367 . . . . 12.26 110.487 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 63.8 m80 -85.83 146.52 26.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.179 -0.464 . . . . 11.34 110.352 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -95.16 119.77 65.19 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.433 -0.349 . . . . 8.3000000000000007 110.263 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -72.33 123.66 9.33 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.531 2.154 . . . . 6.0899999999999999 111.672 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -78.34 167.77 20.83 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.296 -0.411 . . . . 4.7300000000000004 110.636 -178.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 5.6 p -66.26 157.32 31.84 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.452 -0.34 . . . . 2.9700000000000002 110.68 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 73.9 m 61.73 -163.93 0.25 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.332 -0.395 . . . . 0.71999999999999997 111.174 -175.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1110 ' ' LEU . . . . . 0.412 ' H ' ' HB2' ' A' 1113 ' ' GLN . 9.9 tp -72.87 168.25 19.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.278 -0.419 . . . . 0.52000000000000002 110.652 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.91 -41.67 95.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.431 0.634 . . . . 2.3199999999999998 109.97 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 6.3 p -90.16 -0.18 57.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.521 -0.763 . . . . 0.52000000000000002 111.585 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1113 ' ' GLN . . . . . 0.449 ' O ' ' HE3' ' A' 1124 ' ' LYS . 76.7 mt-30 -97.59 153.01 18.46 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 121.722 0.773 . . . . 1.02 111.742 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 79.4 t80 -103.07 148.66 25.45 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.381 -1.281 . . . . 0.40999999999999998 108.885 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 5.1 m -106.94 103.01 12.33 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 116.007 -0.542 . . . . 0.31 109.589 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1116 ' ' CYS . . . . . 0.43 ' HB3' ' OG ' ' A' 1138 ' ' SER . 32.3 m -65.79 169.92 5.92 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.622 -0.717 . . . . 0.65000000000000002 111.102 -178.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 28.9 t70 -65.39 -30.84 71.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.324 0.583 . . . . 2.6200000000000001 109.673 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -81.28 8.88 8.0 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.27 -0.877 . . . . 2.75 110.497 177.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 51.4 m80 68.39 20.05 8.71 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.763 -0.653 . . . . 1.05 111.707 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -78.82 146.28 33.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.177 -0.465 . . . . 1.9099999999999999 110.139 177.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 85.3 m -107.86 99.93 9.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.932 0.396 . . . . 0.41999999999999998 110.533 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 46.8 pt -113.13 174.63 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.271 -0.422 . . . . 0.19 110.297 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 23.4 t -71.59 141.55 50.01 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.937 0.399 . . . . 0.33000000000000002 110.377 174.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1124 ' ' LYS . . . . . 0.449 ' HE3' ' O ' ' A' 1113 ' ' GLN . 97.9 mttt -67.51 -13.69 62.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 1.24 110.936 176.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 17.4 m120 -83.01 -9.95 59.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.96 0.41 . . . . 1.75 110.63 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 48.7 m0 -93.56 -14.32 26.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.144 -0.48 . . . . 0.57999999999999996 110.468 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 69.6 t -65.76 119.17 10.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.969 -0.559 . . . . 0.23999999999999999 111.052 -177.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1128 ' ' CYS . . . . . 0.452 ' HB2' ' HB2' ' A' 1143 ' ' CYS . 49.2 t 62.19 51.63 3.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.606 -0.725 . . . . 0.57999999999999996 110.577 178.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -110.99 25.51 11.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.665 -0.698 . . . . 0.46000000000000002 109.703 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 64.8 p 60.7 24.55 14.37 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.64 1.176 . . . . 0.72999999999999998 112.515 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 26.7 t70 -147.6 119.12 7.93 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.763 -0.458 . . . . 1.21 109.763 173.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -64.99 120.59 12.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.103 0.477 . . . . 2.5800000000000001 111.066 -177.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -102.2 -30.03 11.36 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.147 0.499 . . . . 1.28 110.515 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1134 ' ' CYS . . . . . 0.546 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 21.0 m -81.77 0.78 37.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.78 -0.645 . . . . 1.5700000000000001 111.045 -178.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 82.48 -58.13 4.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.957 -0.64 . . . . 1.6799999999999999 111.664 -176.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -73.5 -16.34 61.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.354 0.597 . . . . 2.8500000000000001 110.094 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 80.89 23.11 60.18 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.44 -0.8 . . . . 0.62 112.465 176.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1138 ' ' SER . . . . . 0.477 ' O ' ' HG2' ' A' 1141 ' ' LYS . 4.9 p -66.31 -26.01 67.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.72 0.295 . . . . 0.44 111.402 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1139 ' ' ASP . . . . . 0.546 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 6.0 p-10 -72.46 -22.28 61.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.187 0.518 . . . . 0.33000000000000002 110.175 176.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -92.02 -30.56 15.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.136 -0.483 . . . . 0.44 110.373 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1141 ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' 1138 ' ' SER . 17.3 pttp -71.42 -30.18 65.76 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.991 0.424 . . . . 1.55 110.544 -178.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 39.9 t30 -88.45 75.93 8.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.392 0.615 . . . . 2.0499999999999998 109.441 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1143 ' ' CYS . . . . . 0.452 ' HB2' ' HB2' ' A' 1128 ' ' CYS . 49.1 t -169.76 147.09 3.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.374 -0.83 . . . . 1.6699999999999999 109.237 -176.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -117.08 85.74 2.38 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.634 0.731 . . . . 4.5899999999999999 111.541 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 2.8 p -150.6 147.67 27.7 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.894 -0.594 . . . . 5.4000000000000004 110.296 175.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 20.5 p -91.52 45.61 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.924 0.392 . . . . 8.1500000000000004 111.389 -178.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -13.82 60.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.12 0.486 . . . . 9.8699999999999992 110.633 -178.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 CA--C 1.533 0.327 0 CA-C-N 114.933 -1.03 . . . . 11.119999999999999 110.789 -178.416 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 19.0 p . . . . . 0 N--CA 1.476 0.856 0 CA-C-O 120.411 0.148 . . . . 12.26 110.65 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 48.9 t-80 64.15 76.7 0.34 Allowed 'General case' 0 N--CA 1.462 0.166 0 O-C-N 123.667 0.605 . . . . 11.34 110.795 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -64.44 133.2 95.6 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.916 -0.584 . . . . 8.3000000000000007 110.013 176.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -61.58 120.66 8.41 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.561 2.174 . . . . 6.0899999999999999 112.065 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -89.41 53.77 2.72 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.681 -0.69 . . . . 4.7300000000000004 110.413 -177.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 4.8 p -79.0 147.48 32.87 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.764 -0.653 . . . . 2.9700000000000002 110.633 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 63.7 m 60.55 -168.48 0.17 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.008 -0.542 . . . . 0.71999999999999997 110.973 -176.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.0 tp -69.76 164.24 23.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.346 -0.388 . . . . 0.52000000000000002 110.64 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 17.3 t70 -61.42 -41.96 97.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.011 0.434 . . . . 2.3199999999999998 110.388 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 22.9 p -94.84 8.18 43.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.127 -0.488 . . . . 0.52000000000000002 111.64 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -100.97 156.07 17.6 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.508 0.67 . . . . 1.02 111.704 175.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 74.1 t80 -101.21 149.13 24.31 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.754 -1.112 . . . . 0.40999999999999998 109.643 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 5.7 m -108.31 103.77 13.01 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.596 -0.729 . . . . 0.31 109.497 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 33.8 m -64.32 170.03 4.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.104 -0.498 . . . . 0.65000000000000002 112.22 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 30.2 t70 -57.76 -44.35 86.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.226 0.536 . . . . 2.6200000000000001 109.994 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 57.7 t30 -83.82 19.26 1.74 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.611 0.72 . . . . 2.75 110.464 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 52.8 m80 62.61 24.05 14.31 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.464 -0.789 . . . . 1.05 112.609 174.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -78.91 122.19 25.81 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.721 -0.474 . . . . 1.9099999999999999 109.721 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 74.4 m -84.08 123.55 30.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.251 -0.432 . . . . 0.41999999999999998 110.744 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 44.6 pt -135.83 174.03 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.916 -0.583 . . . . 0.19 109.448 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 28.7 t -70.2 138.6 51.9 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 110.025 -0.361 . . . . 0.33000000000000002 110.025 175.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.61 -23.13 67.25 Favored 'General case' 0 N--CA 1.461 0.1 0 CA-C-O 121.075 0.464 . . . . 1.24 110.341 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -78.64 -8.69 58.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.879 -0.6 . . . . 1.75 110.097 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1126 ' ' TRP . . . . . 0.412 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 44.5 m0 -99.15 -2.73 36.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.801 -0.636 . . . . 0.57999999999999996 110.764 179.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 86.2 t -73.13 123.44 28.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 116.293 -0.412 . . . . 0.23999999999999999 110.934 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1128 ' ' CYS . . . . . 0.406 ' HB2' ' HB3' ' A' 1143 ' ' CYS . 4.6 t 62.72 49.26 3.85 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.493 -0.776 . . . . 0.57999999999999996 110.379 177.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -117.32 16.41 14.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.83 -0.623 . . . . 0.46000000000000002 110.581 -176.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 53.6 p 60.62 29.31 18.92 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.425 1.09 . . . . 0.72999999999999998 112.184 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 16.1 t70 -130.5 138.32 50.19 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 109.83 -0.433 . . . . 1.21 109.83 171.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -84.48 48.54 1.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.213 0.449 . . . . 2.5800000000000001 112.213 -178.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1133 ' ' ASP . . . . . 0.412 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.1 OUTLIER -51.46 -43.32 62.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.413 0.625 . . . . 1.28 110.128 169.027 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1134 ' ' CYS . . . . . . . . . . . . . 53.8 t -64.53 -14.95 59.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.773 -1.103 . . . . 1.5700000000000001 111.911 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 78.36 -65.34 3.38 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.957 -0.639 . . . . 1.6799999999999999 112.063 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -77.62 -16.29 58.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.359 0.599 . . . . 2.8500000000000001 110.171 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 76.3 27.34 61.94 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.294 -0.866 . . . . 0.62 113.575 174.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1138 ' ' SER . . . . . . . . . . . . . 51.0 p -74.57 -19.83 60.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.236 0.518 . . . . 0.44 110.874 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -72.13 -28.7 63.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.377 0.608 . . . . 0.33000000000000002 109.535 177.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -86.41 -17.83 33.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.392 -0.822 . . . . 0.44 110.626 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1141 ' ' LYS . . . . . . . . . . . . . 15.9 pttp -93.73 -30.3 14.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.039 0.447 . . . . 1.55 110.808 -176.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 5.7 t30 -114.26 74.16 0.86 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.029 -0.532 . . . . 2.0499999999999998 110.106 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1143 ' ' CYS . . . . . 0.406 ' HB3' ' HB2' ' A' 1128 ' ' CYS . 26.8 p -141.79 -63.79 0.44 Allowed 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.862 -0.608 . . . . 1.6699999999999999 110.384 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -157.35 15.98 0.26 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.662 0.744 . . . . 4.5899999999999999 109.242 172.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 7.4 p -105.79 154.3 20.7 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.02 -0.991 . . . . 5.4000000000000004 111.169 -173.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.59 92.41 8.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.049 0.452 . . . . 8.1500000000000004 110.339 175.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -66.62 -36.6 82.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.835 -0.62 . . . . 9.8699999999999992 110.292 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 47.5 m . . . . . 0 CA--C 1.532 0.285 0 O-C-N 123.812 0.695 . . . . 11.119999999999999 112.006 -178.362 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 31.6 m . . . . . 0 N--CA 1.476 0.826 0 CA-C-O 120.862 0.363 . . . . 12.26 110.519 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 42.4 m80 -84.0 -15.28 48.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 11.34 110.954 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -80.99 119.6 76.46 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.325 -0.398 . . . . 8.3000000000000007 110.327 177.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -81.43 147.7 16.02 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.525 2.15 . . . . 6.0899999999999999 112.032 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -88.94 59.45 5.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.045 0.45 . . . . 4.7300000000000004 110.886 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 8.2 p -88.03 140.48 29.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.157 -0.474 . . . . 2.9700000000000002 110.189 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 45.9 m -102.6 176.95 5.0 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.117 0.484 . . . . 0.71999999999999997 111.37 -175.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 5.6 tp -67.04 166.16 14.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.514 -0.766 . . . . 0.52000000000000002 110.329 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.64 -37.56 85.09 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.054 0.454 . . . . 2.3199999999999998 110.246 177.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 31.6 p -91.58 3.7 54.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.52000000000000002 111.264 177.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1113 ' ' GLN . . . . . 0.412 ' O ' ' HE3' ' A' 1124 ' ' LYS . 71.7 mt-30 -98.44 152.47 19.48 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-O 121.733 0.778 . . . . 1.02 111.83 177.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 77.5 t80 -101.52 149.42 24.1 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.317 -1.311 . . . . 0.40999999999999998 108.967 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 20.7 m -112.34 104.73 12.9 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 116.33 -0.395 . . . . 0.31 110.186 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 99.2 m -60.91 161.52 8.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.868 -0.606 . . . . 0.65000000000000002 111.115 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 26.1 t70 -55.56 -47.97 75.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.701 0.286 . . . . 2.6200000000000001 110.741 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -79.16 25.56 0.29 Allowed 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 111.974 0.361 . . . . 2.75 111.974 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 29.0 m80 58.66 63.56 1.65 Allowed 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.465 0.543 . . . . 1.05 112.465 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1120 ' ' GLN . . . . . 0.46 ' NE2' ' HA ' ' A' 1134 ' ' CYS . 45.0 tt0 -119.7 140.26 50.96 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.243 -0.651 . . . . 1.9099999999999999 109.243 174.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 66.9 m -106.34 111.06 23.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.172 0.51 . . . . 0.41999999999999998 111.376 -176.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1122 ' ' ILE . . . . . 0.464 HD13 ' HB2' ' A' 1134 ' ' CYS . 48.1 pt -123.72 179.54 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.618 -0.719 . . . . 0.19 109.242 175.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1123 ' ' SER . . . . . 0.43 ' HB3' ' CG ' ' A' 1126 ' ' TRP . 27.4 t -74.93 142.84 43.94 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.711 -0.396 . . . . 0.33000000000000002 110.014 175.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1124 ' ' LYS . . . . . 0.412 ' HE3' ' O ' ' A' 1113 ' ' GLN . 93.4 mttt -66.65 -18.41 65.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.914 0.388 . . . . 1.24 111.109 178.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 64.5 t30 -78.69 -14.4 59.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.338 0.589 . . . . 1.75 110.113 176.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1126 ' ' TRP . . . . . 0.603 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 44.9 m0 -89.99 -3.29 58.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.997 -0.547 . . . . 0.57999999999999996 111.096 -175.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 62.1 t -71.7 120.28 19.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.813 -0.63 . . . . 0.23999999999999999 110.748 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 42.5 t 59.93 50.31 6.93 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.508 0.671 . . . . 0.57999999999999996 110.166 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -113.77 11.49 18.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.871 -0.604 . . . . 0.46000000000000002 110.43 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 76.7 p 60.16 23.22 12.52 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.023 0.929 . . . . 0.72999999999999998 112.203 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -120.99 140.88 51.29 Favored 'General case' 0 C--O 1.244 0.795 0 N-CA-C 110.115 -0.328 . . . . 1.21 110.115 175.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -83.23 62.64 6.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.559 0.695 . . . . 2.5800000000000001 110.842 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1133 ' ' ASP . . . . . 0.603 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.1 OUTLIER -71.07 -58.6 3.4 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.405 -0.816 . . . . 1.28 108.971 170.629 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1134 ' ' CYS . . . . . 0.464 ' HB2' HD13 ' A' 1122 ' ' ILE . 44.8 t -80.81 120.3 24.49 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.242 -0.89 . . . . 1.5700000000000001 110.222 176.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -74.67 -21.33 78.82 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 111.375 -0.69 . . . . 1.6799999999999999 111.375 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1136 ' ' ASP . . . . . 0.443 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 14.4 t70 -75.3 -26.69 58.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.307 0.575 . . . . 2.8500000000000001 110.019 175.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 73.07 14.13 79.03 Favored Glycine 0 C--N 1.33 0.246 0 CA-C-N 115.435 -0.802 . . . . 0.62 113.634 172.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1138 ' ' SER . . . . . 0.412 ' O ' ' HG2' ' A' 1141 ' ' LYS . 5.3 p -79.48 -15.29 58.02 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.968 0.384 . . . . 0.44 111.007 -178.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1139 ' ' ASP . . . . . 0.416 ' OD1' ' HB3' ' A' 1134 ' ' CYS . 4.8 p-10 -73.52 -35.47 65.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.3 0.571 . . . . 0.33000000000000002 109.608 176.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -79.72 -30.25 40.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.803 -0.635 . . . . 0.44 110.069 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1141 ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' 1138 ' ' SER . 14.0 pttp -75.96 -29.36 58.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.023 0.44 . . . . 1.55 110.091 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -78.44 55.62 1.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.728 0.775 . . . . 2.0499999999999998 109.93 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 7.6 t -140.66 10.12 2.23 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.484 -0.78 . . . . 1.6699999999999999 109.681 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -92.14 5.75 49.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.551 -0.75 . . . . 4.5899999999999999 110.002 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 6.2 p -77.02 150.73 35.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.566 -0.743 . . . . 5.4000000000000004 110.521 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 19.1 p -88.63 34.6 0.76 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.086 0.469 . . . . 8.1500000000000004 111.721 -177.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -85.38 1.88 46.68 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.056 -0.52 . . . . 9.8699999999999992 110.223 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.235 0.333 0 CA-C-N 115.782 -0.645 . . . . 11.119999999999999 111.079 179.274 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 109.915 -0.402 . . . . 12.26 109.915 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 28.5 m170 -73.81 96.22 2.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.112 0.482 . . . . 11.34 110.964 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -85.94 127.23 63.01 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.502 -0.772 . . . . 8.3000000000000007 109.681 177.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -51.94 147.6 25.49 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.999 2.466 . . . . 6.0899999999999999 112.411 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -77.39 57.71 1.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.156 0.503 . . . . 4.7300000000000004 110.804 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 12.5 p -77.03 160.63 28.95 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.526 -0.761 . . . . 2.9700000000000002 110.583 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 79.6 m -106.12 -171.2 1.86 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.85 -0.614 . . . . 0.71999999999999997 110.781 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.2 tp -51.92 160.69 0.67 Allowed 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 123.449 0.7 . . . . 0.52000000000000002 111.939 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 26.4 t70 -60.02 -37.67 80.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.17 0.509 . . . . 2.3199999999999998 110.535 176.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 11.1 p -92.85 -0.86 57.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.947 -0.569 . . . . 0.52000000000000002 111.416 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -100.14 159.3 15.21 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 121.658 0.742 . . . . 1.02 111.957 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 76.0 t80 -105.93 147.6 28.6 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.565 -1.198 . . . . 0.40999999999999998 108.979 175.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 5.9 m -105.67 97.95 7.71 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 108.848 -0.797 . . . . 0.31 108.848 177.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 31.5 m -59.61 161.72 5.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.873 -0.603 . . . . 0.65000000000000002 111.022 -176.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 22.0 t70 -57.15 -28.01 62.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.375 0.607 . . . . 2.6200000000000001 110.638 178.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 4.3 m120 -89.85 18.2 5.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.444 -0.798 . . . . 2.75 110.996 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 33.6 m80 56.1 51.54 11.74 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.204 0.526 . . . . 1.05 110.747 -176.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -116.74 143.48 45.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.986 -0.552 . . . . 1.9099999999999999 109.55 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 72.1 m -101.94 108.35 19.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.968 0.413 . . . . 0.41999999999999998 111.504 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1122 ' ' ILE . . . . . 0.468 HD13 ' SG ' ' A' 1134 ' ' CYS . 42.9 pt -120.91 174.92 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.693 -0.685 . . . . 0.19 109.754 175.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 28.2 t -76.43 144.58 39.88 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.745 -0.465 . . . . 0.33000000000000002 109.745 174.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 94.9 mttt -65.23 -21.17 66.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.488 -0.323 . . . . 1.24 110.803 177.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 17.9 m120 -78.31 -10.99 59.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.033 0.444 . . . . 1.75 110.501 176.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1126 ' ' TRP . . . . . 0.502 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 43.8 m0 -91.38 -12.67 34.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.017 -0.538 . . . . 0.57999999999999996 110.097 178.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 59.1 t -71.09 122.32 22.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 116.226 -0.443 . . . . 0.23999999999999999 111.193 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 35.4 t 64.07 49.45 2.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.614 0.721 . . . . 0.57999999999999996 110.042 176.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -116.79 16.65 15.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.321 -0.854 . . . . 0.46000000000000002 110.321 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 82.0 p 59.87 28.49 17.99 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.621 1.169 . . . . 0.72999999999999998 112.418 -177.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -128.38 136.76 51.36 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.154 -0.475 . . . . 1.21 109.891 173.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -84.48 57.72 4.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.332 0.587 . . . . 2.5800000000000001 111.569 -176.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1133 ' ' ASP . . . . . 0.502 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.1 OUTLIER -62.95 -36.33 83.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.674 -0.694 . . . . 1.28 110.871 175.824 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1134 ' ' CYS . . . . . 0.652 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 94.7 m -75.29 4.84 6.4 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.698 0.258 . . . . 1.5700000000000001 111.698 175.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 78.76 -69.23 2.9 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.858 -0.687 . . . . 1.6799999999999999 111.758 -177.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 5.6 t70 -68.44 -24.82 64.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.568 0.699 . . . . 2.8500000000000001 110.399 174.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 80.32 32.64 34.27 Favored Glycine 0 N--CA 1.443 -0.889 0 N-CA-C 110.592 -1.003 . . . . 0.62 110.592 -173.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1138 ' ' SER . . . . . 0.464 ' HA ' ' HG2' ' A' 1141 ' ' LYS . 3.5 p -67.97 -24.58 65.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.87 0.367 . . . . 0.44 111.269 -178.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1139 ' ' ASP . . . . . 0.652 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 6.2 p-10 -67.15 -28.27 67.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.56 0.695 . . . . 0.33000000000000002 109.304 173.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -82.66 -38.6 23.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.068 -0.969 . . . . 0.44 110.277 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1141 ' ' LYS . . . . . 0.464 ' HG2' ' HA ' ' A' 1138 ' ' SER . 41.6 pttt -75.23 -27.29 59.46 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.968 -0.56 . . . . 1.55 110.542 -177.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -93.39 53.8 1.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.628 0.728 . . . . 2.0499999999999998 109.437 176.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 44.2 t -138.36 72.35 1.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.435 -0.802 . . . . 1.6699999999999999 110.224 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 9.5 p30 50.45 -175.87 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.562 1.145 . . . . 4.5899999999999999 113.279 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 88.1 p 53.43 -166.6 0.07 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.009 0.924 . . . . 5.4000000000000004 112.291 177.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 11.1 p -89.93 42.76 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.374 -0.376 . . . . 8.1500000000000004 111.266 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -72.12 -20.67 61.59 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 121.373 0.606 . . . . 9.8699999999999992 109.833 175.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.446 -0.643 0 CA-C-N 115.384 -0.826 . . . . 11.119999999999999 109.194 170.919 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 N--CA 1.478 0.925 0 N-CA-C 110.209 -0.293 . . . . 12.26 110.209 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -123.91 75.19 1.34 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.265 0.555 . . . . 11.34 109.833 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -100.54 129.95 26.68 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.718 -0.674 . . . . 8.3000000000000007 110.174 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.41 153.68 50.37 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.366 2.044 . . . . 6.0899999999999999 111.743 177.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -80.31 39.63 0.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.202 0.525 . . . . 4.7300000000000004 111.527 -176.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 13.4 p -86.19 124.09 32.2 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.92 -0.582 . . . . 2.9700000000000002 110.116 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 85.6 m -78.47 -177.2 5.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.186 -0.461 . . . . 0.71999999999999997 110.828 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1110 ' ' LEU . . . . . 0.411 ' HB3' ' HG3' ' A' 1113 ' ' GLN . 9.2 tp -58.66 162.94 3.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.162 -0.472 . . . . 0.52000000000000002 110.423 177.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.55 -47.98 83.78 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.549 -0.46 . . . . 2.3199999999999998 110.008 176.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 22.2 p -82.29 -3.2 54.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.821 -0.627 . . . . 0.52000000000000002 111.616 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1113 ' ' GLN . . . . . 0.411 ' HG3' ' HB3' ' A' 1110 ' ' LEU . 73.5 mt-30 -91.39 152.7 20.3 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.547 0.689 . . . . 1.02 111.6 177.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 87.3 t80 -101.92 148.01 25.84 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.577 -1.192 . . . . 0.40999999999999998 108.962 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 7.2 m -111.32 104.94 13.46 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 116.019 -0.537 . . . . 0.31 109.727 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1116 ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' 1120 ' ' GLN . 71.9 m -59.8 160.3 7.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.139 -0.482 . . . . 0.65000000000000002 111.415 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -56.4 -44.39 80.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.86 0.362 . . . . 2.6200000000000001 110.524 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -83.15 16.2 2.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 2.75 111.511 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 58.6 m80 66.72 83.79 0.16 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.287 0.635 . . . . 1.05 112.031 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1120 ' ' GLN . . . . . 0.468 ' HB3' ' SG ' ' A' 1116 ' ' CYS . 59.2 tp60 -142.6 131.28 22.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.493 -0.776 . . . . 1.9099999999999999 108.936 175.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 62.6 m -94.78 111.48 23.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.937 0.399 . . . . 0.41999999999999998 111.262 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1122 ' ' ILE . . . . . 0.417 HD13 ' HB2' ' A' 1134 ' ' CYS . 44.8 pt -124.27 -176.94 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.135 -0.691 . . . . 0.19 109.135 173.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 29.6 t -78.75 143.46 36.13 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.8 0.333 . . . . 0.33000000000000002 110.342 175.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 95.8 mttt -67.43 -16.04 64.01 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.885 0.374 . . . . 1.24 110.383 174.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 65.3 t30 -76.75 -17.5 59.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.411 0.624 . . . . 1.75 109.55 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 43.4 m0 -89.24 -7.8 54.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.547 -0.751 . . . . 0.57999999999999996 110.653 -178.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1127 ' ' VAL . . . . . 0.43 ' HA ' ' HB2' ' A' 1139 ' ' ASP . 90.2 t -70.67 111.4 4.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 116.047 -0.524 . . . . 0.23999999999999999 110.676 178.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 48.5 t 64.85 47.07 2.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.698 0.761 . . . . 0.57999999999999996 109.941 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -109.43 18.65 20.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.576 -0.738 . . . . 0.46000000000000002 110.481 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 68.5 p 52.9 42.15 32.02 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 123.669 0.788 . . . . 0.72999999999999998 111.352 -177.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 12.3 t70 -139.27 147.35 41.56 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 116.054 -0.521 . . . . 1.21 109.775 175.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -86.31 36.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.725 0.641 . . . . 2.5800000000000001 112.698 -171.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1133 ' ' ASP . . . . . 0.524 ' O ' ' HB3' ' A' 1134 ' ' CYS . 0.7 OUTLIER -62.7 169.54 3.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.597 -0.52 . . . . 1.28 109.597 169.122 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1134 ' ' CYS . . . . . 0.524 ' HB3' ' O ' ' A' 1133 ' ' ASP . 42.2 t 73.26 154.2 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.684 0.615 . . . . 1.5700000000000001 110.16 -176.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -95.49 30.4 8.34 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.548 -0.834 . . . . 1.6799999999999999 112.167 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 20.9 t70 -158.25 -47.15 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.8 0.333 . . . . 2.8500000000000001 111.273 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 104.83 11.12 31.12 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.723 -0.751 . . . . 0.62 112.003 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1138 ' ' SER . . . . . 0.442 ' O ' ' HG2' ' A' 1141 ' ' LYS . 63.4 p -64.96 -16.04 62.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.095 0.474 . . . . 0.44 110.979 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1139 ' ' ASP . . . . . 0.43 ' HB2' ' HA ' ' A' 1127 ' ' VAL . 7.6 p-10 -73.61 -34.83 65.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.763 -0.653 . . . . 0.33000000000000002 109.98 177.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -81.26 -29.36 34.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.899 -0.591 . . . . 0.44 110.096 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1141 ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' 1138 ' ' SER . 14.2 pttp -74.31 -31.69 62.57 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.078 -0.51 . . . . 1.55 110.884 -177.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 5.4 t30 -82.1 64.34 6.73 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.467 0.651 . . . . 2.0499999999999998 109.518 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 44.6 t -179.44 153.12 0.55 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.086 -0.961 . . . . 1.6699999999999999 109.234 -173.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 23.0 p30 -69.85 -20.66 63.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.01 -0.541 . . . . 4.5899999999999999 110.913 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 86.6 p 58.94 168.5 0.06 Allowed 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.516 1.126 . . . . 5.4000000000000004 112.284 177.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 21.1 p -90.34 65.14 6.17 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.812 -0.631 . . . . 8.1500000000000004 109.919 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -25.0 66.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.29 -0.868 . . . . 9.8699999999999992 112.321 -174.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 29.0 m . . . . . 0 C--N 1.325 -0.496 0 CA-C-O 120.989 0.423 . . . . 11.119999999999999 109.896 177.401 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 91.5 m . . . . . 0 N--CA 1.477 0.915 0 CA-C-O 120.778 0.323 . . . . 12.26 110.833 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -159.19 120.09 3.24 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.634 -0.506 . . . . 11.34 109.634 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -69.58 119.78 73.09 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.493 -0.321 . . . . 8.3000000000000007 111.159 -177.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -82.96 134.89 7.32 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.833 2.355 . . . . 6.0899999999999999 111.956 177.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -127.84 130.35 48.47 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.254 -0.43 . . . . 4.7300000000000004 110.334 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 13.1 p -85.19 37.33 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 122.152 0.977 . . . . 2.9700000000000002 110.503 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 64.2 m -134.29 -166.03 1.74 Allowed 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.176 -1.375 . . . . 0.71999999999999997 109.703 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 7.8 tp -54.44 158.1 2.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.784 -0.644 . . . . 0.52000000000000002 110.826 176.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.8 -25.9 68.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.282 -0.417 . . . . 2.3199999999999998 110.912 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 19.3 p -104.72 4.14 32.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.208 -0.451 . . . . 0.52000000000000002 111.036 177.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -100.84 155.33 17.99 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.384 0.611 . . . . 1.02 111.415 177.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 76.2 t80 -106.81 152.54 23.73 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.87 -1.059 . . . . 0.40999999999999998 109.147 177.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 20.4 m -115.38 99.07 7.11 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 116.118 -0.492 . . . . 0.31 109.893 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1116 ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 88.7 m -74.18 -175.38 2.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.761 -0.654 . . . . 0.65000000000000002 112.466 -177.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -53.88 -42.99 69.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.682 -0.69 . . . . 2.6200000000000001 111.674 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -85.74 18.45 2.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.679 -0.237 . . . . 2.75 111.158 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 32.6 m170 58.42 27.93 16.15 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.186 0.517 . . . . 1.05 109.813 -173.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -72.62 112.28 8.52 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.342 -0.844 . . . . 1.9099999999999999 109.298 -177.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 71.2 m -80.81 98.12 7.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.352 0.596 . . . . 0.41999999999999998 110.526 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1122 ' ' ILE . . . . . 0.532 HD13 ' SG ' ' A' 1134 ' ' CYS . 48.4 pt -112.57 175.84 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.312 -0.858 . . . . 0.19 109.192 176.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 16.5 t -74.52 146.21 42.85 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.493 -0.483 . . . . 0.33000000000000002 109.898 175.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.63 -13.68 59.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 1.24 110.271 174.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -85.1 -16.09 41.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.041 -0.527 . . . . 1.75 110.367 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1126 ' ' TRP . . . . . 0.589 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 44.2 m0 -89.5 -9.93 48.18 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 121.386 0.612 . . . . 0.57999999999999996 109.96 178.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 95.0 t -69.32 118.38 13.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.212 -0.904 . . . . 0.23999999999999999 109.958 175.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 41.4 t 65.42 48.21 2.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.784 -0.644 . . . . 0.57999999999999996 109.935 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -112.35 9.14 19.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.824 -0.626 . . . . 0.46000000000000002 110.112 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 56.2 p 55.37 25.19 7.33 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.189 0.996 . . . . 0.72999999999999998 112.574 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 23.3 t70 -128.98 140.0 51.84 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.29 -0.633 . . . . 1.21 109.29 173.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -77.24 102.24 6.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.45 0.643 . . . . 2.5800000000000001 111.728 -171.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1133 ' ' ASP . . . . . 0.589 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.2 OUTLIER -115.43 -21.64 9.71 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.204 -0.907 . . . . 1.28 109.778 174.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1134 ' ' CYS . . . . . 0.532 ' SG ' HD13 ' A' 1122 ' ' ILE . 96.4 m -120.75 141.33 50.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.083 -0.508 . . . . 1.5700000000000001 110.771 175.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -51.77 -64.8 3.63 Favored Glycine 0 C--N 1.335 0.512 0 N-CA-C 114.256 0.462 . . . . 1.6799999999999999 114.256 -172.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 13.5 t70 -66.25 -15.48 63.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.203 0.525 . . . . 2.8500000000000001 111.607 -177.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 71.16 32.15 65.86 Favored Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 109.938 -1.265 . . . . 0.62 109.938 -170.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1138 ' ' SER . . . . . 0.439 ' HA ' ' CD ' ' A' 1141 ' ' LYS . 8.6 p -68.46 -26.07 65.31 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.028 -0.586 . . . . 0.44 111.059 -176.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1139 ' ' ASP . . . . . 0.407 ' HB3' ' SG ' ' A' 1116 ' ' CYS . 8.9 p-10 -68.79 -33.82 74.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.819 -0.628 . . . . 0.33000000000000002 109.588 174.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -78.51 -39.86 36.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.783 -0.644 . . . . 0.44 110.181 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1141 ' ' LYS . . . . . 0.439 ' CD ' ' HA ' ' A' 1138 ' ' SER . 46.6 pttt -68.7 -25.96 65.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.047 -0.524 . . . . 1.55 110.778 -176.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 6.7 t30 -81.69 43.31 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 122.031 0.92 . . . . 2.0499999999999998 109.01 175.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 42.2 t -171.76 -54.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.029 -0.987 . . . . 1.6699999999999999 109.743 -176.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -114.28 96.81 5.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 4.5899999999999999 110.772 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 32.0 p -167.03 137.27 3.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.952 -0.567 . . . . 5.4000000000000004 110.215 177.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 23.0 p -89.11 47.89 1.55 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.286 0.565 . . . . 8.1500000000000004 110.821 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -13.6 62.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.736 -0.666 . . . . 9.8699999999999992 111.655 -177.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 C--N 1.327 -0.391 0 CA-C-O 121.252 0.549 . . . . 11.119999999999999 110.403 176.119 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 120.777 0.322 . . . . 12.26 110.637 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 50.2 t-80 64.22 84.54 0.15 Allowed 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 115.896 -0.593 . . . . 11.34 110.844 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -67.53 129.87 93.41 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.897 -0.592 . . . . 8.3000000000000007 110.418 179.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.7 125.06 16.77 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.625 2.217 . . . . 6.0899999999999999 111.952 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -86.3 153.66 21.81 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.855 -0.611 . . . . 4.7300000000000004 110.369 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 22.9 p -79.43 135.33 36.65 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.813 -0.44 . . . . 2.9700000000000002 109.813 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 95.4 m -67.99 178.17 1.91 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.791 -0.641 . . . . 0.71999999999999997 111.44 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 7.8 tp -48.01 151.26 0.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 123.21 0.604 . . . . 0.52000000000000002 111.296 -175.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 32.8 t70 -61.77 -27.06 68.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.175 0.512 . . . . 2.3199999999999998 110.312 177.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 6.8 p -99.03 5.0 47.29 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.792 -0.64 . . . . 0.52000000000000002 111.16 176.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1113 ' ' GLN . . . . . 0.426 ' HA ' ' O ' ' A' 1122 ' ' ILE . 65.0 mt-30 -99.09 146.65 25.87 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.746 0.784 . . . . 1.02 111.808 176.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1114 ' ' TYR . . . . . 0.554 ' O ' ' HA ' ' A' 1121 ' ' CYS . 77.7 t80 -107.04 144.41 33.73 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.503 -1.226 . . . . 0.40999999999999998 108.788 175.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 3.0 m -96.83 100.93 12.45 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 109.22 -0.659 . . . . 0.31 109.22 -178.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1116 ' ' CYS . . . . . 0.47 ' HB2' ' O ' ' A' 1120 ' ' GLN . 47.3 m -68.06 171.86 6.36 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.594 0.961 . . . . 0.65000000000000002 113.594 -172.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1117 ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' 1118 ' ' ASN . 2.0 p30 -49.83 -50.08 46.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.437 -1.256 . . . . 2.6200000000000001 111.474 172.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1118 ' ' ASN . . . . . 0.426 ' N ' ' OD1' ' A' 1117 ' ' ASP . 11.5 t-20 -76.41 8.24 3.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.813 -0.63 . . . . 2.75 111.198 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 56.5 m80 70.14 3.89 4.59 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.329 0.652 . . . . 1.05 111.255 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1120 ' ' GLN . . . . . 0.47 ' O ' ' HB2' ' A' 1116 ' ' CYS . 51.1 tp60 -72.93 137.17 45.38 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.484 -0.932 . . . . 1.9099999999999999 108.484 173.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1121 ' ' CYS . . . . . 0.554 ' HA ' ' O ' ' A' 1114 ' ' TYR . 88.1 m -105.6 119.09 38.24 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.715 0.769 . . . . 0.41999999999999998 111.376 -177.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1122 ' ' ILE . . . . . 0.445 ' HB ' ' CE3' ' A' 1126 ' ' TRP . 40.1 pt -109.79 173.74 2.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 114.496 -1.229 . . . . 0.19 109.44 -177.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 46.9 t -74.76 136.76 41.71 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.098 -0.705 . . . . 0.33000000000000002 109.098 174.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.31 -21.34 63.88 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.802 0.334 . . . . 1.24 110.752 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -63.91 -26.44 68.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.874 -0.603 . . . . 1.75 110.95 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1126 ' ' TRP . . . . . 0.445 ' CE3' ' HB ' ' A' 1122 ' ' ILE . 33.3 m0 -82.04 -18.83 41.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.063 0.459 . . . . 0.57999999999999996 110.383 -178.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 84.2 t -65.9 118.74 9.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.897 -0.592 . . . . 0.23999999999999999 110.748 -177.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1128 ' ' CYS . . . . . 0.441 ' HB2' ' HB2' ' A' 1143 ' ' CYS . 41.9 t 66.82 53.98 0.83 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.463 -0.79 . . . . 0.57999999999999996 110.335 178.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -117.48 27.08 9.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.426 -0.807 . . . . 0.46000000000000002 110.144 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 41.1 p 53.37 38.29 27.5 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.077 -0.965 . . . . 0.72999999999999998 112.026 -177.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -152.24 130.69 12.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.793 -0.64 . . . . 1.21 110.137 176.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1132 ' ' ASN . . . . . 0.509 HD22 ' HA3' ' A' 1137 ' ' GLY . 15.1 m120 -74.35 101.75 4.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.506 0.193 . . . . 2.5800000000000001 111.147 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -93.87 -37.99 11.45 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.867 0.365 . . . . 1.28 110.227 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1134 ' ' CYS . . . . . 0.675 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 61.5 m -72.33 -177.75 2.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.96 -0.564 . . . . 1.5700000000000001 110.763 177.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -71.88 -52.18 12.66 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.538 -0.839 . . . . 1.6799999999999999 111.886 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -92.99 -27.36 17.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.329 0.585 . . . . 2.8500000000000001 109.968 178.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . 0.509 ' HA3' HD22 ' A' 1132 ' ' ASN . . . 111.05 30.68 3.1 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.497 -0.774 . . . . 0.62 111.661 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1138 ' ' SER . . . . . 0.464 ' HA ' ' HG2' ' A' 1141 ' ' LYS . 92.0 p -62.79 -27.03 69.02 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.444 0.298 . . . . 0.44 111.584 -176.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1139 ' ' ASP . . . . . 0.675 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 5.0 p-10 -67.0 -26.83 66.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.294 0.569 . . . . 0.33000000000000002 110.384 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -87.66 -31.9 19.52 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.967 -0.561 . . . . 0.44 110.604 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1141 ' ' LYS . . . . . 0.464 ' HG2' ' HA ' ' A' 1138 ' ' SER . 16.5 pttp -75.06 -29.98 60.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.178 0.513 . . . . 1.55 110.187 -178.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 5.5 t30 -82.63 68.67 9.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.72 -0.673 . . . . 2.0499999999999998 109.693 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1143 ' ' CYS . . . . . 0.441 ' HB2' ' HB2' ' A' 1128 ' ' CYS . 48.8 t -170.23 114.56 0.48 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.971 -0.559 . . . . 1.6699999999999999 110.272 -176.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 8.9 p30 38.08 58.83 1.46 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.948 0.899 . . . . 4.5899999999999999 112.018 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 13.0 p -69.87 -81.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.601 -0.727 . . . . 5.4000000000000004 110.872 -177.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 25.7 p -92.14 79.13 5.15 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.104 0.478 . . . . 8.1500000000000004 111.064 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.07 -18.03 23.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.309 0.576 . . . . 9.8699999999999992 111.067 178.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 CA--C 1.532 0.264 0 CA-C-N 114.929 -1.032 . . . . 11.119999999999999 111.336 174.348 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 30.2 m . . . . . 0 N--CA 1.475 0.807 0 CA-C-O 120.73 0.3 . . . . 12.26 110.668 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 48.7 m80 -75.03 137.79 41.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.969 0.414 . . . . 11.34 110.534 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1105 ' ' ALA . . . . . 0.423 ' HA ' ' HD3' ' A' 1106 ' ' PRO . . . -100.13 135.38 20.37 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-N 115.786 -0.643 . . . . 8.3000000000000007 111.127 -177.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1106 ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' 1105 ' ' ALA . 39.2 Cg_exo -62.22 167.48 10.9 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.91 2.407 . . . . 6.0899999999999999 111.959 173.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -79.73 87.41 5.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.281 -0.418 . . . . 4.7300000000000004 110.674 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 13.0 p -86.17 96.63 9.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.196 -0.456 . . . . 2.9700000000000002 110.784 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 38.6 m -75.93 -173.15 2.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.179 -0.464 . . . . 0.71999999999999997 110.543 178.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 11.5 tp -60.94 162.03 7.49 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.453 -0.34 . . . . 0.52000000000000002 110.817 -178.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -62.19 -39.45 92.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.403 0.62 . . . . 2.3199999999999998 109.699 176.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 14.2 p -96.92 6.78 48.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.358 -0.837 . . . . 0.52000000000000002 111.544 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1113 ' ' GLN . . . . . 0.696 ' OE1' ' HB3' ' A' 1121 ' ' CYS . 53.0 mt-30 -99.99 160.71 14.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.127 0.489 . . . . 1.02 111.317 174.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1114 ' ' TYR . . . . . 0.424 ' O ' ' HA ' ' A' 1121 ' ' CYS . 66.9 t80 -113.81 154.4 27.49 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.41 -0.814 . . . . 0.40999999999999998 110.04 178.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 7.5 m -109.97 107.3 17.15 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.991 -0.549 . . . . 0.31 109.944 177.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 92.6 m -75.84 175.87 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.508 -0.315 . . . . 0.65000000000000002 111.529 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -62.9 -28.47 70.07 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.161 0.505 . . . . 2.6200000000000001 110.659 -178.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -82.62 9.43 9.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.868 -0.606 . . . . 2.75 110.39 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 67.1 m80 63.03 26.59 15.53 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.888 -0.596 . . . . 1.05 110.332 -176.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -85.97 130.63 34.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.325 -0.852 . . . . 1.9099999999999999 109.97 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1121 ' ' CYS . . . . . 0.696 ' HB3' ' OE1' ' A' 1113 ' ' GLN . 61.6 m -94.76 102.18 14.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.988 0.423 . . . . 0.41999999999999998 110.992 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 45.5 pt -110.74 173.92 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.105 -0.498 . . . . 0.19 110.231 176.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 10.5 t -72.08 141.31 49.23 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 110.056 -0.35 . . . . 0.33000000000000002 110.056 175.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1124 ' ' LYS . . . . . 0.48 ' HE3' ' O ' ' A' 1113 ' ' GLN . 92.2 mttt -65.57 -16.32 63.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.759 0.314 . . . . 1.24 110.602 176.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -77.12 -22.22 53.0 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.184 0.516 . . . . 1.75 109.816 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1126 ' ' TRP . . . . . 0.52 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 50.5 m0 -86.47 -10.31 54.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.859 -0.609 . . . . 0.57999999999999996 110.469 -178.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1127 ' ' VAL . . . . . 0.415 ' HA ' ' OD2' ' A' 1139 ' ' ASP . 93.9 t -69.84 121.69 19.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.856 -0.611 . . . . 0.23999999999999999 110.685 178.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 28.1 t 64.42 49.6 2.44 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.601 0.715 . . . . 0.57999999999999996 110.207 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -114.32 14.66 18.05 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.576 -0.738 . . . . 0.46000000000000002 110.318 -178.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 72.8 p 57.41 29.84 17.61 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.961 0.905 . . . . 0.72999999999999998 112.133 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 14.5 t70 -133.46 140.79 47.48 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 116.244 -0.434 . . . . 1.21 109.974 174.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 10.0 m120 -84.41 67.87 10.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.334 0.588 . . . . 2.5800000000000001 111.533 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1133 ' ' ASP . . . . . 0.52 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.0 OUTLIER -62.95 -45.6 91.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.342 -0.845 . . . . 1.28 108.892 169.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1134 ' ' CYS . . . . . . . . . . . . . 70.1 m -94.89 136.54 35.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.635 -0.711 . . . . 1.5700000000000001 109.67 169.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -52.28 -54.7 25.46 Favored Glycine 0 C--O 1.236 0.244 0 C-N-CA 121.448 -0.406 . . . . 1.6799999999999999 113.868 -170.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -83.91 0.94 45.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.902 0.382 . . . . 2.8500000000000001 111.829 -175.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 59.96 40.76 97.36 Favored Glycine 0 N--CA 1.453 -0.232 0 CA-C-N 115.653 -0.703 . . . . 0.62 113.071 175.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1138 ' ' SER . . . . . 0.568 ' O ' ' HG2' ' A' 1141 ' ' LYS . 2.1 p -74.38 -16.05 60.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.996 0.427 . . . . 0.44 110.827 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1139 ' ' ASP . . . . . 0.415 ' OD2' ' HA ' ' A' 1127 ' ' VAL . 4.5 p-10 -73.71 -35.08 65.07 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.138 -0.69 . . . . 0.33000000000000002 109.138 174.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -72.32 -39.56 68.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.435 -0.802 . . . . 0.44 109.873 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1141 ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' 1138 ' ' SER . 15.2 pttp -66.49 -28.68 68.77 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.259 0.552 . . . . 1.55 109.871 178.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 5.3 t30 -81.96 60.63 4.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.516 -0.765 . . . . 2.0499999999999998 109.185 177.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 30.8 t -179.81 -42.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.401 -0.818 . . . . 1.6699999999999999 110.29 -174.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 9.9 p30 -150.4 151.31 32.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.049 -0.523 . . . . 4.5899999999999999 110.449 -178.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 15.9 m -96.74 -47.49 5.86 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.641 -0.709 . . . . 5.4000000000000004 110.035 175.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 63.3 p -91.38 73.6 6.1 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.555 -0.748 . . . . 8.1500000000000004 111.525 -177.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -32.63 74.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.054 -0.521 . . . . 9.8699999999999992 110.521 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--N 1.324 -0.514 0 CA-C-O 121.369 0.604 . . . . 11.119999999999999 110.985 178.302 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 6.9 t . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 120.508 0.194 . . . . 12.26 110.836 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 70.5 m80 64.2 93.7 0.06 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.323 0.582 . . . . 11.34 111.733 176.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -62.14 124.29 81.56 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.321 -0.854 . . . . 8.3000000000000007 110.859 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.6 145.73 68.39 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.997 2.465 . . . . 6.0899999999999999 112.278 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -78.03 74.95 4.57 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.141 0.496 . . . . 4.7300000000000004 110.746 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 13.2 p -77.79 130.64 36.96 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.877 -0.602 . . . . 2.9700000000000002 110.15 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 74.9 m -80.27 178.34 8.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.912 0.387 . . . . 0.71999999999999997 111.693 -176.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 9.3 tp -57.5 157.84 6.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.664 -0.698 . . . . 0.52000000000000002 110.552 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -66.96 -26.58 66.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.053 0.454 . . . . 2.3199999999999998 109.798 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 6.5 p -99.42 1.8 44.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.73 -0.668 . . . . 0.52000000000000002 111.18 177.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -100.37 164.89 11.72 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.263 0.554 . . . . 1.02 111.115 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 71.0 t80 -109.15 150.34 28.01 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.037 -0.983 . . . . 0.40999999999999998 109.639 173.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 9.6 m -113.41 103.25 11.1 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.704 -0.68 . . . . 0.31 109.614 178.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 76.5 m -66.34 169.3 7.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.428 -0.351 . . . . 0.65000000000000002 111.337 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 15.1 t70 -54.74 -47.02 74.35 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.565 -0.289 . . . . 2.6200000000000001 111.775 -172.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -88.44 30.12 0.92 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.801 0.334 . . . . 2.75 111.551 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 64.0 m170 59.76 64.33 1.32 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.709 -0.678 . . . . 1.05 112.108 175.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1120 ' ' GLN . . . . . 0.497 ' OE1' ' HA ' ' A' 1120 ' ' GLN . 6.0 tp60 -118.46 128.38 54.55 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.601 -0.518 . . . . 1.9099999999999999 109.601 173.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 75.2 m -90.38 112.62 24.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.937 -0.574 . . . . 0.41999999999999998 110.997 -178.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1122 ' ' ILE . . . . . 0.438 HD13 ' SG ' ' A' 1134 ' ' CYS . 38.3 pt -129.88 169.95 19.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.713 -0.676 . . . . 0.19 110.07 177.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 13.1 t -70.83 144.68 50.7 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.869 -0.419 . . . . 0.33000000000000002 109.869 175.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 97.1 mttt -68.65 -11.05 59.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.368 . . . . 1.24 110.138 175.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -79.56 -20.47 46.98 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.21 0.528 . . . . 1.75 109.841 174.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1126 ' ' TRP . . . . . 0.475 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 46.0 m0 -87.55 -13.71 42.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.766 -0.652 . . . . 0.57999999999999996 110.336 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 89.5 t -69.98 120.49 17.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.118 -0.492 . . . . 0.23999999999999999 110.416 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 41.9 t 63.59 48.89 3.22 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.627 0.727 . . . . 0.57999999999999996 110.368 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -114.34 12.35 17.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.661 -0.7 . . . . 0.46000000000000002 109.723 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 57.9 p 56.19 31.41 18.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.815 -1.084 . . . . 0.72999999999999998 112.318 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 21.7 t70 -131.07 146.65 52.45 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-N 116.347 -0.388 . . . . 1.21 110.195 174.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -82.69 88.25 6.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.697 -0.683 . . . . 2.5800000000000001 111.218 -176.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1133 ' ' ASP . . . . . 0.475 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.0 OUTLIER -98.09 -18.83 18.31 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.607 -0.724 . . . . 1.28 110.19 178.459 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1134 ' ' CYS . . . . . 0.438 ' SG ' HD13 ' A' 1122 ' ' ILE . 87.8 m -118.98 146.39 45.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.939 -0.573 . . . . 1.5700000000000001 110.095 175.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -79.88 47.39 3.31 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 121.164 -0.541 . . . . 1.6799999999999999 112.963 -176.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 3.9 p30 -164.91 -35.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 122.607 0.363 . . . . 2.8500000000000001 110.671 178.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 90.68 18.3 48.68 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.087 -0.578 . . . . 0.62 111.898 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1138 ' ' SER . . . . . 0.53 ' O ' ' HG2' ' A' 1141 ' ' LYS . 37.3 p -69.05 -22.77 64.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.563 0.22 . . . . 0.44 111.397 -177.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1139 ' ' ASP . . . . . 0.515 ' HA ' ' ND2' ' A' 1142 ' ' ASN . 3.3 p-10 -69.17 -32.76 72.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.347 0.594 . . . . 0.33000000000000002 109.814 176.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -79.65 -26.55 41.03 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.713 -0.676 . . . . 0.44 110.377 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1141 ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' 1138 ' ' SER . 54.2 pttt -82.69 -26.96 31.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.319 -0.401 . . . . 1.55 111.679 -174.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1142 ' ' ASN . . . . . 0.515 ' ND2' ' HA ' ' A' 1139 ' ' ASP . 7.8 p30 -87.21 17.6 4.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.057 0.456 . . . . 2.0499999999999998 110.644 -178.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 34.0 t -75.71 63.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.466 0.65 . . . . 1.6699999999999999 110.933 -178.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 7.7 p30 -150.83 36.55 0.62 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.464 -0.789 . . . . 4.5899999999999999 108.997 176.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 52.1 p -65.4 151.38 46.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.045 -0.98 . . . . 5.4000000000000004 111.289 -176.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 13.7 p -70.36 96.06 1.1 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.999 -0.546 . . . . 8.1500000000000004 110.653 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -67.96 -25.58 65.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.68 -0.691 . . . . 9.8699999999999992 110.457 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 22.8 m . . . . . 0 N--CA 1.445 -0.699 0 CA-C-N 115.566 -0.743 . . . . 11.119999999999999 109.219 175.527 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 23.7 m . . . . . 0 N--CA 1.473 0.717 0 N-CA-C 110.406 -0.22 . . . . 12.26 110.406 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -63.09 116.74 5.65 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.934 -0.395 . . . . 11.34 109.934 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -62.97 128.71 92.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.866 -0.606 . . . . 8.3000000000000007 110.431 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -68.16 118.31 5.54 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.273 1.982 . . . . 6.0899999999999999 111.301 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -89.7 176.66 6.77 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.894 -0.594 . . . . 4.7300000000000004 110.895 -176.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 9.5 p -70.07 138.69 52.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.065 -0.516 . . . . 2.9700000000000002 109.837 176.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 38.5 m -78.1 172.2 13.88 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.134 -0.485 . . . . 0.71999999999999997 110.503 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.2 tp -56.93 151.16 15.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.97 -0.559 . . . . 0.52000000000000002 109.949 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.12 -23.54 67.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.978 0.418 . . . . 2.3199999999999998 110.337 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1112 ' ' THR . . . . . 0.576 ' O ' ' HG3' ' A' 1124 ' ' LYS . 5.1 p -100.93 7.47 43.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.07 -0.514 . . . . 0.52000000000000002 111.095 175.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1113 ' ' GLN . . . . . 0.713 ' OE1' ' HB3' ' A' 1121 ' ' CYS . 59.2 mt-30 -105.87 167.67 9.63 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.272 0.558 . . . . 1.02 110.896 173.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 61.3 t80 -107.76 151.12 26.13 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.356 -0.838 . . . . 0.40999999999999998 110.013 177.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 10.6 m -108.16 114.09 27.71 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.565 -0.743 . . . . 0.31 109.746 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 23.6 m -76.12 167.56 21.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.584 -0.28 . . . . 0.65000000000000002 110.848 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 25.2 t70 -56.88 -36.86 70.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.235 0.54 . . . . 2.6200000000000001 110.68 177.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -79.83 12.74 2.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.8 -0.636 . . . . 2.75 111.248 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 39.1 m80 63.98 26.44 14.12 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 122.765 0.426 . . . . 1.05 110.883 -177.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -87.83 151.91 22.5 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.378 -0.601 . . . . 1.9099999999999999 109.378 178.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1121 ' ' CYS . . . . . 0.713 ' HB3' ' OE1' ' A' 1113 ' ' GLN . 60.0 m -113.18 113.59 25.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.099 0.476 . . . . 0.41999999999999998 111.577 -176.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1122 ' ' ILE . . . . . 0.413 ' HB ' ' CE3' ' A' 1126 ' ' TRP . 38.5 pt -120.83 169.2 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.836 -0.62 . . . . 0.19 109.734 177.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 14.3 t -72.63 145.9 46.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.868 0.366 . . . . 0.33000000000000002 110.127 175.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1124 ' ' LYS . . . . . 0.576 ' HG3' ' O ' ' A' 1112 ' ' THR . 49.8 mttm -67.78 -15.8 63.81 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.096 -0.502 . . . . 1.24 110.556 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 16.1 m120 -74.13 -22.24 59.54 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 120.982 0.42 . . . . 1.75 110.71 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1126 ' ' TRP . . . . . 0.413 ' CE3' ' HB ' ' A' 1122 ' ' ILE . 36.0 m0 -79.88 -23.42 41.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.118 -0.492 . . . . 0.57999999999999996 110.189 -178.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 67.0 t -64.16 116.61 3.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.101 -0.499 . . . . 0.23999999999999999 111.031 -176.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1128 ' ' CYS . . . . . 0.434 ' HB2' ' HB2' ' A' 1143 ' ' CYS . 41.6 t 64.36 52.08 1.94 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 122.114 0.959 . . . . 0.57999999999999996 110.179 178.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -110.19 14.11 22.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.163 -0.926 . . . . 0.46000000000000002 109.54 176.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 40.9 p 66.17 8.29 5.44 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.094 1.357 . . . . 0.72999999999999998 112.217 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 31.8 t70 -120.68 104.0 9.57 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.081 -0.711 . . . . 1.21 109.081 172.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 9.0 p30 -59.53 128.64 38.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.139 0.495 . . . . 2.5800000000000001 111.978 -173.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1133 ' ' ASP . . . . . 0.403 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 18.3 m-20 -113.66 -172.23 2.04 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.947 -0.76 . . . . 1.28 108.947 176.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1134 ' ' CYS . . . . . . . . . . . . . 35.6 m 66.89 9.34 6.75 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.105 0.253 . . . . 1.5700000000000001 111.373 177.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 74.65 -47.02 1.75 Allowed Glycine 0 CA--C 1.522 0.517 0 C-N-CA 121.319 -0.467 . . . . 1.6799999999999999 112.892 -176.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -95.76 -8.1 35.37 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.099 0.407 . . . . 2.8500000000000001 112.099 -177.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 75.91 30.99 56.78 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.559 -0.829 . . . . 0.62 112.574 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1138 ' ' SER . . . . . . . . . . . . . 27.6 p -73.64 -1.02 17.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.049 0.452 . . . . 0.44 111.407 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -96.1 -26.68 15.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.121 0.486 . . . . 0.33000000000000002 110.045 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1140 ' ' GLU . . . . . 0.415 ' OE1' ' HA ' ' A' 1128 ' ' CYS . 75.7 mm-40 -92.34 -9.04 43.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.008 -0.542 . . . . 0.44 110.315 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1141 ' ' LYS . . . . . . . . . . . . . 21.7 pttp -66.24 -28.96 69.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.093 0.473 . . . . 1.55 110.652 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 10.7 t30 -82.87 -6.97 59.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.647 0.737 . . . . 2.0499999999999998 109.326 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1143 ' ' CYS . . . . . 0.434 ' HB2' ' HB2' ' A' 1128 ' ' CYS . 9.5 t -96.92 15.71 21.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.173 -0.921 . . . . 1.6699999999999999 110.069 -178.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 3.9 p-10 43.01 53.01 5.24 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.748 -1.115 . . . . 4.5899999999999999 111.969 -176.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 6.6 p -64.18 130.39 43.71 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.715 -0.675 . . . . 5.4000000000000004 110.522 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 24.8 p -79.5 45.92 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.498 0.666 . . . . 8.1500000000000004 111.268 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -88.53 -8.33 54.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.646 -0.706 . . . . 9.8699999999999992 111.381 -176.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 6.3 m . . . . . 0 C--N 1.325 -0.49 0 CA-C-O 121.82 0.819 . . . . 11.119999999999999 110.195 179.912 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 16.9 p . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 110.523 -0.177 . . . . 12.26 110.523 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 15.4 t-80 61.8 94.94 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 O-C-N 123.474 0.484 . . . . 11.34 110.829 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1105 ' ' ALA . . . . . 0.45 ' HA ' ' HD3' ' A' 1106 ' ' PRO . . . -67.51 120.84 75.95 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.902 -0.59 . . . . 8.3000000000000007 110.795 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1106 ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' 1105 ' ' ALA . 18.3 Cg_exo -66.2 125.56 14.26 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.624 2.216 . . . . 6.0899999999999999 111.879 178.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -130.28 99.67 5.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.244 -0.434 . . . . 4.7300000000000004 110.716 -178.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 23.5 p -85.45 -178.48 6.71 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.274 -0.421 . . . . 2.9700000000000002 110.947 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 59.8 m -71.56 -175.03 1.21 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.084 -0.507 . . . . 0.71999999999999997 111.819 -177.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.5 tp -60.21 160.99 7.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.675 -0.693 . . . . 0.52000000000000002 110.386 177.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -64.44 -34.75 78.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.971 0.415 . . . . 2.3199999999999998 110.222 176.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 29.5 p -89.69 -3.91 57.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.01 -0.541 . . . . 0.52000000000000002 111.221 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -94.61 157.16 16.1 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 121.895 0.855 . . . . 1.02 112.129 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 88.2 t80 -103.14 150.82 23.26 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.158 -1.383 . . . . 0.40999999999999998 108.652 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 12.9 m -115.29 100.44 8.13 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 116.218 -0.446 . . . . 0.31 109.933 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 34.4 m -60.01 162.85 5.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.732 -0.667 . . . . 0.65000000000000002 110.332 178.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 13.8 t70 -67.78 -3.86 10.71 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.627 0.727 . . . . 2.6200000000000001 110.414 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 14.0 m120 -104.4 15.56 27.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.27 -0.877 . . . . 2.75 110.175 177.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 30.7 m80 57.57 32.1 21.32 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.138 0.494 . . . . 1.05 111.204 -175.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -95.62 124.85 39.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.828 -0.624 . . . . 1.9099999999999999 109.728 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 66.9 m -89.74 119.54 30.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.937 0.398 . . . . 0.41999999999999998 110.975 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 45.0 pt -132.91 173.58 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.815 -0.63 . . . . 0.19 109.632 176.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 13.4 t -71.65 141.31 49.92 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.011 0.434 . . . . 0.33000000000000002 110.114 174.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.72 -20.92 66.61 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 116.154 -0.475 . . . . 1.24 110.364 175.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -78.52 -13.77 59.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.001 0.429 . . . . 1.75 110.643 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 40.6 m0 -86.25 -17.71 34.02 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.975 -0.557 . . . . 0.57999999999999996 110.29 177.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 60.0 t -67.68 120.59 15.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 116.454 -0.339 . . . . 0.23999999999999999 111.107 -176.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 44.3 t 62.51 54.47 2.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.674 0.75 . . . . 0.57999999999999996 110.395 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -116.95 27.59 9.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.493 -0.776 . . . . 0.46000000000000002 110.262 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 40.2 p 60.31 16.52 6.27 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.458 1.103 . . . . 0.72999999999999998 112.334 -179.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 15.2 t70 -133.38 119.92 20.29 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.708 -0.478 . . . . 1.21 109.708 177.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -69.95 106.35 3.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.265 0.555 . . . . 2.5800000000000001 111.033 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -95.0 -39.73 10.02 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 116.219 -0.446 . . . . 1.28 110.708 -177.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1134 ' ' CYS . . . . . 0.601 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 21.4 m -73.83 152.97 40.11 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.264 -0.643 . . . . 1.5700000000000001 109.264 175.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -49.94 -58.58 8.39 Favored Glycine 0 C--O 1.235 0.195 0 C-N-CA 120.969 -0.634 . . . . 1.6799999999999999 112.592 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 31.1 t70 -75.8 -22.07 56.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.904 0.383 . . . . 2.8500000000000001 110.926 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 95.46 27.96 10.15 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 121.149 -0.548 . . . . 0.62 112.613 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1138 ' ' SER . . . . . 0.451 ' HA ' ' HG2' ' A' 1141 ' ' LYS . 80.2 p -64.89 -23.25 67.17 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.141 0.422 . . . . 0.44 112.141 -175.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1139 ' ' ASP . . . . . 0.601 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 6.5 p-10 -70.5 -25.63 63.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.118 0.485 . . . . 0.33000000000000002 110.568 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -90.33 -29.94 17.77 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.935 -0.575 . . . . 0.44 110.407 178.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1141 ' ' LYS . . . . . 0.451 ' HG2' ' HA ' ' A' 1138 ' ' SER . 46.2 pttt -75.54 -31.78 60.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.027 0.441 . . . . 1.55 110.11 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 6.4 t30 -82.51 70.21 9.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.334 0.588 . . . . 2.0499999999999998 109.416 177.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 28.6 t -162.92 46.09 0.14 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.636 0.731 . . . . 1.6699999999999999 109.657 -178.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -114.25 166.11 11.99 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.666 -0.697 . . . . 4.5899999999999999 110.23 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 21.8 m 56.48 68.71 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.72 0.772 . . . . 5.4000000000000004 111.363 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 14.4 p -90.87 88.13 6.92 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.975 -1.011 . . . . 8.1500000000000004 110.915 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1147 ' ' GLU . . . . . 0.52 ' CD ' ' H ' ' A' 1147 ' ' GLU . 0.5 OUTLIER -64.04 -26.67 68.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.829 -0.623 . . . . 9.8699999999999992 111.089 -177.483 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 116.413 -0.358 . . . . 11.119999999999999 111.195 178.653 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1103 ' ' THR . . . . . 0.411 ' O ' ' HB2' ' A' 1104 ' ' HIS . 18.4 p . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 111.941 0.349 . . . . 12.26 111.941 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1104 ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' 1103 ' ' THR . 38.8 m80 71.29 -58.25 0.58 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.179 0.592 . . . . 11.34 111.074 -178.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -61.01 133.51 92.57 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.251 -0.431 . . . . 8.3000000000000007 109.914 175.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -49.44 119.83 5.05 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.076 2.517 . . . . 6.0899999999999999 112.875 -176.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -79.08 73.62 5.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.627 -0.715 . . . . 4.7300000000000004 110.619 -178.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 8.3 p -80.56 58.2 3.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.972 -0.558 . . . . 2.9700000000000002 111.465 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 84.6 m -137.7 -176.56 4.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.838 -0.619 . . . . 0.71999999999999997 110.312 176.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.7 tp -59.59 157.3 11.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.016 -0.538 . . . . 0.52000000000000002 110.33 176.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 38.6 t70 -69.09 -24.35 64.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.05 0.452 . . . . 2.3199999999999998 110.632 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 11.6 p -96.99 -1.28 45.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.098 0.475 . . . . 0.52000000000000002 110.916 174.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -99.64 156.83 16.86 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 121.56 0.695 . . . . 1.02 111.525 178.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 75.8 t80 -106.14 151.05 25.23 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 114.723 -1.126 . . . . 0.40999999999999998 108.925 177.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 22.1 m -114.33 107.53 15.7 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.064 0.459 . . . . 0.31 110.441 -177.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 82.7 m -67.28 170.46 7.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.66 -0.7 . . . . 0.65000000000000002 111.845 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 7.2 t70 -58.15 -32.85 68.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.815 -0.629 . . . . 2.6200000000000001 109.687 171.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 5.5 m120 -78.89 2.85 18.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.376 -0.829 . . . . 2.75 111.348 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 47.5 m80 64.4 27.2 13.62 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.189 0.519 . . . . 1.05 110.841 -174.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1120 ' ' GLN . . . . . 0.533 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 56.9 tp60 -88.15 140.42 29.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.734 -0.666 . . . . 1.9099999999999999 109.458 176.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 59.9 m -103.84 103.21 13.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.371 -0.377 . . . . 0.41999999999999998 111.477 -175.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 45.1 pt -107.28 -178.22 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.324 -0.398 . . . . 0.19 109.964 175.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 12.2 t -79.31 141.26 37.17 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.685 0.279 . . . . 0.33000000000000002 110.337 175.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 93.6 mttt -66.05 -17.57 64.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.218 -0.446 . . . . 1.24 111.075 175.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -79.84 -17.68 52.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.056 0.455 . . . . 1.75 110.641 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 50.7 m0 -90.77 -9.11 47.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.05 -0.523 . . . . 0.57999999999999996 110.778 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 71.2 t -67.48 125.27 24.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.924 -0.58 . . . . 0.23999999999999999 111.159 -178.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 48.1 t 59.05 51.39 7.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.538 -0.755 . . . . 0.57999999999999996 110.532 177.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -112.82 18.71 17.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.471 -0.786 . . . . 0.46000000000000002 109.908 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 61.3 p 58.55 28.31 16.86 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.47 1.108 . . . . 0.72999999999999998 112.626 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 33.9 t70 -143.02 145.78 33.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.833 -0.621 . . . . 1.21 109.473 171.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1132 ' ' ASN . . . . . 0.408 ' OD1' ' HA2' ' A' 1137 ' ' GLY . 44.5 t30 -90.9 112.78 24.77 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.2 0.524 . . . . 2.5800000000000001 110.835 -178.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.79 -1.65 29.44 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 115.532 -0.758 . . . . 1.28 109.994 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1134 ' ' CYS . . . . . 0.533 ' SG ' ' HB3' ' A' 1120 ' ' GLN . 11.4 t -126.91 -175.07 3.31 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.608 -0.724 . . . . 1.5700000000000001 110.233 -171.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -70.61 -69.59 1.36 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.572 -0.823 . . . . 1.6799999999999999 112.438 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -71.17 -31.29 67.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.014 0.435 . . . . 2.8500000000000001 111.665 -178.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . 0.408 ' HA2' ' OD1' ' A' 1132 ' ' ASN . . . 87.87 26.86 28.07 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 110.909 -0.876 . . . . 0.62 110.909 -173.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1138 ' ' SER . . . . . 0.458 ' HA ' ' HG2' ' A' 1141 ' ' LYS . 64.9 p -68.76 -16.82 63.91 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.23 -0.485 . . . . 0.44 111.489 -174.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -68.93 -22.82 64.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.466 0.65 . . . . 0.33000000000000002 109.939 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -95.11 -39.2 10.25 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.594 -0.73 . . . . 0.44 110.156 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1141 ' ' LYS . . . . . 0.458 ' HG2' ' HA ' ' A' 1138 ' ' SER . 14.8 pttp -68.52 -30.21 68.96 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.805 0.336 . . . . 1.55 111.328 -174.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 63.0 t30 -74.99 -17.82 60.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.472 0.653 . . . . 2.0499999999999998 109.615 177.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 50.1 t -96.36 59.19 1.84 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.885 -0.784 . . . . 1.6699999999999999 108.885 173.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 2.8 p30 -81.99 63.12 6.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.297 -0.865 . . . . 4.5899999999999999 111.218 -176.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 12.6 p -120.15 133.54 55.48 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.902 -0.59 . . . . 5.4000000000000004 110.311 177.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 25.1 p -70.03 98.96 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.162 -0.472 . . . . 8.1500000000000004 111.381 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -72.35 -21.97 61.23 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.86 -0.422 . . . . 9.8699999999999992 109.86 178.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 16.5 m . . . . . 0 CA--C 1.528 0.115 0 CA-C-N 115.209 -0.905 . . . . 11.119999999999999 110.35 -177.358 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.475 0.787 0 CA-C-O 120.837 0.351 . . . . 12.26 110.52 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -102.5 -1.82 29.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 11.34 110.193 176.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1105 ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' 1106 ' ' PRO . . . -100.22 119.89 58.01 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.831 -0.622 . . . . 8.3000000000000007 110.737 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1106 ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' 1105 ' ' ALA . 2.7 Cg_exo -75.37 149.01 34.63 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.502 2.135 . . . . 6.0899999999999999 111.971 177.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -93.99 37.35 1.09 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.27 0.557 . . . . 4.7300000000000004 110.173 177.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 5.5 p -74.76 149.55 39.71 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.339 -0.846 . . . . 2.9700000000000002 111.339 -176.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 84.8 m -86.7 -169.34 2.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.386 -0.825 . . . . 0.71999999999999997 111.297 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1110 ' ' LEU . . . . . 0.5 ' CB ' ' HB2' ' A' 1113 ' ' GLN . 5.0 tp -51.84 163.18 0.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 123.668 0.787 . . . . 0.52000000000000002 111.894 -178.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -61.42 -39.98 92.74 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.974 0.416 . . . . 2.3199999999999998 110.238 178.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1112 ' ' THR . . . . . 0.549 ' O ' ' HG3' ' A' 1124 ' ' LYS . 25.6 p -95.34 8.81 42.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.206 -0.452 . . . . 0.52000000000000002 111.377 177.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1113 ' ' GLN . . . . . 0.5 ' HB2' ' CB ' ' A' 1110 ' ' LEU . 15.1 mt-30 -110.7 150.31 29.22 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-O 121.855 0.835 . . . . 1.02 112.066 178.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 78.7 t80 -98.74 148.1 24.21 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.075 -1.421 . . . . 0.40999999999999998 109.502 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 4.6 m -109.19 100.22 9.4 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.564 -0.743 . . . . 0.31 109.47 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1116 ' ' CYS . . . . . 0.472 ' HB3' ' OG ' ' A' 1138 ' ' SER . 99.3 m -72.56 173.31 9.08 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.241 -0.436 . . . . 0.65000000000000002 111.779 -177.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 19.0 t70 -58.34 -40.79 83.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.036 0.446 . . . . 2.6200000000000001 110.893 -178.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -83.37 14.7 3.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.06 -0.518 . . . . 2.75 110.79 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 41.7 m80 63.67 23.01 13.36 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.546 -0.752 . . . . 1.05 111.8 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -76.41 134.67 39.54 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.469 -0.567 . . . . 1.9099999999999999 109.469 175.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1121 ' ' CYS . . . . . 0.465 ' HB3' ' NE2' ' A' 1113 ' ' GLN . 96.1 m -100.98 103.87 15.02 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.117 -0.492 . . . . 0.41999999999999998 110.801 -177.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 35.7 pt -116.16 166.17 10.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.787 -0.642 . . . . 0.19 109.912 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 40.3 t -69.99 140.02 52.88 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.97 -0.752 . . . . 0.33000000000000002 108.97 174.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1124 ' ' LYS . . . . . 0.549 ' HG3' ' O ' ' A' 1112 ' ' THR . 85.0 mttt -63.71 -15.22 57.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.909 0.385 . . . . 1.24 110.608 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 6.8 t30 -73.05 -21.08 60.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.831 -0.622 . . . . 1.75 110.63 177.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 35.3 m0 -86.01 -17.25 35.78 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.022 0.439 . . . . 0.57999999999999996 110.327 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 92.5 t -66.34 117.5 7.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.961 -0.563 . . . . 0.23999999999999999 110.625 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 41.9 t 63.69 57.37 1.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.843 0.83 . . . . 0.57999999999999996 110.184 -178.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -115.88 23.95 11.86 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.281 -0.872 . . . . 0.46000000000000002 109.57 175.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 35.0 p 65.86 14.76 9.75 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.615 1.166 . . . . 0.72999999999999998 112.43 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 34.7 t70 -135.01 133.72 39.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.39 -0.368 . . . . 1.21 110.446 174.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -75.37 108.64 8.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.201 -0.454 . . . . 2.5800000000000001 110.36 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -94.37 -44.51 7.88 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 120.937 0.399 . . . . 1.28 110.713 -177.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1134 ' ' CYS . . . . . . . . . . . . . 86.2 m -84.13 62.55 7.16 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.02 -0.536 . . . . 1.5700000000000001 111.161 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 63.57 -92.74 0.11 Allowed Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.919 -0.582 . . . . 1.6799999999999999 112.448 178.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.59 -24.51 62.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.07 0.462 . . . . 2.8500000000000001 110.578 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 92.74 46.56 3.39 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.624 -0.798 . . . . 0.62 112.709 176.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1138 ' ' SER . . . . . 0.672 ' O ' ' HG2' ' A' 1141 ' ' LYS . 15.1 p -62.41 -20.55 64.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.946 0.403 . . . . 0.44 110.843 178.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -72.62 -17.16 61.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.273 0.559 . . . . 0.33000000000000002 110.8 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -95.05 -26.17 16.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.168 -0.469 . . . . 0.44 110.506 178.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1141 ' ' LYS . . . . . 0.672 ' HG2' ' O ' ' A' 1138 ' ' SER . 19.1 pttp -71.74 -23.44 61.61 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.176 -0.465 . . . . 1.55 111.644 -172.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -97.83 16.47 20.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.882 0.372 . . . . 2.0499999999999998 111.346 -176.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 23.6 t -88.82 89.6 8.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.081 0.467 . . . . 1.6699999999999999 110.191 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -84.58 -17.75 37.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.951 -0.568 . . . . 4.5899999999999999 110.835 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 6.2 p -77.5 -82.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.891 -0.595 . . . . 5.4000000000000004 110.75 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 26.0 p -91.46 72.78 6.04 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.918 -0.583 . . . . 8.1500000000000004 111.27 -178.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -75.51 -16.71 60.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.114 -0.494 . . . . 9.8699999999999992 110.323 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.45 -0.467 0 CA-C-N 115.809 -0.632 . . . . 11.119999999999999 110.14 174.424 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 19.2 m . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 120.49 0.186 . . . . 12.26 110.758 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -168.91 -38.28 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 121.322 -0.151 . . . . 11.34 111.117 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -55.45 122.16 42.57 Favored Pre-proline 0 C--O 1.235 0.292 0 CA-C-N 116.345 -0.389 . . . . 8.3000000000000007 111.481 -179.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -79.05 152.21 24.33 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.775 2.317 . . . . 6.0899999999999999 112.069 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -80.16 119.83 23.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.317 -0.401 . . . . 4.7300000000000004 110.534 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 11.4 p -73.76 103.86 4.46 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.136 -0.484 . . . . 2.9700000000000002 110.679 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 70.2 m -101.88 -166.97 1.35 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.065 -0.516 . . . . 0.71999999999999997 111.019 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.9 tp -71.07 173.05 8.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.005 -0.543 . . . . 0.52000000000000002 110.463 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -76.14 -37.11 58.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.89 0.376 . . . . 2.3199999999999998 110.413 176.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 17.6 p -91.81 6.08 47.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.021 0.438 . . . . 0.52000000000000002 111.046 175.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -100.61 158.02 16.25 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 121.475 0.655 . . . . 1.02 111.327 174.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 78.3 t80 -113.07 148.37 35.35 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.806 -1.088 . . . . 0.40999999999999998 109.451 176.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 12.8 m -102.31 107.73 18.85 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.673 -0.694 . . . . 0.31 109.768 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 61.8 m -63.73 161.02 15.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.8 -0.636 . . . . 0.65000000000000002 110.857 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 29.7 t70 -59.48 -30.82 68.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.26 0.553 . . . . 2.6200000000000001 109.827 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 12.8 m120 -78.56 12.71 1.89 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.382 -0.826 . . . . 2.75 111.448 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 70.8 m80 61.7 49.41 4.95 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 122.784 0.434 . . . . 1.05 110.583 -179.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -122.81 147.41 46.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.124 -0.489 . . . . 1.9099999999999999 110.332 -177.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 86.0 m -102.32 105.78 16.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.923 0.392 . . . . 0.41999999999999998 111.128 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 45.7 pt -115.37 174.42 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.05 -0.523 . . . . 0.19 109.812 175.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 40.3 t -78.5 141.03 38.5 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.849 0.357 . . . . 0.33000000000000002 110.225 176.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 64.1 mttm -64.95 -19.29 65.88 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.136 -0.484 . . . . 1.24 111.28 178.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -79.71 -8.0 58.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.963 0.411 . . . . 1.75 111.051 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 43.9 m0 -93.34 -17.61 23.36 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.737 -0.468 . . . . 0.57999999999999996 109.737 177.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 92.7 t -64.21 121.16 12.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.845 -0.616 . . . . 0.23999999999999999 111.036 -177.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1128 ' ' CYS . . . . . 0.406 ' HB2' ' HB2' ' A' 1143 ' ' CYS . 0.5 OUTLIER 63.32 43.45 6.15 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.393 -0.822 . . . . 0.57999999999999996 111.255 175.552 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -102.54 21.72 14.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.731 -0.668 . . . . 0.46000000000000002 109.642 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 76.7 p 59.22 28.9 18.35 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.566 1.146 . . . . 0.72999999999999998 112.031 -177.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 37.9 t70 -142.44 130.12 21.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.873 -0.603 . . . . 1.21 110.129 175.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -76.87 103.44 6.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.719 0.295 . . . . 2.5800000000000001 111.106 -177.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -88.65 -45.24 10.0 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.042 0.449 . . . . 1.28 110.084 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1134 ' ' CYS . . . . . . . . . . . . . 17.1 m -71.34 164.5 25.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.583 -0.735 . . . . 1.5700000000000001 110.381 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -49.75 -51.15 29.58 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 121.412 -0.423 . . . . 1.6799999999999999 113.103 -178.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -105.31 17.66 23.6 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.703 -0.293 . . . . 2.8500000000000001 111.415 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 59.13 41.77 96.77 Favored Glycine 0 C--N 1.33 0.248 0 C-N-CA 121.013 -0.613 . . . . 0.62 112.446 -178.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1138 ' ' SER . . . . . 0.489 ' O ' ' HG2' ' A' 1141 ' ' LYS . 55.2 p -66.66 -25.5 66.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.96 0.41 . . . . 0.44 111.189 -177.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -70.84 -14.73 62.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.147 0.499 . . . . 0.33000000000000002 110.519 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -102.76 -16.27 16.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.879 -0.601 . . . . 0.44 110.523 178.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1141 ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' 1138 ' ' SER . 17.9 pttp -85.83 -36.1 20.23 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.751 -0.38 . . . . 1.55 111.88 -172.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -123.23 45.64 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.509 0.671 . . . . 2.0499999999999998 110.803 -178.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1143 ' ' CYS . . . . . 0.406 ' HB2' ' HB2' ' A' 1128 ' ' CYS . 20.9 p -106.31 138.84 41.78 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.554 -0.748 . . . . 1.6699999999999999 110.078 -177.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -78.08 132.32 37.68 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.489 -0.778 . . . . 4.5899999999999999 109.108 174.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 3.3 p -74.11 121.97 21.98 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.944 0.402 . . . . 5.4000000000000004 109.938 176.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 1.5 p -80.2 64.4 5.01 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.396 0.617 . . . . 8.1500000000000004 111.105 -178.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -75.23 -39.22 60.19 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 115.172 -0.922 . . . . 9.8699999999999992 109.668 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 5.0 m . . . . . 0 C--N 1.322 -0.597 0 CA-C-O 121.743 0.782 . . . . 11.119999999999999 109.416 179.513 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 121.037 0.446 . . . . 12.26 111.015 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -77.59 -33.02 53.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.046 -0.525 . . . . 11.34 110.464 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -84.41 125.31 72.19 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.092 -0.504 . . . . 8.3000000000000007 110.295 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.23 132.9 53.06 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.08 2.52 . . . . 6.0899999999999999 112.316 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -131.62 132.55 44.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.106 -0.497 . . . . 4.7300000000000004 110.589 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 7.8 p -73.57 129.56 38.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.001 -0.545 . . . . 2.9700000000000002 110.163 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 56.4 m -67.38 175.38 2.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.112 0.482 . . . . 0.71999999999999997 111.279 -178.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 8.9 tp -61.44 160.42 11.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.86 -0.609 . . . . 0.52000000000000002 110.548 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.7 -38.81 86.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.133 0.492 . . . . 2.3199999999999998 109.847 174.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 13.4 p -94.13 9.24 38.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.659 -0.7 . . . . 0.52000000000000002 111.487 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -103.26 157.39 17.05 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.611 0.719 . . . . 1.02 111.642 174.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1114 ' ' TYR . . . . . 0.472 ' O ' ' HA ' ' A' 1121 ' ' CYS . 90.2 t80 -111.02 154.05 24.73 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.579 -1.191 . . . . 0.40999999999999998 109.749 178.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 4.6 m -106.51 101.63 11.08 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.028 -0.533 . . . . 0.31 110.024 -178.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1116 ' ' CYS . . . . . 0.436 ' HB2' ' HB3' ' A' 1120 ' ' GLN . 55.9 m -67.31 171.85 5.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.65000000000000002 111.346 -178.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 27.8 t70 -51.78 -45.99 63.99 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 122.631 0.373 . . . . 2.6200000000000001 111.745 -177.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -92.6 33.37 1.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.783 0.325 . . . . 2.75 111.459 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 34.0 m170 63.18 28.72 15.99 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.007 -0.542 . . . . 1.05 111.941 174.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1120 ' ' GLN . . . . . 0.436 ' HB3' ' HB2' ' A' 1116 ' ' CYS . 28.4 tp60 -87.81 125.22 34.33 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.907 -0.405 . . . . 1.9099999999999999 109.907 177.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1121 ' ' CYS . . . . . 0.472 ' HA ' ' O ' ' A' 1114 ' ' TYR . 58.8 m -88.2 101.14 13.54 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.424 -0.353 . . . . 0.41999999999999998 110.781 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1122 ' ' ILE . . . . . 0.45 HD13 ' SG ' ' A' 1134 ' ' CYS . 42.4 pt -103.0 172.26 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.737 -0.468 . . . . 0.19 109.737 174.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 30.1 t -74.42 143.48 44.72 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.849 -0.426 . . . . 0.33000000000000002 109.849 175.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1124 ' ' LYS . . . . . 0.408 ' HA ' HG23 ' A' 1127 ' ' VAL . 63.7 mttm -67.13 -15.34 63.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.494 -0.321 . . . . 1.24 110.79 177.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 18.6 m120 -74.14 -14.04 60.91 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.097 0.475 . . . . 1.75 110.376 174.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1126 ' ' TRP . . . . . 0.486 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 47.3 m0 -97.24 -11.24 24.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.035 -0.53 . . . . 0.57999999999999996 110.937 -177.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1127 ' ' VAL . . . . . 0.408 HG23 ' HA ' ' A' 1124 ' ' LYS . 60.9 t -73.54 118.49 18.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.37 -0.377 . . . . 0.23999999999999999 111.267 -177.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1128 ' ' CYS . . . . . 0.452 ' HA ' ' OE1' ' A' 1140 ' ' GLU . 50.4 t 58.82 54.81 4.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.262 -0.881 . . . . 0.57999999999999996 109.732 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -113.04 14.14 19.55 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.105 -0.952 . . . . 0.46000000000000002 109.29 177.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 82.1 p 57.07 29.32 16.32 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 114.704 -1.135 . . . . 0.72999999999999998 111.536 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 14.4 t70 -135.0 142.48 46.45 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.816 -0.629 . . . . 1.21 109.555 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -78.58 116.77 19.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.31 -0.404 . . . . 2.5800000000000001 111.57 -174.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1133 ' ' ASP . . . . . 0.486 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.0 OUTLIER -133.66 -39.14 0.89 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.785 -0.643 . . . . 1.28 111.08 178.601 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1134 ' ' CYS . . . . . 0.656 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 88.2 m -77.09 34.76 0.16 Allowed 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.312 0.486 . . . . 1.5700000000000001 112.312 177.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 73.41 -71.28 1.28 Allowed Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.841 -0.695 . . . . 1.6799999999999999 112.438 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 13.8 t70 -93.08 -49.79 5.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.78 0.324 . . . . 2.8500000000000001 110.192 177.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 133.94 40.9 0.17 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.712 -0.756 . . . . 0.62 112.828 175.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1138 ' ' SER . . . . . 0.444 ' O ' ' HG2' ' A' 1141 ' ' LYS . 80.0 p -66.3 -25.49 66.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.963 0.411 . . . . 0.44 111.027 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1139 ' ' ASP . . . . . 0.656 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 5.4 p-10 -68.33 -29.54 68.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.04 -0.527 . . . . 0.33000000000000002 110.111 178.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1140 ' ' GLU . . . . . 0.452 ' OE1' ' HA ' ' A' 1128 ' ' CYS . 69.4 mm-40 -85.58 -36.3 20.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.733 -0.667 . . . . 0.44 110.442 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1141 ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' 1138 ' ' SER . 18.4 pttp -66.32 -32.88 74.56 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.216 -0.447 . . . . 1.55 111.742 -173.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 10.0 p30 -78.92 -5.75 54.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.109 0.481 . . . . 2.0499999999999998 110.398 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 11.4 t -86.62 -2.54 58.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.958 -0.565 . . . . 1.6699999999999999 110.112 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 4.4 p30 39.08 65.43 0.67 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.009 0.923 . . . . 4.5899999999999999 113.068 174.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 91.6 p 60.2 133.97 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.715 1.206 . . . . 5.4000000000000004 112.291 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1146 ' ' THR . . . . . 0.604 ' HB ' ' O ' ' A' 1148 ' ' THR . 33.3 p -68.3 98.24 0.8 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.5 -0.773 . . . . 8.1500000000000004 111.314 -176.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -53.23 -42.6 66.57 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.25 -0.886 . . . . 9.8699999999999992 109.785 171.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1148 ' ' THR . . . . . 0.604 ' O ' ' HB ' ' A' 1146 ' ' THR . 29.5 p . . . . . 0 C--N 1.321 -0.666 0 CA-C-N 114.959 -1.018 . . . . 11.119999999999999 109.213 177.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 38.0 m . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 120.308 0.099 . . . . 12.26 111.004 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 37.7 m80 54.36 56.28 7.1 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.992 0.425 . . . . 11.34 111.409 -179.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -79.2 137.77 56.45 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.024 -0.535 . . . . 8.3000000000000007 110.139 178.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.75 125.41 14.24 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.62 2.213 . . . . 6.0899999999999999 112.175 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -74.17 141.36 45.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.137 -0.483 . . . . 4.7300000000000004 110.101 178.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 8.3 p -79.84 76.33 6.53 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.94 0.4 . . . . 2.9700000000000002 111.164 -177.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 77.8 m 60.51 -164.89 0.22 Allowed 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.583 -0.735 . . . . 0.71999999999999997 111.653 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1110 ' ' LEU . . . . . 0.592 ' HB2' HE21 ' A' 1113 ' ' GLN . 4.3 tp -61.2 162.56 7.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.62 -0.718 . . . . 0.52000000000000002 110.457 177.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -65.65 -25.78 67.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.238 0.542 . . . . 2.3199999999999998 110.182 176.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1112 ' ' THR . . . . . 0.467 ' O ' ' HG3' ' A' 1124 ' ' LYS . 10.8 p -105.26 10.29 33.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.769 -0.65 . . . . 0.52000000000000002 111.274 176.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1113 ' ' GLN . . . . . 0.592 HE21 ' HB2' ' A' 1110 ' ' LEU . 26.9 mt-30 -115.12 152.68 32.12 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-O 121.945 0.879 . . . . 1.02 112.239 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1114 ' ' TYR . . . . . 0.479 ' O ' ' HA ' ' A' 1121 ' ' CYS . 62.0 t80 -104.45 149.85 25.07 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 113.937 -1.483 . . . . 0.40999999999999998 109.707 178.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 8.7 m -101.44 103.19 14.09 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.763 -0.653 . . . . 0.31 109.643 178.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 61.3 m -68.28 163.25 23.33 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.67 -0.695 . . . . 0.65000000000000002 110.662 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 18.1 t70 -56.85 -37.51 71.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.116 0.484 . . . . 2.6200000000000001 111.044 -177.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -81.14 17.89 1.18 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.746 -0.661 . . . . 2.75 111.262 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 64.3 m80 63.87 27.05 14.43 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.092 0.557 . . . . 1.05 111.082 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -95.63 139.71 31.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.871 -0.604 . . . . 1.9099999999999999 109.943 177.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1121 ' ' CYS . . . . . 0.479 ' HA ' ' O ' ' A' 1114 ' ' TYR . 68.7 m -101.11 120.02 39.6 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.96 0.409 . . . . 0.41999999999999998 110.925 -179.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 47.7 pt -118.95 168.33 11.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.28 -0.637 . . . . 0.19 109.28 174.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 39.2 t -73.37 141.1 47.03 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.291 -0.633 . . . . 0.33000000000000002 109.291 175.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1124 ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' 1112 ' ' THR . 51.6 mttm -65.23 -20.37 66.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.039 -0.528 . . . . 1.24 110.504 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 11.5 t30 -69.76 -20.43 63.49 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.224 0.535 . . . . 1.75 110.412 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1126 ' ' TRP . . . . . 0.504 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 34.9 m0 -87.59 -13.27 43.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.973 -0.558 . . . . 0.57999999999999996 110.444 -178.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1127 ' ' VAL . . . . . 0.413 HG23 ' HA ' ' A' 1124 ' ' LYS . 99.3 t -67.42 123.67 21.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.763 -0.653 . . . . 0.23999999999999999 111.125 -179.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1128 ' ' CYS . . . . . 0.498 ' HA ' ' OE1' ' A' 1140 ' ' GLU . 42.0 t 60.2 55.62 3.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.312 -0.858 . . . . 0.57999999999999996 110.325 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -116.53 17.63 15.32 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.235 -0.893 . . . . 0.46000000000000002 109.325 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 50.4 p 58.63 22.82 10.27 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 114.664 -1.153 . . . . 0.72999999999999998 112.314 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 37.8 t70 -128.18 137.62 52.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.147 -0.479 . . . . 1.21 109.941 173.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 57.8 t30 -83.64 87.53 7.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.463 0.649 . . . . 2.5800000000000001 110.99 -176.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1133 ' ' ASP . . . . . 0.504 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.0 OUTLIER -95.7 -27.77 15.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.24 -0.891 . . . . 1.28 110.269 179.128 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1134 ' ' CYS . . . . . 0.676 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 8.3 m -72.8 -14.34 61.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.05 -0.523 . . . . 1.5700000000000001 111.608 175.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 78.41 -49.31 3.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.63 -0.795 . . . . 1.6799999999999999 111.628 -176.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 24.6 t70 -82.13 -13.47 57.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.311 0.577 . . . . 2.8500000000000001 110.385 176.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 76.26 16.55 80.62 Favored Glycine 0 C--N 1.33 0.2 0 CA-C-N 115.82 -0.627 . . . . 0.62 111.98 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1138 ' ' SER . . . . . 0.544 ' O ' ' HG2' ' A' 1141 ' ' LYS . 20.1 p -69.08 -16.93 63.8 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.367 0.506 . . . . 0.44 112.367 -173.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1139 ' ' ASP . . . . . 0.676 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 5.9 p-10 -81.45 -29.62 33.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.265 0.555 . . . . 0.33000000000000002 109.91 178.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1140 ' ' GLU . . . . . 0.498 ' OE1' ' HA ' ' A' 1128 ' ' CYS . 63.6 mm-40 -86.31 -30.05 22.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.719 -0.673 . . . . 0.44 109.947 -178.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1141 ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' 1138 ' ' SER . 20.8 pttp -61.6 -38.5 87.79 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.824 -0.625 . . . . 1.55 111.682 -174.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1142 ' ' ASN . . . . . 0.488 HD22 ' C ' ' A' 1142 ' ' ASN . 0.3 OUTLIER -100.7 31.72 3.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.069 0.461 . . . . 2.0499999999999998 111.417 -174.79 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 47.5 t -86.4 65.88 9.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.25 0.548 . . . . 1.6699999999999999 109.623 176.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 24.3 p-10 -110.32 142.05 42.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.056 -0.52 . . . . 4.5899999999999999 110.769 -179.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 33.7 p -164.23 -58.91 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.606 -0.725 . . . . 5.4000000000000004 110.111 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 64.1 p -91.05 46.65 1.33 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.675 -0.693 . . . . 8.1500000000000004 111.216 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -89.17 -23.72 22.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.713 -0.676 . . . . 9.8699999999999992 110.844 -178.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.327 -0.402 0 CA-C-O 121.059 0.457 . . . . 11.119999999999999 110.937 179.414 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 121.087 0.47 . . . . 12.26 111.126 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 33.0 m80 -95.2 133.15 39.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.888 0.375 . . . . 11.34 110.617 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1105 ' ' ALA . . . . . 0.417 ' HA ' ' HD3' ' A' 1106 ' ' PRO . . . -97.46 143.92 27.03 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.826 -0.625 . . . . 8.3000000000000007 109.862 178.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1106 ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' 1105 ' ' ALA . 38.6 Cg_exo -59.86 129.9 32.58 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.675 2.25 . . . . 6.0899999999999999 112.181 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -99.75 -162.34 0.94 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.862 -0.608 . . . . 4.7300000000000004 110.602 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 8.7 p -54.32 153.69 5.17 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.085 0.469 . . . . 2.9700000000000002 111.619 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 57.2 m -72.16 -173.18 1.01 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.84 -0.618 . . . . 0.71999999999999997 111.866 -176.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 5.6 tp -50.05 158.9 0.48 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.645 0.778 . . . . 0.52000000000000002 111.696 -179.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 15.0 t70 -69.31 -22.29 63.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.075 0.464 . . . . 2.3199999999999998 110.444 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 12.7 p -101.71 3.22 39.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.027 -0.533 . . . . 0.52000000000000002 110.807 173.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -106.36 163.21 13.02 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.478 0.656 . . . . 1.02 111.11 176.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 70.1 t80 -116.96 149.22 40.57 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.061 -0.972 . . . . 0.40999999999999998 109.593 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 11.6 m -105.42 103.23 12.72 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.937 -0.574 . . . . 0.31 110.074 -177.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1116 ' ' CYS . . . . . 0.5 ' HB2' ' HB3' ' A' 1120 ' ' GLN . 38.0 m -72.31 174.88 6.69 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.582 -0.735 . . . . 0.65000000000000002 111.485 -176.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -56.83 -45.85 82.07 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.077 0.399 . . . . 2.6200000000000001 112.077 -174.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -88.18 25.39 1.62 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.131 0.491 . . . . 2.75 110.224 -177.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 34.2 m80 61.35 39.96 14.75 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.763 -0.653 . . . . 1.05 111.07 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1120 ' ' GLN . . . . . 0.5 ' HB3' ' HB2' ' A' 1116 ' ' CYS . 60.2 tt0 -92.4 137.84 32.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.827 -0.624 . . . . 1.9099999999999999 109.466 175.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 71.4 m -101.36 103.48 14.43 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.914 0.388 . . . . 0.41999999999999998 111.212 -177.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 45.1 pt -105.54 173.03 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.221 -0.659 . . . . 0.19 109.221 173.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 29.0 t -75.66 145.04 41.32 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.704 -0.48 . . . . 0.33000000000000002 109.704 174.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 87.3 mttt -64.01 -18.27 64.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.758 0.313 . . . . 1.24 110.549 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -78.14 -12.81 60.02 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.261 -0.427 . . . . 1.75 110.46 177.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1126 ' ' TRP . . . . . 0.425 ' HB3' ' OD2' ' A' 1133 ' ' ASP . 47.1 m0 -93.55 -9.96 36.45 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 116.204 -0.453 . . . . 0.57999999999999996 110.479 178.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 59.9 t -74.21 126.29 34.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 116.48 -0.327 . . . . 0.23999999999999999 110.951 -178.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 11.2 t 58.86 55.36 4.61 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 122.371 1.081 . . . . 0.57999999999999996 109.683 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -122.62 15.21 10.26 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.743 -1.117 . . . . 0.46000000000000002 109.866 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 69.9 p 58.89 30.5 20.23 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.218 1.007 . . . . 0.72999999999999998 111.869 -178.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 35.6 t70 -129.08 135.65 49.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.845 -0.616 . . . . 1.21 109.606 174.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 7.8 t30 -84.71 82.42 8.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.299 0.571 . . . . 2.5800000000000001 110.746 -175.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1133 ' ' ASP . . . . . 0.425 ' OD2' ' HB3' ' A' 1126 ' ' TRP . 0.0 OUTLIER -98.04 -30.91 12.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.725 -0.67 . . . . 1.28 111.058 -178.448 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1134 ' ' CYS . . . . . 0.752 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 10.4 m -77.83 13.02 1.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.596 0.591 . . . . 1.5700000000000001 112.596 178.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 77.2 -66.38 2.9 Favored Glycine 0 CA--C 1.517 0.174 0 C-N-CA 120.913 -0.661 . . . . 1.6799999999999999 112.626 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 16.1 t70 -85.2 -21.8 28.99 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.286 0.565 . . . . 2.8500000000000001 110.465 176.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 94.5 28.01 11.0 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.681 -0.771 . . . . 0.62 111.605 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1138 ' ' SER . . . . . . . . . . . . . 1.6 p -71.35 -0.75 10.86 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.836 0.31 . . . . 0.44 111.836 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1139 ' ' ASP . . . . . 0.752 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 4.3 p-10 -98.18 -21.09 16.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.445 0.641 . . . . 0.33000000000000002 109.677 174.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -97.87 -23.35 15.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.55 -0.75 . . . . 0.44 110.241 -178.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1141 ' ' LYS . . . . . . . . . . . . . 53.7 pttt -62.96 -22.47 66.83 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.494 0.664 . . . . 1.55 110.687 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -116.88 35.88 4.43 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.174 -0.921 . . . . 2.0499999999999998 109.789 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 42.3 t -82.84 -28.12 30.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.307 -0.86 . . . . 1.6699999999999999 110.655 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -99.79 -5.76 28.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.045 0.45 . . . . 4.5899999999999999 110.655 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 2.6 p -114.52 153.45 30.0 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.026 -0.534 . . . . 5.4000000000000004 110.548 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 18.1 p -78.41 111.66 14.64 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.203 -0.453 . . . . 8.1500000000000004 110.957 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1147 ' ' GLU . . . . . 0.421 ' H ' ' CD ' ' A' 1147 ' ' GLU . 0.0 OUTLIER -82.65 -24.96 33.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.908 -0.587 . . . . 9.8699999999999992 109.605 178.367 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 12.2 p . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.052 -0.976 . . . . 11.119999999999999 111.53 -179.23 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 121.039 0.447 . . . . 12.26 110.619 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 55.4 t-80 65.91 104.8 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.735 -0.666 . . . . 11.34 110.861 -177.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -64.11 121.51 72.13 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.939 -0.573 . . . . 8.3000000000000007 109.713 175.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -55.36 135.63 69.96 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.476 2.117 . . . . 6.0899999999999999 111.41 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -76.81 64.9 2.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.33 0.586 . . . . 4.7300000000000004 110.657 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 4.6 p -80.92 172.83 13.25 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.588 -0.733 . . . . 2.9700000000000002 110.867 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 60.9 m -77.73 -167.47 0.98 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.986 -0.552 . . . . 0.71999999999999997 111.644 -177.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1110 ' ' LEU . . . . . . . . . . . . . 7.2 tp -51.7 157.88 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.442 -0.799 . . . . 0.52000000000000002 111.304 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -65.9 -26.54 67.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.926 0.393 . . . . 2.3199999999999998 110.691 178.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 12.5 p -98.97 -1.32 40.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.289 0.566 . . . . 0.52000000000000002 110.657 175.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -100.49 162.11 13.15 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.493 0.663 . . . . 1.02 111.069 177.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 86.2 t80 -108.78 149.72 28.64 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 114.901 -1.045 . . . . 0.40999999999999998 108.998 175.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 6.3 m -109.42 102.53 11.41 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.884 -0.598 . . . . 0.31 109.53 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1116 ' ' CYS . . . . . . . . . . . . . 35.7 m -67.53 168.78 10.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.848 -0.615 . . . . 0.65000000000000002 110.968 -177.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.22 -37.45 83.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.18 0.515 . . . . 2.6200000000000001 110.396 -179.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -85.2 14.67 4.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.814 -0.63 . . . . 2.75 110.609 178.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 43.2 m80 66.73 26.73 9.48 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.677 -0.692 . . . . 1.05 111.99 175.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1120 ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -78.85 141.53 37.62 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.472 -0.566 . . . . 1.9099999999999999 109.472 173.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 73.1 m -105.94 102.17 11.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.945 0.403 . . . . 0.41999999999999998 111.199 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 50.6 pt -112.31 178.72 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.129 -0.487 . . . . 0.19 109.906 176.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 28.0 t -75.47 146.32 40.74 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.096 -0.335 . . . . 0.33000000000000002 110.096 175.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 65.0 mttm -66.64 -23.87 66.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.441 -0.345 . . . . 1.24 110.621 175.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 13.6 m120 -71.86 -18.22 62.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 1.75 110.681 178.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 45.1 m0 -87.57 -12.33 46.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.078 -0.51 . . . . 0.57999999999999996 110.831 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 59.6 t -68.7 117.47 11.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.399 -0.364 . . . . 0.23999999999999999 110.9 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1128 ' ' CYS . . . . . 0.454 ' HA ' ' OE1' ' A' 1140 ' ' GLU . 49.6 t 61.3 50.19 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.5 -0.773 . . . . 0.57999999999999996 110.515 178.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -108.34 24.22 13.35 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.617 -0.72 . . . . 0.46000000000000002 109.224 177.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 39.9 p 54.92 34.86 23.14 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.606 -1.179 . . . . 0.72999999999999998 112.064 -179.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 13.5 t70 -146.19 129.83 17.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.855 -0.611 . . . . 1.21 109.717 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 26.9 t30 -71.25 117.45 12.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.708 0.29 . . . . 2.5800000000000001 111.576 -175.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -119.15 -26.18 5.99 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.898 0.333 . . . . 1.28 111.898 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1134 ' ' CYS . . . . . 0.644 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 84.0 m -87.25 16.86 4.78 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.16 0.429 . . . . 1.5700000000000001 112.16 -177.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 80.84 -64.37 4.12 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.56 -0.828 . . . . 1.6799999999999999 111.834 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -79.18 -38.45 35.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.215 0.531 . . . . 2.8500000000000001 110.232 174.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 112.07 27.87 3.82 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.638 -0.71 . . . . 0.62 112.792 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1138 ' ' SER . . . . . 0.429 ' HA ' ' HG2' ' A' 1141 ' ' LYS . 76.8 p -65.24 -22.29 66.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.739 0.304 . . . . 0.44 111.561 -177.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1139 ' ' ASP . . . . . 0.644 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 8.2 p-10 -75.1 -24.92 58.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.127 0.489 . . . . 0.33000000000000002 110.354 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1140 ' ' GLU . . . . . 0.454 ' OE1' ' HA ' ' A' 1128 ' ' CYS . 80.7 mm-40 -90.53 -26.36 19.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.954 -0.566 . . . . 0.44 110.209 177.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1141 ' ' LYS . . . . . 0.429 ' HG2' ' HA ' ' A' 1138 ' ' SER . 15.4 pttp -78.47 -38.44 41.03 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.423 -0.353 . . . . 1.55 110.369 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 63.4 t30 -86.93 56.75 4.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.727 0.775 . . . . 2.0499999999999998 109.654 -179.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 48.9 t -118.03 -31.08 5.16 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.249 -0.887 . . . . 1.6699999999999999 110.082 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -88.72 72.56 8.63 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.74 0.781 . . . . 4.5899999999999999 110.798 -178.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 11.9 p -89.92 -69.27 0.73 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.624 -0.717 . . . . 5.4000000000000004 110.461 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 44.0 p -91.45 31.88 1.12 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.729 -0.669 . . . . 8.1500000000000004 110.956 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -59.46 -27.26 65.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.573 -0.74 . . . . 9.8699999999999992 110.921 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 25.9 p . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 115.819 -0.628 . . . . 11.119999999999999 111.27 -179.177 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 13.0 m . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 121.324 0.583 . . . . 12.26 110.6 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 30.6 m80 -138.06 91.63 2.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.98 -0.554 . . . . 11.34 109.916 178.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -89.45 130.49 43.45 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.975 -0.557 . . . . 8.3000000000000007 111.022 -177.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.98 149.54 89.31 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.67 2.247 . . . . 6.0899999999999999 111.133 173.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -78.5 51.42 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.354 0.597 . . . . 4.7300000000000004 111.22 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 10.6 p -86.05 168.03 14.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.525 -0.762 . . . . 2.9700000000000002 110.267 178.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 57.8 m -77.78 -178.21 5.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.904 0.383 . . . . 0.71999999999999997 110.785 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1110 ' ' LEU . . . . . 0.632 ' HB2' HE21 ' A' 1113 ' ' GLN . 8.8 tp -67.33 167.06 13.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.928 -0.578 . . . . 0.52000000000000002 110.575 -179.116 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -69.22 -38.85 78.75 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.668 -0.493 . . . . 2.3199999999999998 109.668 176.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 10.4 p -86.02 -4.49 59.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.877 -0.602 . . . . 0.52000000000000002 111.359 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1113 ' ' GLN . . . . . 0.632 HE21 ' HB2' ' A' 1110 ' ' LEU . 24.4 mt-30 -92.62 158.02 16.18 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.549 0.69 . . . . 1.02 111.325 177.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 74.0 t80 -110.07 148.66 31.3 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.817 -1.083 . . . . 0.40999999999999998 109.616 178.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 7.2 m -104.18 113.34 26.82 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.65 -0.705 . . . . 0.31 110.195 -178.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1116 ' ' CYS . . . . . 0.549 ' SG ' ' HB3' ' A' 1120 ' ' GLN . 88.2 m -59.84 152.12 23.98 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.875 -0.602 . . . . 0.65000000000000002 110.541 174.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 36.4 t70 -66.82 -15.13 63.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.392 0.615 . . . . 2.6200000000000001 110.197 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -100.42 16.55 24.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.559 -0.746 . . . . 2.75 110.189 176.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 41.7 m170 61.13 77.53 0.32 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.221 -0.9 . . . . 1.05 111.35 -178.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1120 ' ' GLN . . . . . 0.549 ' HB3' ' SG ' ' A' 1116 ' ' CYS . 52.5 tt0 -145.18 144.2 30.73 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.109 -0.7 . . . . 1.9099999999999999 109.109 176.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 66.8 m -100.72 109.12 21.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.046 0.45 . . . . 0.41999999999999998 111.598 -175.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 40.5 pt -119.74 -179.13 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.081 -0.711 . . . . 0.19 109.081 172.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 36.5 t -84.94 144.02 28.61 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.881 -0.328 . . . . 0.33000000000000002 110.346 177.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 66.5 mttm -65.24 -19.79 66.13 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.069 0.462 . . . . 1.24 110.594 176.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -79.35 -7.03 58.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.956 -0.565 . . . . 1.75 110.558 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 52.9 m0 -101.0 -7.62 23.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.926 -0.579 . . . . 0.57999999999999996 110.561 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 92.2 t -67.39 117.56 9.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.965 -0.561 . . . . 0.23999999999999999 111.317 -178.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1128 ' ' CYS . . . . . . . . . . . . . 37.6 t 66.33 44.07 2.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.575 -0.739 . . . . 0.57999999999999996 111.013 176.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -106.78 21.52 17.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.63 -0.714 . . . . 0.46000000000000002 109.65 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 68.6 p 58.44 33.65 23.3 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.3 1.04 . . . . 0.72999999999999998 111.875 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 12.3 t70 -141.62 138.43 32.56 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.128 -0.487 . . . . 1.21 110.473 175.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -86.95 73.14 9.98 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.871 0.367 . . . . 2.5800000000000001 110.827 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -62.39 -21.49 65.4 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.406 0.622 . . . . 1.28 110.838 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1134 ' ' CYS . . . . . . . . . . . . . 14.1 t -100.31 6.28 44.58 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.346 -0.843 . . . . 1.5700000000000001 110.963 -173.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . 74.14 -73.25 1.32 Allowed Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 110.102 -1.199 . . . . 1.6799999999999999 110.102 -170.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 22.6 t0 -90.95 88.59 7.09 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.854 -1.165 . . . . 2.8500000000000001 107.854 167.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -68.29 80.09 0.21 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.378 -0.828 . . . . 0.62 114.245 -171.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1138 ' ' SER . . . . . . . . . . . . . 57.0 p -68.05 -18.58 64.72 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.271 -0.64 . . . . 0.44 109.271 171.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1139 ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -72.59 -21.37 61.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.308 -0.86 . . . . 0.33000000000000002 110.294 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1140 ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -92.17 -35.27 13.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.009 -0.541 . . . . 0.44 109.918 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1141 ' ' LYS . . . . . . . . . . . . . 13.7 pttp -72.17 -29.55 64.13 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.974 -0.557 . . . . 1.55 110.502 -178.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -85.47 43.22 1.01 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.673 0.749 . . . . 2.0499999999999998 109.306 178.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1143 ' ' CYS . . . . . . . . . . . . . 49.9 t -141.01 10.13 2.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.333 -0.849 . . . . 1.6699999999999999 110.371 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -135.11 176.98 8.17 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.453 -0.573 . . . . 4.5899999999999999 109.453 177.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 66.7 p 52.04 -160.5 0.1 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.427 0.691 . . . . 5.4000000000000004 111.62 -176.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 19.0 p -80.14 64.79 5.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.831 0.348 . . . . 8.1500000000000004 111.775 -177.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.11 -38.49 85.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.132 0.491 . . . . 9.8699999999999992 110.557 178.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.323 -0.555 0 N-CA-C 108.768 -0.827 . . . . 11.119999999999999 108.768 -176.933 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1103 ' ' THR . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.473 0.71 0 CA-C-O 120.958 0.409 . . . . 12.26 110.704 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1104 ' ' HIS . . . . . . . . . . . . . 70.1 m80 -81.73 -28.45 33.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.136 0.493 . . . . 11.34 110.06 178.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1105 ' ' ALA . . . . . . . . . . . . . . . -85.34 141.56 37.06 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.496 -0.774 . . . . 8.3000000000000007 110.933 -178.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1106 ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -68.66 120.43 7.35 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.449 2.099 . . . . 6.0899999999999999 110.756 172.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1107 ' ' ALA . . . . . . . . . . . . . . . -137.37 -167.65 2.15 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.413 -0.358 . . . . 4.7300000000000004 111.169 -174.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 5.8 p -67.81 161.91 25.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.062 -0.517 . . . . 2.9700000000000002 111.066 177.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1109 ' ' CYS . . . . . . . . . . . . . 86.4 m -78.8 -173.83 3.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.35 -0.386 . . . . 0.71999999999999997 110.591 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1110 ' ' LEU . . . . . 0.412 ' HB3' ' HG3' ' A' 1113 ' ' GLN . 11.6 tp -63.74 168.9 4.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.832 0.349 . . . . 0.52000000000000002 111.583 -177.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1111 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -61.58 -43.98 97.86 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.123 -0.49 . . . . 2.3199999999999998 110.023 175.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1112 ' ' THR . . . . . . . . . . . . . 23.7 p -100.41 14.84 29.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.52000000000000002 111.794 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1113 ' ' GLN . . . . . 0.412 ' HG3' ' HB3' ' A' 1110 ' ' LEU . 73.0 mt-30 -100.04 161.37 13.65 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.598 0.713 . . . . 1.02 111.704 174.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1114 ' ' TYR . . . . . . . . . . . . . 80.0 t80 -110.99 150.06 29.81 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.588 -1.187 . . . . 0.40999999999999998 109.099 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1115 ' ' THR . . . . . . . . . . . . . 17.0 m -104.13 112.15 25.04 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.165 -0.47 . . . . 0.31 109.853 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1116 ' ' CYS . . . . . 0.458 ' HB2' ' HB3' ' A' 1120 ' ' GLN . 80.7 m -73.35 -179.63 3.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.022 -0.536 . . . . 0.65000000000000002 112.107 -177.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1117 ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -60.31 -38.98 85.38 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.969 -0.559 . . . . 2.6200000000000001 111.801 -175.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1118 ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -103.44 33.1 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.665 0.246 . . . . 2.75 111.665 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1119 ' ' HIS . . . . . . . . . . . . . 50.1 m80 63.93 28.31 14.48 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.182 -0.463 . . . . 1.05 111.981 177.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1120 ' ' GLN . . . . . 0.458 ' HB3' ' HB2' ' A' 1116 ' ' CYS . 6.5 tp-100 -82.32 137.1 34.89 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.126 -0.694 . . . . 1.9099999999999999 109.126 174.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1121 ' ' CYS . . . . . . . . . . . . . 73.0 m -99.09 108.88 21.63 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.162 0.506 . . . . 0.41999999999999998 111.258 -177.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1122 ' ' ILE . . . . . . . . . . . . . 41.1 pt -113.58 170.23 4.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.097 -0.705 . . . . 0.19 109.097 174.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1123 ' ' SER . . . . . . . . . . . . . 32.0 t -79.15 144.63 34.3 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 110.146 -0.316 . . . . 0.33000000000000002 110.146 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1124 ' ' LYS . . . . . . . . . . . . . 60.6 mttm -64.15 -16.61 62.23 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.205 -0.452 . . . . 1.24 110.742 176.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1125 ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -73.68 -19.71 60.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.099 0.476 . . . . 1.75 110.173 177.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1126 ' ' TRP . . . . . . . . . . . . . 44.5 m0 -88.19 -13.07 42.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.945 -0.57 . . . . 0.57999999999999996 110.417 -178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1127 ' ' VAL . . . . . . . . . . . . . 98.9 t -67.26 120.17 14.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.845 -0.616 . . . . 0.23999999999999999 110.401 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1128 ' ' CYS . . . . . 0.458 ' HA ' ' OE1' ' A' 1140 ' ' GLU . 53.7 t 62.49 57.07 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.792 0.806 . . . . 0.57999999999999996 110.44 -178.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -118.99 17.56 13.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.274 -0.875 . . . . 0.46000000000000002 109.392 175.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1130 ' ' THR . . . . . . . . . . . . . 70.0 p 58.0 41.59 24.04 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 114.937 -1.029 . . . . 0.72999999999999998 111.66 -178.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1131 ' ' ASP . . . . . . . . . . . . . 12.9 t70 -146.46 140.32 26.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.594 -0.73 . . . . 1.21 109.714 173.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1132 ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -84.1 81.27 8.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.083 0.468 . . . . 2.5800000000000001 111.09 -176.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1133 ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -76.99 -35.29 57.28 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.065 -0.717 . . . . 1.28 109.065 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1134 ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' 1139 ' ' ASP . 81.6 m -92.82 162.85 13.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.081 -0.963 . . . . 1.5700000000000001 109.797 174.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1135 ' ' GLY . . . . . . . . . . . . . . . -62.28 119.21 16.91 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.796 -0.716 . . . . 1.6799999999999999 111.58 177.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1136 ' ' ASP . . . . . . . . . . . . . 36.6 t70 70.41 0.06 3.07 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.362 0.665 . . . . 2.8500000000000001 111.013 -177.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . 79.21 50.67 5.68 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 121.016 -0.611 . . . . 0.62 112.79 176.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1138 ' ' SER . . . . . 0.488 ' O ' ' HG2' ' A' 1141 ' ' LYS . 71.3 p -64.99 -20.93 66.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.003 0.43 . . . . 0.44 110.359 177.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1139 ' ' ASP . . . . . 0.433 ' HB3' ' SG ' ' A' 1134 ' ' CYS . 7.0 p-10 -78.24 -19.79 53.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.33000000000000002 110.639 177.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1140 ' ' GLU . . . . . 0.458 ' OE1' ' HA ' ' A' 1128 ' ' CYS . 74.3 mm-40 -94.73 -31.88 13.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.944 0.402 . . . . 0.44 110.439 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1141 ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' 1138 ' ' SER . 19.7 pttp -60.45 -28.44 68.3 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.972 -0.558 . . . . 1.55 112.117 -172.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1142 ' ' ASN . . . . . . . . . . . . . 10.2 p30 -82.46 -3.71 56.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.142 0.496 . . . . 2.0499999999999998 110.775 -178.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1143 ' ' CYS . . . . . 0.413 ' HB2' ' HB2' ' A' 1128 ' ' CYS . 23.4 t -109.76 72.29 0.79 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.975 -0.557 . . . . 1.6699999999999999 110.211 -177.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1144 ' ' ASN . . . . . . . . . . . . . 9.4 p30 -70.72 148.79 47.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.75 -0.659 . . . . 4.5899999999999999 110.536 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 65.1 p -114.9 171.39 7.68 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.971 -0.559 . . . . 5.4000000000000004 109.789 177.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1146 ' ' THR . . . . . . . . . . . . . 6.6 p -78.35 59.41 2.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.17 0.509 . . . . 8.1500000000000004 111.373 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1147 ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -83.59 -18.76 37.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.931 -0.577 . . . . 9.8699999999999992 110.651 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1148 ' ' THR . . . . . . . . . . . . . 27.0 m . . . . . 0 N--CA 1.451 -0.415 0 CA-C-O 121.541 0.686 . . . . 11.119999999999999 110.653 -179.135 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1201 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_