data_2m30_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 2m30 _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 ' 10' ' ' THR . . . . . . . . . . . . . 62.6 p . . . . . 0 CA--C 1.482 -1.658 0 CA-C-O 111.826 -3.94 . . . . 0.0 115.459 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 56.7 -40.16 0.03 OUTLIER 'General case' 0 C--O 1.265 1.882 0 C-N-CA 130.377 3.471 . . . . 0.0 118.668 -175.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 p -150.04 -18.25 0.25 Allowed 'General case' 0 C--O 1.245 0.838 0 C-N-CA 126.144 1.778 . . . . 0.0 113.236 -171.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . 0.273 1.0 OUTLIER -61.51 -35.79 78.69 Favored 'General case' 0 CA--C 1.583 2.243 0 CA-C-O 125.72 2.676 . . . . 0.0 116.48 -163.903 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -82.5 -18.71 40.63 Favored 'General case' 0 N--CA 1.512 2.655 0 CA-C-N 109.199 -3.637 . . . . 0.0 108.531 -176.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -74.44 -9.7 58.85 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-O 114.874 -2.489 . . . . 0.0 111.583 161.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.481 HG13 ' CZ ' ' A' ' 20' ' ' PHE . 48.5 t -94.06 -33.22 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.314 0 CA-C-N 121.376 1.898 . . . . 0.0 113.334 173.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.432 ' HA ' ' CD2' ' A' ' 20' ' ' PHE . 66.9 p -57.32 -28.98 63.56 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 118.888 -2.383 . . . . 0.0 111.578 158.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -68.39 -11.66 59.96 Favored 'General case' 0 N--CA 1.407 -2.624 0 CA-C-N 122.189 2.268 . . . . 0.0 114.374 173.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.391 0.0 OUTLIER -102.06 -4.36 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.916 0 CA-C-N 120.869 1.668 . . . . 0.0 114.092 161.771 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.481 ' CZ ' HG13 ' A' ' 16' ' ' VAL . 17.4 m-85 -85.68 -36.19 20.41 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 170.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -71.95 60.81 0.4 Allowed 'General case' 0 C--N 1.284 -2.267 0 C-N-CA 131.336 3.855 . . . . 0.0 108.57 160.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -168.69 -14.03 0.02 OUTLIER 'General case' 0 CA--C 1.583 2.224 1 CA-C-N 107.563 -4.38 . . . . 0.0 108.89 174.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 66.2 mt -104.96 -131.83 0.3 Allowed 'General case' 0 C--O 1.265 1.917 1 C-N-CA 132.105 4.162 . . . . 0.0 110.041 -172.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.26 -0.44 53.88 Favored Glycine 1 N--CA 1.539 5.554 0 N-CA-C 119.868 2.707 . . . . 0.0 119.868 164.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -144.92 161.45 39.29 Favored 'General case' 0 C--O 1.174 -2.877 0 C-N-CA 125.379 1.471 . . . . 0.0 107.7 -173.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -81.83 -75.73 0.28 Allowed 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 117.698 -1.144 . . . . 0.0 113.764 -170.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -65.9 -39.09 90.28 Favored 'General case' 0 CA--C 1.578 2.04 0 CA-C-O 114.477 -2.678 . . . . 0.0 110.365 -170.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -22.6 -41.26 0.0 OUTLIER 'General case' 0 CA--C 1.562 1.437 0 C-N-CA 127.671 2.388 . . . . 0.0 115.173 164.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.6 pt -114.58 -11.01 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.248 0 C-N-CA 125.39 1.476 . . . . 0.0 112.925 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.8 ttp85 -71.87 -29.62 64.57 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 127.497 2.319 . . . . 0.0 112.771 163.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.3 mt -58.41 -52.89 53.75 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.095 0 C-N-CA 129.501 3.12 . . . . 0.0 108.289 164.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 70.5 mtm -79.54 -41.06 28.12 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 114.445 -1.252 . . . . 0.0 113.16 -165.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.492 ' H ' HD13 ' A' ' 91' ' ' LEU . 7.9 tm-20 -22.2 -64.82 0.03 OUTLIER 'General case' 0 N--CA 1.532 3.667 0 CA-C-N 120.943 1.701 . . . . 0.0 115.361 144.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.3 -49.65 68.7 Favored 'General case' 0 CA--C 1.607 3.167 0 CA-C-N 118.074 0.397 . . . . 0.0 111.983 177.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.1 mt -50.73 -26.1 5.16 Favored 'General case' 0 C--O 1.188 -2.164 0 O-C-N 117.303 -3.373 . . . . 0.0 109.876 171.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.3 1.4 m -71.84 -0.79 12.1 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 117.717 2.488 . . . . 0.0 117.717 172.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.0 m -130.56 -39.07 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.377 1.798 0 C-N-CA 126.741 2.016 . . . . 0.0 114.644 161.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.02 147.54 47.99 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 116.145 -1.884 . . . . 0.0 109.818 175.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -88.83 125.0 34.71 Favored 'General case' 0 N--CA 1.496 1.829 1 C-N-CA 133.944 4.897 . . . . 0.0 115.023 -178.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -141.37 154.12 45.46 Favored 'General case' 0 CA--C 1.573 1.84 0 C-N-CA 116.534 -2.066 . . . . 0.0 110.49 -175.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.0 t -115.58 159.71 20.93 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 115.089 -2.386 . . . . 0.0 117.115 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.5 t -8.73 -64.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 C-N-CA 128.713 2.805 . . . . 0.0 117.018 173.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.6 -45.75 74.46 Favored Glycine 0 C--N 1.381 3.034 0 C-N-CA 117.56 -2.257 . . . . 0.0 113.909 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -74.41 -31.4 62.31 Favored 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 117.112 2.264 . . . . 0.0 117.112 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.0 mt -57.71 -56.21 16.88 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.615 0 CA-C-N 121.897 2.135 . . . . 0.0 107.138 166.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.2 m -51.79 -27.29 11.8 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 125.18 1.392 . . . . 0.0 113.492 174.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -82.19 -59.3 2.6 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 118.735 -2.478 . . . . 0.0 111.223 167.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -68.34 -34.83 76.8 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 127.069 2.148 . . . . 0.0 112.302 -170.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 mp -100.36 5.03 44.34 Favored 'General case' 0 CA--C 1.582 2.189 0 CA-C-N 124.901 3.5 . . . . 0.0 112.987 176.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.1 m120 48.49 62.42 2.56 Favored 'General case' 0 CA--C 1.58 2.119 0 C-N-CA 129.207 3.003 . . . . 0.0 111.945 -170.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.6 mt -108.85 -152.46 0.49 Allowed 'General case' 0 N--CA 1.502 2.135 0 C-N-CA 126.18 1.792 . . . . 0.0 110.926 -172.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.4 p -146.58 154.15 41.17 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.644 -1.285 . . . . 0.0 112.833 174.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -81.96 -34.92 29.53 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-N 120.796 1.635 . . . . 0.0 114.642 -163.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 p -48.85 -50.99 32.11 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 119.977 -1.702 . . . . 0.0 115.406 160.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -63.8 -50.65 68.16 Favored 'General case' 0 C--O 1.175 -2.846 0 N-CA-C 119.732 3.234 . . . . 0.0 119.732 172.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.6 t -65.86 -36.91 78.65 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.973 0 O-C-N 119.192 -2.193 . . . . 0.0 112.107 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.7 m -60.57 6.88 0.03 OUTLIER 'General case' 0 N--CA 1.515 2.816 0 CA-C-O 114.411 -2.709 . . . . 0.0 112.754 165.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -122.98 -34.94 3.09 Favored 'General case' 0 C--O 1.285 2.958 0 CA-C-N 122.265 2.302 . . . . 0.0 107.893 168.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -86.32 -45.13 11.52 Favored 'General case' 0 CA--C 1.566 1.578 0 CA-C-O 115.426 -2.226 . . . . 0.0 114.373 -175.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.412 HD22 ' CG ' ' A' ' 80' ' ' TYR . 9.5 tp -54.22 -38.11 65.34 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.331 1.453 . . . . 0.0 113.847 166.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -70.44 -52.02 25.16 Favored 'General case' 0 C--O 1.171 -3.053 0 CA-C-O 113.559 -3.115 . . . . 0.0 110.804 171.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -49.96 -54.76 17.84 Favored 'General case' 0 N--CA 1.509 2.488 1 CA-C-N 126.213 4.097 . . . . 0.0 111.188 172.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . 0.267 21.2 mt -65.81 -36.83 84.62 Favored 'General case' 0 N--CA 1.422 -1.825 0 C-N-CA 123.007 0.523 . . . . 0.0 111.724 -170.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -54.52 -54.53 39.94 Favored 'General case' 0 N--CA 1.51 2.527 0 O-C-N 128.909 3.881 . . . . 0.0 112.335 168.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.3 4.96 7.76 Favored 'General case' 0 N--CA 1.504 2.245 0 N-CA-C 118.724 2.861 . . . . 0.0 118.724 173.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.5 m -124.27 18.14 4.63 Favored 'Isoleucine or valine' 0 C--O 1.262 1.723 0 O-C-N 126.734 2.521 . . . . 0.0 115.079 166.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.353 4.0 p80 58.3 25.92 13.33 Favored 'General case' 0 C--N 1.357 0.916 0 CA-C-O 112.683 -3.532 . . . . 0.0 113.436 171.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.0 mp -89.0 -12.98 39.9 Favored 'General case' 0 N--CA 1.418 -2.069 0 CA-C-N 124.362 3.256 . . . . 0.0 112.384 160.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 t -125.65 150.41 30.95 Favored 'Isoleucine or valine' 0 C--O 1.179 -2.638 0 CA-C-N 113.668 -1.605 . . . . 0.0 110.267 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -140.1 128.34 22.49 Favored 'General case' 0 CA--C 1.606 3.124 0 C-N-CA 130.803 3.641 . . . . 0.0 110.187 169.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.06 163.77 23.92 Favored 'General case' 0 CA--C 1.566 1.579 0 CA-C-O 124.694 2.188 . . . . 0.0 108.296 175.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -143.69 125.06 14.69 Favored 'General case' 0 N--CA 1.482 1.153 1 O-C-N 115.115 -4.741 . . . . 0.0 113.192 162.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 . . . . . 0 CA--C 1.474 -1.958 0 C-N-CA 126.684 1.994 . . . . 0.0 108.272 -172.997 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 14.4 mtt . . . . . 0 CA--C 1.563 1.47 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.5 mm -71.85 149.41 9.35 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.267 0 C-N-CA 126.536 1.934 . . . . 0.0 107.608 160.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.412 ' CG ' HD22 ' A' ' 60' ' ' LEU . 2.5 m-85 -134.52 159.71 40.3 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 172.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.2 m -148.19 166.15 28.76 Favored 'General case' 0 C--O 1.267 2.01 0 C-N-CA 127.755 2.422 . . . . 0.0 109.802 -163.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.32 161.12 0.99 Allowed 'General case' 0 C--N 1.38 1.916 0 CA-C-N 120.957 1.708 . . . . 0.0 111.682 151.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -75.41 -48.1 24.42 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 114.53 1.308 . . . . 0.0 114.53 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.426 ' OD1' ' HB2' ' A' ' 86' ' ' HIS . 13.6 p30 -150.43 -175.99 5.31 Favored 'General case' 0 CA--C 1.582 2.186 0 CA-C-O 124.791 2.234 . . . . 0.0 111.707 164.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.2 tp -71.38 -14.0 17.39 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.476 0 C-N-CA 128.031 2.532 . . . . 0.0 108.449 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.426 ' HB2' ' OD1' ' A' ' 84' ' ' ASP . 23.5 m170 -65.11 -58.5 5.89 Favored 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 125.204 1.402 . . . . 0.0 112.165 169.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . 0.277 0.5 OUTLIER -65.83 -40.68 88.33 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.21 0 C-N-CA 126.755 2.022 . . . . 0.0 113.49 176.736 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.48 -29.7 17.32 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 162.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . 0.281 36.6 m -84.89 -34.43 22.58 Favored 'General case' 0 CA--C 1.604 3.044 0 O-C-N 119.157 -2.214 . . . . 0.0 116.395 175.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.1 ttt -53.3 -63.99 0.97 Allowed 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 126.463 2.352 . . . . 0.0 111.943 167.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.492 HD13 ' H ' ' A' ' 33' ' ' GLU 0.265 4.1 tt -68.05 -37.1 80.93 Favored 'General case' 0 CA--C 1.575 1.916 0 CA-C-O 115.304 -2.284 . . . . 0.0 110.523 -171.882 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -73.07 -33.44 65.65 Favored 'General case' 0 N--CA 1.529 3.494 0 CA-C-N 123.428 2.831 . . . . 0.0 109.0 177.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -73.6 -17.24 61.2 Favored 'General case' 0 C--O 1.188 -2.147 0 CA-C-N 122.524 2.42 . . . . 0.0 115.764 172.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.51 ' C ' ' H ' ' A' ' 96' ' ' HIS . . . -79.09 -45.66 19.62 Favored 'General case' 0 CA--C 1.569 1.711 0 CA-C-O 123.695 1.712 . . . . 0.0 108.743 177.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.37 11.75 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 C-N-CA 130.044 3.338 . . . . 0.0 108.785 172.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.51 ' H ' ' C ' ' A' ' 94' ' ' ALA . 2.2 m-70 -120.1 -27.35 5.33 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 116.455 -3.903 . . . . 0.0 114.594 169.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -92.95 -11.86 32.25 Favored 'General case' 0 CA--C 1.496 -1.123 0 O-C-N 119.492 -2.005 . . . . 0.0 111.535 174.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.16 -44.03 97.96 Favored 'General case' 0 CA--C 1.607 3.159 0 CA-C-N 120.026 1.284 . . . . 0.0 111.525 173.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 41.3 p-10 -136.04 155.53 50.08 Favored 'General case' 0 C--O 1.191 -2.013 0 O-C-N 117.667 -3.146 . . . . 0.0 107.727 170.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -132.81 69.69 79.17 Favored Pre-proline 0 C--O 1.19 -2.049 0 C-N-CA 126.357 1.863 . . . . 0.0 113.47 -175.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo . . . . . 0 C--N 1.362 1.273 0 O-C-N 117.945 -1.66 . . . . 0.0 115.805 -170.83 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 30.8 p . . . . . 0 N--CA 1.531 3.603 0 N-CA-C 118.776 2.88 . . . . 0.0 118.776 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 63.77 -53.79 0.23 Allowed 'General case' 0 C--N 1.289 -2.025 1 C-N-CA 133.153 4.581 . . . . 0.0 114.42 -176.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.2 p -95.58 -71.72 0.66 Allowed 'General case' 0 CA--C 1.563 1.477 0 C-N-CA 128.663 2.785 . . . . 0.0 107.293 -155.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -32.87 -56.67 0.38 Allowed 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 128.896 2.878 . . . . 0.0 112.716 168.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -69.61 0.89 4.72 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 126.183 1.793 . . . . 0.0 113.725 -173.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -124.48 -21.57 4.86 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 128.709 2.804 . . . . 0.0 112.613 173.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 17.0 m -95.08 -14.0 8.11 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.467 0 CA-C-N 123.499 2.863 . . . . 0.0 115.031 173.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.3 p -43.79 -45.92 7.49 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 122.495 2.407 . . . . 0.0 112.554 165.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -52.23 -39.45 60.31 Favored 'General case' 0 C--N 1.287 -2.142 0 CA-C-O 115.644 -2.122 . . . . 0.0 112.285 169.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 20.8 mt -72.45 -49.02 44.8 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.667 0 CA-C-O 115.97 -1.967 . . . . 0.0 110.186 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -88.81 -4.89 58.38 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 120.807 1.639 . . . . 0.0 112.064 -153.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 pttm -88.43 -39.7 14.06 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 153.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.22 -15.26 22.9 Favored 'General case' 0 N--CA 1.529 3.525 0 O-C-N 118.667 -2.52 . . . . 0.0 115.012 175.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 54.5 mt -65.59 -24.66 67.13 Favored 'General case' 0 C--N 1.383 2.046 0 CA-C-O 123.534 1.635 . . . . 0.0 111.699 177.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.27 43.63 0.1 OUTLIER Glycine 0 N--CA 1.502 3.058 1 N-CA-C 123.956 4.342 . . . . 0.0 123.956 -161.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -155.04 138.07 15.53 Favored 'General case' 0 C--N 1.359 1.019 1 CA-C-O 129.442 4.449 . . . . 0.0 107.094 167.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -69.84 -26.28 64.14 Favored 'General case' 0 N--CA 1.411 -2.4 0 O-C-N 118.365 -2.709 . . . . 0.0 105.837 -166.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -72.54 -51.02 21.69 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 127.658 2.383 . . . . 0.0 107.73 -173.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -46.56 -51.59 15.24 Favored 'General case' 0 CA--C 1.496 -1.121 0 C-N-CA 128.38 2.672 . . . . 0.0 112.076 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 mm -88.11 -31.45 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 CA-C-N 113.121 -1.854 . . . . 0.0 108.909 -165.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 46.1 ttt-85 -58.31 -26.97 63.66 Favored 'General case' 0 C--N 1.399 2.749 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.694 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 5.9 mt -72.83 -38.18 56.65 Favored 'Isoleucine or valine' 0 C--O 1.288 3.101 0 O-C-N 126.527 2.392 . . . . 0.0 111.942 174.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 62.9 mtm -84.96 -42.1 15.25 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 118.773 2.879 . . . . 0.0 118.773 -178.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -5.01 -70.88 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.73 0 N-CA-C 116.683 2.105 . . . . 0.0 116.683 130.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.78 -53.36 11.77 Favored 'General case' 0 N--CA 1.429 -1.516 0 O-C-N 118.313 -2.742 . . . . 0.0 110.259 -175.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 85.1 mt -47.07 -38.56 11.44 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 116.968 -3.582 . . . . 0.0 113.764 177.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' SER . . . . . 0.465 ' HB3' HD11 ' B' ' 82' ' ' LEU . 3.4 p -63.1 -17.19 62.03 Favored 'General case' 0 C--N 1.276 -2.625 0 C-N-CA 130.679 3.592 . . . . 0.0 114.787 176.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 23.6 m -114.86 -30.63 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 N-CA-C 116.915 2.191 . . . . 0.0 116.915 165.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 49.8 m -159.71 131.36 6.17 Favored 'General case' 0 N--CA 1.392 -3.325 0 C-N-CA 127.887 2.475 . . . . 0.0 112.734 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . 0.269 15.5 mt-10 -84.37 140.82 31.31 Favored 'General case' 0 N--CA 1.514 2.767 0 O-C-N 118.155 -2.841 . . . . 0.0 111.767 -171.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -139.8 154.52 47.39 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-N 110.422 -3.081 . . . . 0.0 111.575 168.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . 0.294 21.9 t -90.77 159.25 16.41 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 116.187 -1.864 . . . . 0.0 111.747 170.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 52.7 t -19.12 -58.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.363 1.194 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 168.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.79 -38.31 76.31 Favored Glycine 0 CA--C 1.553 2.426 0 C-N-CA 117.653 -2.213 . . . . 0.0 117.101 -176.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -72.46 -35.72 68.31 Favored 'General case' 0 C--O 1.162 -3.518 0 O-C-N 118.213 -2.934 . . . . 0.0 112.84 174.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.71 -45.43 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.685 0 C-N-CA 130.004 3.322 . . . . 0.0 103.47 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 65.5 m -59.1 -40.68 86.06 Favored 'General case' 0 N--CA 1.499 1.988 0 CA-C-O 118.047 -0.978 . . . . 0.0 111.358 175.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -70.85 -58.41 3.64 Favored 'General case' 0 N--CA 1.504 2.236 0 N-CA-C 115.841 1.793 . . . . 0.0 115.841 172.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -48.91 -41.28 33.16 Favored 'General case' 0 C--N 1.257 -3.421 0 C-N-CA 126.643 1.977 . . . . 0.0 112.101 173.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 6.1 mp -117.71 7.54 12.55 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.636 -1.29 . . . . 0.0 111.042 -166.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . 0.251 33.9 m120 66.71 30.12 8.3 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 125.749 1.62 . . . . 0.0 114.25 174.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 18.4 mt -106.66 157.82 17.42 Favored 'General case' 0 N--CA 1.531 3.622 0 CA-C-N 121.343 1.883 . . . . 0.0 106.709 -172.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -73.58 144.19 46.11 Favored 'General case' 0 CA--C 1.577 1.995 0 C-N-CA 124.903 1.281 . . . . 0.0 108.797 175.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -67.29 -28.5 68.06 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.577 -0.702 . . . . 0.0 111.469 172.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 74.1 m -67.2 -46.06 75.01 Favored 'General case' 0 N--CA 1.508 2.428 0 CA-C-O 124.399 2.047 . . . . 0.0 110.088 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -64.84 -55.6 18.52 Favored 'General case' 0 CA--C 1.496 -1.106 0 C-N-CA 127.252 2.221 . . . . 0.0 110.478 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.505 ' C ' ' H ' ' B' ' 58' ' ' HIS . 58.7 t -64.04 -35.83 74.85 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 CA-C-N 121.675 2.034 . . . . 0.0 108.131 178.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.1 m -51.37 -5.18 0.03 OUTLIER 'General case' 0 C--O 1.261 1.702 0 CA-C-N 123.419 2.827 . . . . 0.0 115.656 167.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . 0.505 ' H ' ' C ' ' B' ' 56' ' ' VAL . 78.3 t60 -128.55 -33.43 2.09 Favored 'General case' 1 CA--C 1.669 5.556 0 C-N-CA 126.64 1.976 . . . . 0.0 113.277 174.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -66.98 -40.08 87.33 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 121.257 1.844 . . . . 0.0 113.857 168.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.0 tp -66.25 -38.07 87.01 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.409 -0.807 . . . . 0.0 110.119 177.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -72.5 -34.41 67.61 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 126.179 2.895 . . . . 0.0 115.355 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . 0.266 1.5 tm? -63.16 -48.73 77.19 Favored 'General case' 0 CA--C 1.599 2.836 0 O-C-N 118.724 -2.485 . . . . 0.0 111.403 167.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 68.2 mt -59.84 -37.66 79.88 Favored 'General case' 0 C--O 1.264 1.834 0 O-C-N 119.209 -2.182 . . . . 0.0 113.113 -178.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -58.02 -55.6 32.78 Favored 'General case' 0 C--O 1.178 -2.669 0 CA-C-N 110.415 -3.084 . . . . 0.0 108.951 171.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.8 m -64.11 -10.03 20.08 Favored 'General case' 0 CA--C 1.583 2.244 0 C-N-CA 126.536 1.935 . . . . 0.0 115.095 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . 0.256 3.6 m -107.8 6.5 9.61 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.656 0 CA-C-O 123.942 1.83 . . . . 0.0 111.2 163.078 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . 0.266 85.2 m-70 64.4 18.0 11.09 Favored 'General case' 0 C--O 1.264 1.839 0 C-N-CA 126.086 1.754 . . . . 0.0 115.183 166.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 4.5 mp -72.36 -24.02 61.21 Favored 'General case' 0 N--CA 1.53 3.527 0 CA-C-O 118.103 -0.951 . . . . 0.0 109.738 158.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 t -116.58 151.98 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.824 0 CA-C-O 123.233 1.492 . . . . 0.0 108.75 -174.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . 0.311 0.1 OUTLIER -137.92 134.56 35.12 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 112.71 -2.041 . . . . 0.0 115.699 165.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.89 148.42 27.7 Favored 'General case' 0 CA--C 1.582 2.203 0 C-N-CA 126.268 1.827 . . . . 0.0 108.857 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 41.0 pttt . . . . . 0 N--CA 1.473 0.724 0 N-CA-C 115.929 1.826 . . . . 0.0 115.929 161.581 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 22.4 ttm . . . . . 0 C--O 1.257 1.456 0 CA-C-O 117.032 -1.461 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 31.9 mm -73.31 148.38 8.89 Favored 'Isoleucine or valine' 1 N--CA 1.539 4.003 0 O-C-N 127.593 3.058 . . . . 0.0 107.388 175.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -122.42 150.87 41.88 Favored 'General case' 0 CA--C 1.465 -2.303 0 O-C-N 117.094 -3.504 . . . . 0.0 112.534 168.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 60.6 p -158.85 -179.81 8.4 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 117.967 -2.958 . . . . 0.0 111.372 -166.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.465 HD11 ' HB3' ' B' ' 36' ' ' SER . 21.0 mt -85.47 137.66 32.75 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 117.043 -3.536 . . . . 0.0 110.572 173.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -51.85 -56.04 16.38 Favored 'General case' 0 C--O 1.182 -2.499 0 CA-C-O 114.104 -2.855 . . . . 0.0 115.309 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 18.5 p30 -156.87 173.8 16.45 Favored 'General case' 0 CA--C 1.6 2.884 0 C-N-CA 126.842 2.057 . . . . 0.0 111.587 166.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 2.8 pp -58.36 -16.63 7.92 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.038 0 O-C-N 126.526 2.391 . . . . 0.0 114.76 -171.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -56.2 -68.74 0.18 Allowed 'General case' 0 C--O 1.189 -2.086 0 CA-C-O 125.511 2.577 . . . . 0.0 109.81 -177.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . 0.307 0.9 OUTLIER -76.81 -16.06 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 N-CA-C 119.381 3.104 . . . . 0.0 119.381 -177.145 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.01 -35.41 80.13 Favored 'General case' 0 C--N 1.308 -1.209 0 C-N-CA 124.439 1.095 . . . . 0.0 111.953 162.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 10.4 m -81.49 -31.91 32.68 Favored 'General case' 0 CA--C 1.574 1.883 0 C-N-CA 128.472 2.709 . . . . 0.0 111.25 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' MET . . . . . 0.417 ' C ' ' SD ' ' B' ' 90' ' ' MET . 13.4 tmm? -61.17 -52.7 63.74 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 118.648 -2.532 . . . . 0.0 109.839 169.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 6.8 tt -68.89 -40.25 79.32 Favored 'General case' 0 C--N 1.392 2.438 0 C-N-CA 126.64 1.976 . . . . 0.0 110.467 -174.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -52.51 -40.65 62.65 Favored 'General case' 0 N--CA 1.52 3.068 0 O-C-N 120.197 -1.564 . . . . 0.0 113.917 167.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -84.9 -17.78 36.76 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 -170.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.34 -39.56 74.63 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 167.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 1.3 mp -66.18 -34.26 69.01 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.606 0 C-N-CA 127.668 2.387 . . . . 0.0 108.485 170.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -78.95 -39.34 34.78 Favored 'General case' 0 C--O 1.177 -2.721 0 O-C-N 119.828 -1.795 . . . . 0.0 107.73 -171.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . 0.261 3.7 t60 -62.86 -32.53 73.78 Favored 'General case' 0 N--CA 1.423 -1.803 0 CA-C-O 124.742 2.21 . . . . 0.0 114.334 174.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.27 -9.73 55.91 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 119.353 3.094 . . . . 0.0 119.353 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -131.19 47.73 2.5 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 29.2 m170 . . . . . 0 CA--C 1.564 1.483 0 CA-C-N 120.456 1.48 . . . . 0.0 112.196 -178.673 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.488 1.441 0 N-CA-C 118.403 2.742 . . . . 0.0 118.403 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 46.11 -38.76 0.0 OUTLIER 'General case' 0 C--N 1.38 1.924 1 C-N-CA 134.893 5.277 . . . . 0.0 114.666 173.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.4 p -151.12 -20.57 0.21 Allowed 'General case' 0 CA--C 1.593 2.599 0 O-C-N 116.73 -3.731 . . . . 0.0 111.999 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -53.01 -26.59 15.99 Favored 'General case' 0 N--CA 1.525 3.278 1 N-CA-C 122.555 4.28 . . . . 0.0 122.555 -170.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.294 22.9 mt-10 -70.21 -28.18 65.08 Favored 'General case' 0 C--O 1.276 2.498 0 O-C-N 117.459 -3.275 . . . . 0.0 116.391 164.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -72.66 -17.51 61.64 Favored 'General case' 0 N--CA 1.413 -2.299 0 CA-C-O 115.055 -2.402 . . . . 0.0 110.835 171.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.426 HG13 ' CE2' ' A' ' 20' ' ' PHE . 61.2 t -90.43 -46.23 14.86 Favored 'Isoleucine or valine' 0 CA--C 1.471 -2.084 0 C-N-CA 126.779 2.032 . . . . 0.0 113.323 176.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.4 p -56.0 -27.81 54.56 Favored 'General case' 0 N--CA 1.518 2.942 0 CA-C-N 119.492 1.042 . . . . 0.0 111.382 165.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -56.15 -22.51 29.07 Favored 'General case' 0 N--CA 1.506 2.346 1 CA-C-O 111.401 -4.142 . . . . 0.0 114.539 166.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.274 2.6 pp -113.18 26.79 3.23 Favored 'Isoleucine or valine' 0 C--O 1.275 2.429 0 O-C-N 126.38 2.3 . . . . 0.0 113.091 168.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.426 ' CE2' HG13 ' A' ' 16' ' ' VAL 0.307 12.4 m-85 -113.75 -28.66 7.36 Favored 'General case' 0 CA--C 1.585 2.29 0 CA-C-N 123.117 2.689 . . . . 0.0 111.413 167.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -57.17 43.91 0.0 OUTLIER 'General case' 1 CA--C 1.644 4.588 1 C-N-CA 134.792 5.237 . . . . 0.0 110.205 148.909 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -166.17 -8.18 0.02 OUTLIER 'General case' 0 C--O 1.279 2.608 0 C-N-CA 128.734 2.814 . . . . 0.0 107.644 -170.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.7 mt -107.54 -127.76 0.26 Allowed 'General case' 0 C--O 1.262 1.712 0 C-N-CA 128.354 2.662 . . . . 0.0 104.668 -174.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.3 15.52 70.24 Favored Glycine 0 C--N 1.385 3.287 0 CA-C-O 117.898 -1.501 . . . . 0.0 114.68 161.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -149.7 161.86 41.37 Favored 'General case' 0 CA--C 1.585 2.316 0 CA-C-N 121.303 2.551 . . . . 0.0 107.549 -176.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -91.52 -65.74 0.98 Allowed 'General case' 0 C--N 1.353 0.729 0 CA-C-N 125.649 3.841 . . . . 0.0 115.436 -175.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -54.02 -50.91 65.58 Favored 'General case' 0 N--CA 1.413 -2.31 0 CA-C-N 124.644 3.384 . . . . 0.0 109.469 -177.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -12.91 -54.82 0.0 OUTLIER 'General case' 0 C--N 1.394 2.507 0 C-N-CA 131.465 3.906 . . . . 0.0 117.062 160.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.2 pt -98.23 -11.22 8.65 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.856 0 O-C-N 126.97 2.669 . . . . 0.0 114.905 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.7 ttp85 -84.75 -19.86 31.98 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-O 126.197 2.903 . . . . 0.0 110.731 176.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.6 mt -72.95 -34.9 47.43 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.288 0 CA-C-N 111.958 -2.383 . . . . 0.0 108.559 167.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.425 ' CB ' ' CD1' ' A' ' 91' ' ' LEU . 55.3 mtm -90.58 -37.98 13.46 Favored 'General case' 0 C--O 1.199 -1.567 0 O-C-N 118.186 -2.821 . . . . 0.0 115.843 -170.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -30.63 -37.21 0.02 OUTLIER 'General case' 0 N--CA 1.536 3.868 0 C-N-CA 131.533 3.933 . . . . 0.0 112.259 138.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.374 0.5 OUTLIER -87.49 -54.25 4.38 Favored 'General case' 0 C--O 1.253 1.259 0 CA-C-O 113.69 -3.052 . . . . 0.0 113.444 -179.116 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.42 ' CD2' ' H ' ' A' ' 40' ' ' ALA 0.29 26.2 mt -52.58 -19.14 2.11 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-N 122.7 2.5 . . . . 0.0 116.05 170.074 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.254 56.3 m -64.73 -24.25 67.51 Favored 'General case' 0 N--CA 1.433 -1.306 0 C-N-CA 127.009 2.124 . . . . 0.0 114.174 173.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.0 m -123.02 -24.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 N-CA-C 116.246 1.943 . . . . 0.0 116.246 171.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.2 m -144.68 111.19 5.65 Favored 'General case' 0 C--O 1.178 -2.67 0 O-C-N 119.695 -1.878 . . . . 0.0 106.583 -178.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -75.39 114.82 14.37 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 114.735 -2.555 . . . . 0.0 112.523 -172.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.42 ' H ' ' CD2' ' A' ' 35' ' ' LEU . . . -136.55 144.32 44.15 Favored 'General case' 0 N--CA 1.432 -1.334 1 CA-C-N 126.801 4.364 . . . . 0.0 112.552 -167.291 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.9 t -96.22 160.51 14.4 Favored 'General case' 0 CA--C 1.58 2.123 1 O-C-N 114.764 -4.96 . . . . 0.0 112.74 -178.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . 0.252 18.0 t -18.06 -59.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.395 -3.22 0 N-CA-C 121.132 3.753 . . . . 0.0 121.132 171.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.47 -52.52 47.32 Favored Glycine 0 CA--C 1.562 3.007 0 CA-C-O 127.08 3.6 . . . . 0.0 114.926 175.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -77.97 -28.62 49.44 Favored 'General case' 0 CA--C 1.577 1.999 0 CA-C-O 115.09 -2.386 . . . . 0.0 112.143 -170.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 55.9 mt -58.18 -57.3 11.3 Favored 'Isoleucine or valine' 0 C--O 1.262 1.721 0 CA-C-N 120.571 1.532 . . . . 0.0 114.509 159.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.1 m -49.06 -40.49 31.7 Favored 'General case' 0 C--O 1.188 -2.174 0 CA-C-O 124.356 2.027 . . . . 0.0 114.849 172.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -67.01 -55.13 15.73 Favored 'General case' 0 C--N 1.365 1.27 0 O-C-N 117.373 -3.329 . . . . 0.0 114.658 170.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . 0.486 48.9 tt0 -65.47 -28.92 69.56 Favored 'General case' 0 N--CA 1.505 2.287 0 N-CA-C 119.316 3.08 . . . . 0.0 119.316 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mp -119.64 4.77 11.07 Favored 'General case' 0 C--O 1.207 -1.132 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 -174.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.4 m120 58.47 60.09 2.72 Favored 'General case' 0 N--CA 1.423 -1.821 0 O-C-N 117.128 -3.483 . . . . 0.0 112.121 171.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.6 mt -119.45 -132.16 0.31 Allowed 'General case' 0 CA--C 1.6 2.9 0 CA-C-N 111.484 -2.598 . . . . 0.0 110.457 173.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.9 p -158.58 143.46 16.15 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 129.496 3.118 . . . . 0.0 109.783 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -68.12 -43.07 79.22 Favored 'General case' 0 CA--C 1.61 3.282 0 C-N-CA 126.539 1.936 . . . . 0.0 108.699 -171.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.0 p -57.89 -39.22 77.36 Favored 'General case' 1 N--CA 1.555 4.81 0 CA-C-O 122.969 1.366 . . . . 0.0 111.728 177.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -79.7 -45.29 19.24 Favored 'General case' 0 CA--C 1.569 1.709 0 CA-C-N 113.293 -1.776 . . . . 0.0 106.67 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.403 ' C ' ' H ' ' A' ' 58' ' ' HIS . 22.8 t -72.36 -21.49 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 1 O-C-N 115.529 -4.482 . . . . 0.0 117.506 173.025 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.9 m -63.04 6.39 0.11 Allowed 'General case' 0 N--CA 1.437 -1.077 1 O-C-N 112.765 -6.209 . . . . 0.0 115.509 156.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.403 ' H ' ' C ' ' A' ' 56' ' ' VAL . 38.7 t60 -123.91 -32.21 3.3 Favored 'General case' 0 C--O 1.246 0.884 0 C-N-CA 128.039 2.536 . . . . 0.0 113.73 167.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -87.9 -48.46 7.79 Favored 'General case' 0 N--CA 1.531 3.587 0 N-CA-C 106.144 -1.799 . . . . 0.0 106.144 -170.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.5 tp -60.37 -39.35 86.91 Favored 'General case' 0 N--CA 1.42 -1.927 0 O-C-N 125.946 2.029 . . . . 0.0 111.157 173.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -60.59 -46.18 91.2 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 172.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -60.27 -58.61 7.77 Favored 'General case' 0 CA--C 1.604 3.052 0 O-C-N 118.628 -2.545 . . . . 0.0 110.619 174.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 65.4 mt -52.37 -37.12 55.49 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 117.954 -1.499 . . . . 0.0 112.539 -178.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.5 ttpp -51.99 -45.21 64.42 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 125.253 2.454 . . . . 0.0 112.419 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.3 m -72.97 -18.38 61.37 Favored 'General case' 0 N--CA 1.506 2.349 0 C-N-CA 129.985 3.314 . . . . 0.0 119.756 -176.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.314 29.8 m -96.96 2.81 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.258 0 CA-C-N 111.763 -2.471 . . . . 0.0 115.882 169.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.303 11.5 p80 65.37 24.23 12.04 Favored 'General case' 0 C--N 1.372 1.552 0 C-N-CA 130.221 3.408 . . . . 0.0 114.607 172.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.2 mp -81.81 -18.47 43.91 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 124.662 2.172 . . . . 0.0 111.604 168.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 t -128.74 150.52 34.48 Favored 'Isoleucine or valine' 0 C--N 1.376 1.735 0 C-N-CA 128.229 2.612 . . . . 0.0 110.676 -169.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -138.8 135.6 34.79 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 128.85 2.86 . . . . 0.0 116.673 170.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.408 ' HB2' ' CE2' ' A' ' 80' ' ' TYR . . . -84.11 144.2 29.19 Favored 'General case' 0 CA--C 1.582 2.208 0 CA-C-O 125.596 2.617 . . . . 0.0 116.242 165.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.7 tttt -138.85 131.87 29.59 Favored 'General case' 0 N--CA 1.513 2.688 1 O-C-N 115.264 -4.648 . . . . 0.0 110.694 173.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 69.2 ttt-85 . . . . . 0 CA--C 1.572 1.796 0 C-N-CA 125.791 1.636 . . . . 0.0 113.016 -174.637 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.2 mmt . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 106.183 -1.784 . . . . 0.0 106.183 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.4 mm -112.35 152.74 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 C-N-CA 126.235 1.814 . . . . 0.0 109.703 168.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.408 ' CE2' ' HB2' ' A' ' 71' ' ' ALA . 50.1 m-85 -129.6 146.59 51.39 Favored 'General case' 0 C--O 1.187 -2.232 0 CA-C-O 125.29 2.471 . . . . 0.0 112.786 -176.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.9 m -138.6 168.61 19.42 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 129.161 2.985 . . . . 0.0 109.906 -173.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -65.01 156.05 32.64 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 115.956 -1.973 . . . . 0.0 113.341 161.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -66.38 -48.13 71.15 Favored 'General case' 0 N--CA 1.529 3.502 0 CA-C-N 121.475 1.943 . . . . 0.0 113.276 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -154.45 -177.15 6.26 Favored 'General case' 0 CA--C 1.566 1.568 0 O-C-N 120.493 -1.38 . . . . 0.0 110.621 161.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . 0.276 8.8 tp -62.57 -23.14 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.134 0 C-N-CA 127.093 2.157 . . . . 0.0 113.729 -176.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -65.4 -47.34 76.64 Favored 'General case' 0 C--O 1.187 -2.218 0 CA-C-N 122.554 2.434 . . . . 0.0 113.559 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.75 -49.23 52.58 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.06 0 C-N-CA 128.6 2.76 . . . . 0.0 110.324 172.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -44.39 -49.4 9.67 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 119.566 -1.959 . . . . 0.0 112.19 169.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 59.7 m -69.18 -37.03 77.95 Favored 'General case' 0 N--CA 1.504 2.244 0 CA-C-N 112.907 -1.951 . . . . 0.0 114.123 176.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 36.7 ttp -60.17 -45.84 91.74 Favored 'General case' 0 C--O 1.27 2.169 0 C-N-CA 126.968 2.107 . . . . 0.0 109.396 171.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.425 ' CD1' ' CB ' ' A' ' 32' ' ' MET . 5.4 tt -67.81 -56.41 9.29 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 123.544 2.884 . . . . 0.0 105.584 176.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -54.32 -48.0 71.83 Favored 'General case' 0 C--N 1.264 -3.14 0 O-C-N 125.9 2.0 . . . . 0.0 112.659 -169.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -71.11 -11.62 61.05 Favored 'General case' 0 CA--C 1.578 2.047 0 CA-C-O 122.551 1.167 . . . . 0.0 114.061 175.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.444 ' C ' ' H ' ' A' ' 96' ' ' HIS . . . -85.54 -46.32 10.94 Favored 'General case' 0 C--N 1.379 1.891 0 N-CA-C 106.27 -1.752 . . . . 0.0 106.27 172.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . 0.35 1.1 mp -52.34 -7.43 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.507 2.402 0 C-N-CA 129.319 3.048 . . . . 0.0 113.939 165.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.444 ' H ' ' C ' ' A' ' 94' ' ' ALA . 13.8 m-70 -109.55 -8.18 15.03 Favored 'General case' 0 CA--C 1.583 2.241 0 C-N-CA 130.131 3.372 . . . . 0.0 116.045 173.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -116.85 4.16 12.92 Favored 'General case' 0 CA--C 1.579 2.077 0 CA-C-N 124.168 3.167 . . . . 0.0 112.647 172.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.56 -30.85 71.25 Favored 'General case' 0 CA--C 1.496 -1.096 0 N-CA-C 117.598 2.444 . . . . 0.0 117.598 166.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . 0.251 14.7 p-10 -146.79 164.45 32.77 Favored 'General case' 0 C--O 1.274 2.383 0 C-N-CA 129.701 3.2 . . . . 0.0 109.546 177.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 70.4 m80 -149.03 57.29 2.84 Favored Pre-proline 0 C--O 1.187 -2.219 0 O-C-N 117.417 -3.302 . . . . 0.0 113.593 -172.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo . . . . . 0 C--N 1.385 2.46 0 C-N-CA 124.23 3.287 . . . . 0.0 117.525 -172.947 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.52 3.042 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 49.98 -19.15 0.0 OUTLIER 'General case' 0 N--CA 1.538 3.96 0 N-CA-C 120.204 3.409 . . . . 0.0 120.204 -168.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 77.8 p -140.79 -66.39 0.43 Allowed 'General case' 0 C--N 1.365 1.253 0 O-C-N 117.354 -3.341 . . . . 0.0 108.718 -162.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.452 ' C ' ' H ' ' B' ' 15' ' ' ARG . 0.1 OUTLIER -35.1 -66.15 0.19 Allowed 'General case' 0 CA--C 1.573 1.862 0 O-C-N 127.837 3.211 . . . . 0.0 117.857 167.189 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -65.48 20.42 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.669 0 N-CA-C 118.731 2.863 . . . . 0.0 118.731 -177.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.452 ' H ' ' C ' ' B' ' 13' ' ' LEU . 0.5 OUTLIER -144.49 -15.44 0.56 Allowed 'General case' 0 C--O 1.261 1.688 1 C-N-CA 132.075 4.15 . . . . 0.0 115.639 -177.02 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 5.1 m -85.65 -20.9 7.9 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.13 0 O-C-N 118.045 -2.909 . . . . 0.0 116.725 158.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.6 p -57.69 -28.16 63.56 Favored 'General case' 0 N--CA 1.435 -1.192 0 O-C-N 119.828 -1.795 . . . . 0.0 112.864 172.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -70.19 -33.32 71.58 Favored 'General case' 0 C--O 1.201 -1.456 0 O-C-N 118.423 -2.673 . . . . 0.0 114.339 169.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 25.8 mt -71.2 -63.07 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.407 -2.58 0 O-C-N 123.605 0.565 . . . . 0.0 110.215 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -23.81 66.03 Favored 'General case' 0 N--CA 1.416 -2.126 0 C-N-CA 131.088 3.755 . . . . 0.0 113.168 -161.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -92.56 -26.39 17.92 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 128.27 3.481 . . . . 0.0 113.288 166.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.58 -10.95 59.76 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 124.585 3.357 . . . . 0.0 113.297 174.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 28.0 mt -63.9 -7.97 9.79 Favored 'General case' 0 C--N 1.382 1.987 0 C-N-CA 127.031 2.133 . . . . 0.0 112.088 173.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.3 29.6 1.42 Allowed Glycine 0 CA--C 1.569 3.44 0 C-N-CA 125.376 1.465 . . . . 0.0 115.982 -164.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -142.57 130.52 21.78 Favored 'General case' 0 N--CA 1.513 2.692 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 162.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.5 ' CD1' ' C ' ' B' ' 26' ' ' TYR . 0.6 OUTLIER -69.74 -15.5 63.15 Favored 'General case' 0 CA--C 1.563 1.474 0 C-N-CA 117.143 -1.823 . . . . 0.0 109.677 -166.073 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -75.45 -43.69 48.24 Favored 'General case' 0 C--N 1.378 1.812 1 O-C-N 115.21 -4.681 . . . . 0.0 114.948 175.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -45.74 -31.53 2.04 Favored 'General case' 0 C--N 1.373 1.588 1 O-C-N 129.74 4.4 . . . . 0.0 111.771 163.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 29.9 mm -94.82 -41.93 12.35 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.981 0 CA-C-O 116.579 -1.677 . . . . 0.0 109.395 -173.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -55.62 -29.08 58.56 Favored 'General case' 1 N--CA 1.55 4.573 0 O-C-N 126.529 2.393 . . . . 0.0 115.68 176.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 13.6 mt -59.82 -67.78 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.169 -3.154 0 O-C-N 128.925 3.891 . . . . 0.0 109.695 173.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' MET . . . . . 0.427 ' SD ' ' HB3' ' B' ' 68' ' ' LEU 0.466 0.0 OUTLIER -80.07 -28.12 39.23 Favored 'General case' 0 CA--C 1.568 1.646 0 CA-C-O 115.866 -2.016 . . . . 0.0 114.93 -170.465 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.482 ' H ' HD13 ' B' ' 91' ' ' LEU . 3.6 tm-20 -35.92 -41.63 0.24 Allowed 'General case' 0 CA--C 1.613 3.399 0 CA-C-N 120.136 1.335 . . . . 0.0 114.413 143.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.478 HD12 ' C ' ' B' ' 34' ' ' LEU 0.302 1.7 tm? -83.92 -43.02 15.69 Favored 'General case' 0 N--CA 1.523 3.175 0 CA-C-N 123.855 3.025 . . . . 0.0 111.94 -178.069 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.408 ' CD2' ' H ' ' B' ' 40' ' ' ALA . 17.3 mt -49.17 -27.06 3.23 Favored 'General case' 0 C--N 1.391 2.409 0 N-CA-C 116.231 1.937 . . . . 0.0 116.231 167.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 2.1 p -65.11 -21.49 66.81 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 131.175 3.79 . . . . 0.0 113.231 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 m -122.55 -38.5 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.472 -2.045 0 CA-C-O 116.807 -1.568 . . . . 0.0 112.535 177.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 19.8 m -149.47 145.49 26.93 Favored 'General case' 0 N--CA 1.506 2.363 0 CA-C-O 125.607 2.623 . . . . 0.0 110.5 169.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -83.07 112.75 20.08 Favored 'General case' 0 C--O 1.263 1.768 0 O-C-N 116.81 -3.681 . . . . 0.0 110.39 -167.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.408 ' H ' ' CD2' ' B' ' 35' ' ' LEU 0.279 . . -118.9 138.29 52.87 Favored 'General case' 0 CA--C 1.582 2.176 0 CA-C-N 121.962 2.164 . . . . 0.0 106.907 -177.565 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 13.5 t -75.61 145.41 41.14 Favored 'General case' 0 CA--C 1.46 -2.509 0 C-N-CA 129.706 3.203 . . . . 0.0 113.604 159.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 63.2 t -9.22 -46.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.514 2.761 0 N-CA-C 119.456 3.132 . . . . 0.0 119.456 167.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.92 -49.63 7.54 Favored Glycine 0 C--N 1.343 0.921 0 O-C-N 120.826 -1.171 . . . . 0.0 112.276 -178.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.271 30.5 t-80 -73.56 -22.96 59.92 Favored 'General case' 0 C--N 1.364 1.2 0 CA-C-O 117.785 -1.103 . . . . 0.0 113.145 177.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 65.7 mt -65.72 -52.88 44.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 O-C-N 127.514 3.008 . . . . 0.0 106.088 166.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 49.7 m -56.83 1.65 0.03 OUTLIER 'General case' 0 C--O 1.284 2.872 0 N-CA-C 119.256 3.058 . . . . 0.0 119.256 170.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -113.4 -51.67 2.8 Favored 'General case' 0 C--N 1.38 1.903 0 C-N-CA 127.527 2.331 . . . . 0.0 114.616 172.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . 0.343 80.8 mm-40 -68.63 -27.98 66.5 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 117.955 -2.965 . . . . 0.0 115.202 170.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . 0.277 1.0 OUTLIER -96.64 -13.8 22.58 Favored 'General case' 0 C--O 1.184 -2.369 0 C-N-CA 126.595 1.958 . . . . 0.0 116.069 165.556 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 19.0 m120 49.3 50.36 18.18 Favored 'General case' 1 N--CA 1.553 4.683 0 N-CA-C 117.761 2.504 . . . . 0.0 117.761 -166.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 60.7 mt -92.06 168.05 11.65 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 114.34 -2.743 . . . . 0.0 111.915 163.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 33.6 t -84.43 138.4 32.85 Favored 'General case' 0 N--CA 1.433 -1.324 0 CA-C-N 121.106 1.775 . . . . 0.0 114.492 161.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -61.41 -21.46 64.11 Favored 'General case' 0 CA--C 1.555 1.136 0 O-C-N 127.816 3.197 . . . . 0.0 109.441 -176.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 14.9 m -74.76 -31.29 61.74 Favored 'General case' 0 CA--C 1.608 3.205 0 O-C-N 118.515 -2.615 . . . . 0.0 112.358 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -90.5 -34.27 15.63 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 125.649 1.843 . . . . 0.0 112.786 -175.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 50.6 t -68.28 -30.6 48.33 Favored 'Isoleucine or valine' 0 C--O 1.257 1.492 0 CA-C-O 112.855 -3.45 . . . . 0.0 112.031 169.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 14.9 m -63.83 12.31 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 158.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . 0.412 ' H ' ' H ' ' B' ' 59' ' ' GLN . 8.3 t60 -126.23 -35.34 2.43 Favored 'General case' 0 CA--C 1.59 2.518 0 O-C-N 119.004 -2.31 . . . . 0.0 107.899 173.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.412 ' H ' ' H ' ' B' ' 58' ' ' HIS . 39.1 tt0 -91.64 -43.56 9.55 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-O 115.552 -2.166 . . . . 0.0 111.715 -166.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.1 tp -49.94 -47.3 52.54 Favored 'General case' 1 CA--C 1.638 4.345 0 O-C-N 126.507 2.38 . . . . 0.0 113.556 157.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -71.88 -36.95 70.22 Favored 'General case' 0 CA--C 1.574 1.886 0 O-C-N 119.778 -1.826 . . . . 0.0 112.758 -176.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -49.32 -61.68 1.96 Allowed 'General case' 0 CA--C 1.508 -0.645 0 O-C-N 119.029 -2.295 . . . . 0.0 110.632 158.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 21.3 mt -66.84 -33.01 74.67 Favored 'General case' 0 N--CA 1.513 2.704 0 CA-C-O 123.673 1.702 . . . . 0.0 110.28 -166.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -51.64 -50.05 61.06 Favored 'General case' 0 C--O 1.26 1.638 0 CA-C-N 114.164 -1.38 . . . . 0.0 110.284 164.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.6 m -82.19 5.13 20.81 Favored 'General case' 0 C--O 1.265 1.905 0 C-N-CA 125.997 1.719 . . . . 0.0 115.192 -173.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 14.8 m -127.95 29.09 1.87 Allowed 'Isoleucine or valine' 0 C--O 1.177 -2.756 0 CA-C-O 116.728 -1.606 . . . . 0.0 110.829 161.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 54.83 11.28 0.45 Allowed 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 129.458 3.103 . . . . 0.0 117.979 162.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.427 ' HB3' ' SD ' ' B' ' 32' ' ' MET 0.3 11.6 mt -74.24 -36.1 63.88 Favored 'General case' 0 C--O 1.271 2.19 0 O-C-N 118.594 -2.566 . . . . 0.0 106.88 163.817 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.1 t -104.4 152.0 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 127.616 2.366 . . . . 0.0 115.136 175.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -127.66 156.48 42.27 Favored 'General case' 0 C--N 1.358 0.937 0 O-C-N 125.479 1.737 . . . . 0.0 112.618 157.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . 0.421 ' HB2' ' SD ' ' B' ' 78' ' ' MET . . . -91.19 151.24 21.03 Favored 'General case' 0 CA--C 1.565 1.519 0 CA-C-O 114.272 -2.775 . . . . 0.0 112.186 163.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 32.4 pttt . . . . . 0 CA--C 1.588 2.431 0 CA-C-N 123.291 2.769 . . . . 0.0 108.768 166.545 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.421 ' SD ' ' HB2' ' B' ' 71' ' ' ALA . 4.2 ttt . . . . . 0 N--CA 1.404 -2.745 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 9.8 mm -92.78 155.1 3.14 Favored 'Isoleucine or valine' 0 C--N 1.424 3.808 0 C-N-CA 130.76 3.624 . . . . 0.0 110.759 -173.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -134.43 141.77 46.91 Favored 'General case' 0 C--O 1.219 -0.505 0 O-C-N 118.972 -2.33 . . . . 0.0 111.151 -175.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 6.1 p -137.27 163.07 31.83 Favored 'General case' 0 C--O 1.253 1.259 0 C-N-CA 129.148 2.979 . . . . 0.0 106.39 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 5.0 mt -56.34 129.85 42.17 Favored 'General case' 0 CA--C 1.59 2.49 0 C-N-CA 126.703 2.001 . . . . 0.0 106.759 159.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -49.82 -55.05 15.62 Favored 'General case' 0 CA--C 1.588 2.413 0 O-C-N 119.848 -1.782 . . . . 0.0 114.442 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 27.5 p30 -140.8 -178.85 5.73 Favored 'General case' 0 N--CA 1.512 2.649 0 O-C-N 119.192 -2.192 . . . . 0.0 113.683 161.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.2 pp -61.54 -17.17 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.986 0 C-N-CA 126.717 2.007 . . . . 0.0 111.577 -177.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -66.49 -62.76 1.29 Allowed 'General case' 0 C--O 1.196 -1.743 0 O-C-N 125.91 2.006 . . . . 0.0 107.213 -173.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . 0.434 HG12 ' H ' ' B' ' 87' ' ' VAL . 1.8 m -74.07 -26.37 20.93 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.405 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.622 -175.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.35 -47.27 69.53 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.445 -1.409 . . . . 0.0 109.747 170.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 88.3 m -70.21 -31.38 68.79 Favored 'General case' 0 N--CA 1.432 -1.36 0 CA-C-O 127.2 3.381 . . . . 0.0 112.495 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 11.5 tmm? -66.81 -44.5 81.04 Favored 'General case' 0 CA--C 1.6 2.886 0 O-C-N 117.853 -3.029 . . . . 0.0 110.805 176.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.482 HD13 ' H ' ' B' ' 33' ' ' GLU 0.283 4.5 tt -62.49 -52.47 63.37 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-N 112.699 -2.046 . . . . 0.0 109.358 -178.789 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -54.71 -43.29 72.44 Favored 'General case' 0 CA--C 1.562 1.427 0 C-N-CA 126.768 2.027 . . . . 0.0 111.006 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -76.73 -13.77 60.0 Favored 'General case' 0 N--CA 1.435 -1.2 0 O-C-N 117.395 -3.316 . . . . 0.0 116.159 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.65 -41.59 37.76 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 124.847 1.259 . . . . 0.0 112.166 162.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.29 -35.65 59.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 CA-C-N 123.061 2.664 . . . . 0.0 107.257 168.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.32 -34.62 42.12 Favored 'General case' 0 N--CA 1.504 2.273 0 C-N-CA 128.329 2.652 . . . . 0.0 114.848 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -78.14 -17.6 56.68 Favored 'General case' 0 C--O 1.275 2.418 0 CA-C-N 122.691 2.496 . . . . 0.0 115.015 166.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -80.3 -23.86 40.39 Favored 'General case' 0 N--CA 1.413 -2.295 0 C-N-CA 128.277 2.631 . . . . 0.0 113.631 168.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -134.91 94.56 3.17 Favored 'General case' 0 CA--C 1.567 1.633 1 C-N-CA 131.755 4.022 . . . . 0.0 118.281 173.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 45.2 m170 . . . . . 0 N--CA 1.494 1.759 0 CA-C-N 110.088 -3.233 . . . . 0.0 107.025 176.363 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.6 p . . . . . 0 CA--C 1.567 1.626 0 CA-C-O 117.549 -1.215 . . . . 0.0 110.156 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.297 1.9 m-20 57.81 -38.58 0.05 OUTLIER 'General case' 0 C--N 1.365 1.272 0 N-CA-C 120.828 3.64 . . . . 0.0 120.828 -171.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 p -164.73 -33.36 0.03 OUTLIER 'General case' 0 N--CA 1.524 3.258 0 CA-C-N 111.764 -2.471 . . . . 0.0 111.089 -165.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.96 -39.7 20.11 Favored 'General case' 1 CA--C 1.633 4.149 0 C-N-CA 127.869 2.468 . . . . 0.0 117.062 -165.3 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -90.7 0.96 57.24 Favored 'General case' 0 CA--C 1.565 1.537 0 N-CA-C 116.18 1.918 . . . . 0.0 116.18 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -82.71 -23.59 34.01 Favored 'General case' 0 N--CA 1.516 2.864 0 C-N-CA 124.643 1.177 . . . . 0.0 111.542 150.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 82.7 t -84.59 -41.17 15.85 Favored 'Isoleucine or valine' 0 C--O 1.254 1.307 0 O-C-N 118.797 -2.439 . . . . 0.0 110.786 -175.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.9 p -53.05 -32.7 48.33 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 166.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -62.5 -17.25 59.27 Favored 'General case' 0 CA--C 1.585 2.312 0 C-N-CA 130.123 3.369 . . . . 0.0 110.222 173.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.33 2.8 pp -106.36 6.98 9.93 Favored 'Isoleucine or valine' 0 C--N 1.383 2.028 0 N-CA-C 115.084 1.512 . . . . 0.0 115.084 165.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -103.79 -28.63 11.52 Favored 'General case' 0 C--N 1.385 2.119 0 O-C-N 118.913 -2.367 . . . . 0.0 110.137 167.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -61.51 54.21 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.076 3 O-C-N 114.184 -5.322 . . . . 0.0 108.882 144.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . 0.338 . . -174.62 -8.86 0.01 OUTLIER 'General case' 1 N--CA 1.542 4.135 0 CA-C-N 110.2 -3.182 . . . . 0.0 110.173 173.764 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 68.8 mt -97.04 -115.24 0.13 Allowed 'General case' 0 C--O 1.269 2.098 0 C-N-CA 124.861 1.264 . . . . 0.0 109.532 174.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.07 -5.01 0.01 OUTLIER Glycine 0 C--N 1.371 2.524 1 N-CA-C 124.231 4.452 . . . . 0.0 124.231 177.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -134.57 164.36 27.66 Favored 'General case' 0 CA--C 1.619 3.607 0 O-C-N 126.522 1.954 . . . . 0.0 109.912 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . 0.377 31.2 t80 -81.85 -78.62 0.19 Allowed 'General case' 0 C--N 1.345 0.398 0 C-N-CA 127.326 2.25 . . . . 0.0 114.201 -167.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -51.78 -53.59 38.11 Favored 'General case' 0 C--O 1.201 -1.496 0 CA-C-O 114.886 -2.483 . . . . 0.0 113.341 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -28.92 -38.56 0.01 OUTLIER 'General case' 0 N--CA 1.531 3.614 0 N-CA-C 119.437 3.125 . . . . 0.0 119.437 168.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -103.29 -13.9 8.55 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.814 0 N-CA-C 119.451 3.13 . . . . 0.0 119.451 169.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 46.0 ttp85 -67.02 -22.13 65.9 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-O 115.946 -1.978 . . . . 0.0 111.976 161.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.3 mp -62.5 -47.03 94.92 Favored 'Isoleucine or valine' 0 C--O 1.174 -2.878 0 O-C-N 125.866 1.979 . . . . 0.0 108.045 162.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.1 mtm -86.2 -44.32 12.28 Favored 'General case' 0 N--CA 1.52 3.036 0 C-N-CA 117.36 -1.736 . . . . 0.0 112.688 -156.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.509 ' H ' HD13 ' A' ' 91' ' ' LEU . 6.9 tm-20 -28.28 -35.94 0.01 OUTLIER 'General case' 0 C--N 1.379 1.891 0 O-C-N 119.324 -2.11 . . . . 0.0 113.986 148.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.433 ' C ' ' H ' ' A' ' 36' ' ' SER . 0.8 OUTLIER -93.55 -45.24 7.83 Favored 'General case' 0 CA--C 1.574 1.865 0 CA-C-N 125.44 3.745 . . . . 0.0 112.976 176.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.9 mt -52.88 -26.16 13.93 Favored 'General case' 0 N--CA 1.526 3.358 0 O-C-N 118.077 -2.89 . . . . 0.0 112.633 171.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.433 ' H ' ' C ' ' A' ' 34' ' ' LEU . 39.4 m -55.93 -16.59 4.94 Favored 'General case' 0 C--O 1.194 -1.846 0 CA-C-N 110.171 -3.195 . . . . 0.0 112.562 173.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.0 m -134.97 -23.62 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.711 0 CA-C-N 122.83 2.559 . . . . 0.0 115.879 -177.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.4 m -156.05 128.03 7.47 Favored 'General case' 0 C--O 1.254 1.3 0 C-N-CA 131.529 3.932 . . . . 0.0 114.375 177.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -96.65 136.59 36.96 Favored 'General case' 0 CA--C 1.605 3.079 0 O-C-N 119.049 -2.282 . . . . 0.0 110.869 -163.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -139.73 143.84 37.21 Favored 'General case' 0 CA--C 1.481 -1.691 0 CA-C-N 113.24 -1.8 . . . . 0.0 112.726 -172.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -89.09 159.66 17.43 Favored 'General case' 0 N--CA 1.513 2.68 0 CA-C-O 121.349 0.595 . . . . 0.0 112.435 170.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.0 t -25.11 -50.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 118.67 2.841 . . . . 0.0 118.67 176.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.16 -35.75 60.59 Favored Glycine 0 CA--C 1.542 1.738 0 O-C-N 119.085 -2.26 . . . . 0.0 112.666 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -79.24 -40.22 31.16 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-N 122.281 3.04 . . . . 0.0 111.332 -177.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.7 mt -50.4 -49.05 24.95 Favored 'Isoleucine or valine' 0 C--N 1.373 1.614 0 O-C-N 118.7 -2.5 . . . . 0.0 109.042 165.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.4 m -65.29 -10.61 33.87 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 119.608 -1.932 . . . . 0.0 115.201 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -91.28 -64.53 1.11 Allowed 'General case' 0 C--N 1.377 1.763 0 N-CA-C 104.371 -2.455 . . . . 0.0 104.371 168.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . 0.266 63.3 tt0 -63.79 -42.69 97.69 Favored 'General case' 0 CA--C 1.615 3.466 0 C-N-CA 130.777 3.631 . . . . 0.0 111.416 -161.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 mp -94.24 5.66 51.07 Favored 'General case' 0 N--CA 1.503 2.203 0 C-N-CA 125.334 1.453 . . . . 0.0 113.315 172.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.9 m120 54.57 53.75 10.25 Favored 'General case' 0 C--O 1.298 3.625 0 N-CA-C 115.953 1.834 . . . . 0.0 115.953 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.2 mt -107.41 -139.2 0.37 Allowed 'General case' 0 C--O 1.269 2.099 0 CA-C-O 121.833 0.825 . . . . 0.0 112.814 -174.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 61.4 p -150.01 138.7 20.8 Favored 'General case' 0 N--CA 1.421 -1.904 0 O-C-N 118.208 -2.808 . . . . 0.0 109.462 170.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.48 -30.08 70.33 Favored 'General case' 0 C--N 1.399 2.747 0 O-C-N 119.096 -2.253 . . . . 0.0 112.117 -172.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.5 m -53.6 -33.79 56.15 Favored 'General case' 0 C--N 1.364 1.216 0 O-C-N 125.863 1.977 . . . . 0.0 115.324 165.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -83.35 -31.73 26.63 Favored 'General case' 0 C--O 1.284 2.891 0 CA-C-N 121.128 1.786 . . . . 0.0 109.438 175.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.643 ' C ' ' H ' ' A' ' 58' ' ' HIS . 23.5 t -92.82 -34.85 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 CA-C-N 121.126 1.784 . . . . 0.0 113.11 -167.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.1 m -54.89 12.27 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 156.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.643 ' H ' ' C ' ' A' ' 56' ' ' VAL . 14.7 t60 -139.07 -38.52 0.5 Allowed 'General case' 0 C--O 1.191 -2.012 0 CA-C-O 117.026 -1.464 . . . . 0.0 110.811 -176.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -88.27 -44.99 10.43 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 125.765 1.626 . . . . 0.0 111.067 177.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.3 tp -53.69 -39.65 65.32 Favored 'General case' 0 CA--C 1.587 2.393 0 O-C-N 119.23 -2.169 . . . . 0.0 116.032 167.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -70.59 -34.23 71.95 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 123.479 1.609 . . . . 0.0 112.335 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.94 -52.01 58.71 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 119.73 -1.856 . . . . 0.0 108.531 175.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . 0.318 15.7 mt -69.23 -30.82 69.05 Favored 'General case' 0 C--O 1.275 2.406 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 -169.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -59.59 -54.12 50.17 Favored 'General case' 0 C--N 1.268 -2.948 0 C-N-CA 128.182 2.593 . . . . 0.0 109.806 173.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.5 m -77.97 1.64 20.11 Favored 'General case' 0 C--O 1.276 2.493 0 O-C-N 116.98 -3.575 . . . . 0.0 113.635 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.323 6.0 m -120.06 19.43 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 CA-C-O 125.794 2.712 . . . . 0.0 113.066 168.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.257 10.9 p80 48.69 39.3 13.34 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 121.351 3.834 . . . . 0.0 121.351 173.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.4 mp -97.75 -23.5 15.89 Favored 'General case' 0 C--O 1.252 1.215 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 163.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.3 t -117.36 151.8 19.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 N-CA-C 104.087 -2.56 . . . . 0.0 104.087 -174.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.84 144.08 37.11 Favored 'General case' 0 C--O 1.274 2.364 0 C-N-CA 125.74 1.616 . . . . 0.0 109.304 172.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -122.86 147.23 46.8 Favored 'General case' 0 C--O 1.271 2.192 1 CA-C-O 128.822 4.153 . . . . 0.0 109.148 -173.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -136.57 137.05 39.81 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 117.315 -3.366 . . . . 0.0 107.0 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 70.5 ttt-85 . . . . . 0 CA--C 1.559 1.324 0 O-C-N 120.407 -1.433 . . . . 0.0 108.144 -174.291 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 17.9 mmt . . . . . 0 CA--C 1.474 -1.976 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.8 mm -115.95 139.06 44.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 C-N-CA 130.016 3.326 . . . . 0.0 108.534 -175.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -132.79 150.3 52.17 Favored 'General case' 0 CA--C 1.57 1.721 0 CA-C-O 125.319 2.485 . . . . 0.0 109.859 -159.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.1 m -148.3 176.55 10.16 Favored 'General case' 0 N--CA 1.502 2.132 0 CA-C-N 111.754 -2.475 . . . . 0.0 107.385 -169.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -68.29 155.87 38.87 Favored 'General case' 0 CA--C 1.571 1.753 0 O-C-N 117.493 -3.254 . . . . 0.0 107.333 160.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -63.65 -48.59 76.59 Favored 'General case' 0 C--O 1.268 2.038 0 CA-C-N 113.91 -1.495 . . . . 0.0 110.902 -174.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -158.06 179.14 9.45 Favored 'General case' 0 C--O 1.274 2.375 0 CA-C-O 126.17 2.89 . . . . 0.0 105.847 169.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . 0.281 6.9 tp -55.79 -32.17 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 1 C-N-CA 133.164 4.585 . . . . 0.0 112.162 179.692 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -58.44 -52.49 65.43 Favored 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 130.249 3.419 . . . . 0.0 112.232 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.408 ' HA ' ' SD ' ' A' ' 90' ' ' MET . 1.4 p -76.68 -49.17 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 CA-C-N 113.684 -1.598 . . . . 0.0 112.062 178.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.04 -44.6 31.26 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 116.964 -3.585 . . . . 0.0 109.252 171.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.8 m -64.16 -41.34 97.19 Favored 'General case' 0 N--CA 1.534 3.743 0 O-C-N 116.812 -3.68 . . . . 0.0 114.591 174.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.408 ' SD ' ' HA ' ' A' ' 87' ' ' VAL 0.354 0.2 OUTLIER -53.75 -41.2 66.86 Favored 'General case' 0 CA--C 1.594 2.648 0 C-N-CA 124.463 1.105 . . . . 0.0 113.903 172.351 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.509 HD13 ' H ' ' A' ' 33' ' ' GLU 0.32 4.3 tt -82.3 -53.14 6.27 Favored 'General case' 0 N--CA 1.513 2.714 0 CA-C-O 114.94 -2.457 . . . . 0.0 109.808 176.61 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.8 tttp -45.06 -55.72 5.35 Favored 'General case' 0 CA--C 1.573 1.835 0 CA-C-N 123.182 2.719 . . . . 0.0 116.548 173.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -67.91 -13.44 62.16 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 117.783 2.512 . . . . 0.0 117.783 175.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.435 ' C ' ' H ' ' A' ' 96' ' ' HIS . . . -71.14 -57.77 4.19 Favored 'General case' 0 CA--C 1.485 -1.548 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 159.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -50.29 -2.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.291 3.246 0 CA-C-O 125.536 2.589 . . . . 0.0 117.524 170.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.435 ' H ' ' C ' ' A' ' 94' ' ' ALA . 3.2 m-70 -117.35 -1.35 11.78 Favored 'General case' 0 N--CA 1.422 -1.834 0 O-C-N 118.503 -2.623 . . . . 0.0 115.768 172.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -110.97 -2.07 16.12 Favored 'General case' 0 N--CA 1.523 3.212 0 C-N-CA 117.722 -1.591 . . . . 0.0 111.677 169.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.95 -46.21 75.42 Favored 'General case' 0 N--CA 1.521 3.105 0 O-C-N 116.316 -3.99 . . . . 0.0 112.08 174.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -123.2 160.39 26.66 Favored 'General case' 0 C--N 1.271 -2.819 0 O-C-N 126.222 2.201 . . . . 0.0 112.751 171.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -142.94 61.3 10.4 Favored Pre-proline 0 N--CA 1.491 1.602 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo . . . . . 0 N--CA 1.53 3.671 0 C-N-CA 121.641 1.561 . . . . 0.0 112.492 173.395 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.407 ' C ' ' H ' ' B' ' 12' ' ' THR . 14.3 p . . . . . 0 N--CA 1.497 1.876 0 CA-C-O 121.661 0.743 . . . . 0.0 112.753 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 59.33 -37.87 0.07 Allowed 'General case' 0 C--O 1.257 1.452 0 C-N-CA 130.403 3.481 . . . . 0.0 112.662 175.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.407 ' H ' ' C ' ' B' ' 10' ' ' THR . 78.2 p -114.58 -63.44 1.46 Allowed 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 117.28 2.326 . . . . 0.0 117.28 177.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.418 ' C ' ' H ' ' B' ' 15' ' ' ARG . 0.5 OUTLIER -43.45 -52.69 5.9 Favored 'General case' 0 CA--C 1.48 -1.745 0 N-CA-C 121.651 3.945 . . . . 0.0 121.651 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -62.12 -12.02 17.31 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 126.873 3.225 . . . . 0.0 112.163 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.418 ' H ' ' C ' ' B' ' 13' ' ' LEU . 4.1 mmp_? -116.06 0.51 13.02 Favored 'General case' 0 N--CA 1.439 -1.016 0 O-C-N 117.81 -3.056 . . . . 0.0 113.81 -175.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 4.1 m -114.93 -7.43 12.15 Favored 'Isoleucine or valine' 0 C--N 1.398 2.694 0 CA-C-O 111.863 -3.923 . . . . 0.0 114.383 158.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 9.8 p -61.33 -39.62 91.2 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 122.029 2.195 . . . . 0.0 105.517 167.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -58.8 -30.89 67.95 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 117.22 -3.425 . . . . 0.0 112.363 172.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 5.7 mt -81.24 -58.58 3.6 Favored 'Isoleucine or valine' 0 C--N 1.396 2.617 1 O-C-N 115.928 -4.232 . . . . 0.0 109.264 178.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.407 ' HA ' ' HG ' ' B' ' 23' ' ' LEU . 5.2 m-30 -66.58 -30.89 71.29 Favored 'General case' 0 N--CA 1.427 -1.592 0 O-C-N 118.919 -2.363 . . . . 0.0 114.147 -166.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 pttm -65.59 -46.63 78.65 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 121.086 0.47 . . . . 0.0 110.174 173.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.87 3.85 13.39 Favored 'General case' 0 C--O 1.21 -1.026 0 C-N-CA 128.03 2.532 . . . . 0.0 110.416 -178.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.407 ' HG ' ' HA ' ' B' ' 20' ' ' PHE . 31.8 mt -72.39 6.28 2.42 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-N 123.041 2.655 . . . . 0.0 109.207 159.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.07 23.1 0.57 Allowed Glycine 1 CA--C 1.578 4.008 0 N-CA-C 120.134 2.814 . . . . 0.0 120.134 -168.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -151.55 121.6 7.15 Favored 'General case' 0 CA--C 1.587 2.391 0 CA-C-N 120.927 2.364 . . . . 0.0 107.212 -173.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -55.42 -38.2 68.65 Favored 'General case' 0 CA--C 1.571 1.751 0 C-N-CA 117.673 -1.611 . . . . 0.0 113.725 172.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -63.45 -43.89 96.09 Favored 'General case' 0 C--O 1.24 0.566 1 O-C-N 116.251 -4.031 . . . . 0.0 110.565 -174.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -46.61 -48.35 19.77 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 120.223 1.374 . . . . 0.0 111.056 174.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 40.7 mm -68.88 -39.56 80.08 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 C-N-CA 130.2 3.4 . . . . 0.0 111.892 -173.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -69.35 -31.28 69.62 Favored 'General case' 0 CA--C 1.504 -0.796 0 C-N-CA 130.936 3.695 . . . . 0.0 112.508 -175.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 4.5 mt -60.41 -43.74 94.65 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.863 0 CA-C-N 111.859 -2.428 . . . . 0.0 111.219 170.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 75.4 mtm -89.62 -49.26 6.77 Favored 'General case' 0 C--O 1.252 1.191 0 O-C-N 119.314 -2.116 . . . . 0.0 115.152 -163.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -10.93 -63.28 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.934 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 135.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -71.37 -50.92 27.36 Favored 'General case' 0 C--O 1.206 -1.2 0 N-CA-C 118.364 2.727 . . . . 0.0 118.364 -176.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.31 -32.63 57.02 Favored 'General case' 0 C--O 1.197 -1.659 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 5.0 p -67.98 -2.18 7.11 Favored 'General case' 0 CA--C 1.574 1.899 0 C-N-CA 129.032 2.933 . . . . 0.0 110.729 -172.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . 0.309 3.2 m -128.61 -37.3 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.586 2.36 0 C-N-CA 127.523 2.329 . . . . 0.0 111.954 174.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -156.79 127.59 6.73 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 117.926 -2.984 . . . . 0.0 104.692 162.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -73.45 127.41 32.63 Favored 'General case' 0 CA--C 1.58 2.108 0 N-CA-C 106.873 -1.528 . . . . 0.0 106.873 -165.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.3 143.62 48.25 Favored 'General case' 0 CA--C 1.584 2.254 0 O-C-N 117.57 -3.206 . . . . 0.0 112.07 -178.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 23.0 t -80.36 151.43 29.43 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 127.705 2.402 . . . . 0.0 113.851 162.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 95.4 t -12.68 -66.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.426 0 C-N-CA 125.968 1.707 . . . . 0.0 112.582 155.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.28 -35.26 90.65 Favored Glycine 0 CA--C 1.558 2.73 0 CA-C-O 118.745 -1.03 . . . . 0.0 113.605 -169.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -81.11 -43.6 19.19 Favored 'General case' 0 C--N 1.365 1.278 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 174.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 33.7 mt -49.37 -44.52 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 O-C-N 128.713 3.758 . . . . 0.0 109.509 173.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 73.3 m -45.31 -51.65 10.74 Favored 'General case' 0 C--N 1.342 0.245 0 O-C-N 127.962 3.289 . . . . 0.0 108.559 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -69.57 -55.07 11.16 Favored 'General case' 0 C--N 1.377 1.783 0 N-CA-C 115.332 1.604 . . . . 0.0 115.332 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -70.37 -6.01 32.35 Favored 'General case' 0 N--CA 1.525 3.319 0 CA-C-O 115.351 -2.262 . . . . 0.0 113.984 -175.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 mp -130.8 1.23 4.37 Favored 'General case' 0 CA--C 1.605 3.077 0 O-C-N 125.671 1.857 . . . . 0.0 108.532 -175.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 m120 59.94 51.65 5.8 Favored 'General case' 0 N--CA 1.525 3.307 0 C-N-CA 130.352 3.461 . . . . 0.0 114.479 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 73.0 mt -129.84 153.26 48.45 Favored 'General case' 0 C--O 1.278 2.598 0 N-CA-C 105.127 -2.175 . . . . 0.0 105.127 -168.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 22.9 t -74.76 142.38 44.31 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 123.228 1.489 . . . . 0.0 113.103 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -61.88 -38.56 88.76 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 117.562 -3.211 . . . . 0.0 109.614 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 46.6 m -62.17 -25.67 67.9 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 174.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -79.31 -35.92 40.43 Favored 'General case' 0 C--O 1.191 -1.987 0 C-N-CA 129.906 3.282 . . . . 0.0 110.476 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.599 ' C ' ' H ' ' B' ' 58' ' ' HIS . 17.3 t -83.52 -29.43 7.75 Favored 'Isoleucine or valine' 0 C--N 1.35 0.618 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 177.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 20.3 m -61.99 8.55 0.04 OUTLIER 'General case' 0 N--CA 1.527 3.425 0 C-N-CA 126.285 1.834 . . . . 0.0 112.923 159.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . 0.599 ' H ' ' C ' ' B' ' 56' ' ' VAL . 72.4 t60 -135.74 -33.99 0.84 Allowed 'General case' 0 N--CA 1.416 -2.134 0 C-N-CA 124.702 1.201 . . . . 0.0 110.588 174.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -77.76 -41.21 38.33 Favored 'General case' 0 N--CA 1.439 -0.981 0 O-C-N 117.031 -3.543 . . . . 0.0 106.173 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 tp -67.32 -42.02 84.32 Favored 'General case' 0 C--O 1.205 -1.275 1 O-C-N 114.236 -5.29 . . . . 0.0 106.341 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -70.62 -31.18 68.05 Favored 'General case' 0 CA--C 1.557 1.246 1 O-C-N 115.713 -4.367 . . . . 0.0 110.157 177.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.1 -47.01 72.49 Favored 'General case' 0 C--O 1.248 1.011 0 C-N-CA 119.487 -0.885 . . . . 0.0 112.107 172.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 72.0 mt -61.67 -39.12 90.3 Favored 'General case' 0 C--O 1.185 -2.301 0 N-CA-C 118.854 2.909 . . . . 0.0 118.854 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -53.15 -38.84 63.07 Favored 'General case' 0 N--CA 1.537 3.903 1 CA-C-N 107.375 -4.466 . . . . 0.0 112.839 167.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.7 m -83.28 -8.61 59.42 Favored 'General case' 1 N--CA 1.546 4.337 0 CA-C-N 113.598 -1.637 . . . . 0.0 108.515 -178.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . 0.306 15.9 m -115.55 14.64 7.91 Favored 'Isoleucine or valine' 0 C--N 1.383 2.044 0 C-N-CA 128.573 2.749 . . . . 0.0 114.286 174.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 4.6 m80 66.92 18.71 10.64 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 113.877 -1.51 . . . . 0.0 112.698 162.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 2.9 mp -88.82 -13.57 39.03 Favored 'General case' 0 N--CA 1.517 2.889 0 CA-C-N 119.554 1.07 . . . . 0.0 113.366 169.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.3 t -128.9 143.23 41.85 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.09 0 C-N-CA 128.105 2.562 . . . . 0.0 115.8 -162.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -137.2 147.6 45.95 Favored 'General case' 0 C--O 1.274 2.384 0 CA-C-O 128.166 3.841 . . . . 0.0 113.727 165.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -99.56 152.38 20.1 Favored 'General case' 0 CA--C 1.576 1.953 0 O-C-N 118.386 -2.696 . . . . 0.0 117.237 173.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 39.4 pttt . . . . . 0 N--CA 1.53 3.53 0 CA-C-O 124.116 1.913 . . . . 0.0 114.263 172.531 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 36.4 ttm . . . . . 0 N--CA 1.418 -2.048 0 N-CA-C 101.934 -3.358 . . . . 0.0 101.934 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 39.9 mm -55.15 154.62 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.893 0 C-N-CA 127.75 2.42 . . . . 0.0 113.869 166.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -134.61 156.29 48.97 Favored 'General case' 0 CA--C 1.468 -2.197 0 CA-C-O 117.556 -1.211 . . . . 0.0 110.495 173.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . 0.321 15.8 m -150.2 159.53 44.36 Favored 'General case' 0 C--O 1.178 -2.674 0 C-N-CA 130.736 3.614 . . . . 0.0 107.54 -166.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.7 mt -58.79 131.2 50.22 Favored 'General case' 0 C--O 1.213 -0.839 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 160.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -55.22 -48.62 73.63 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 127.572 2.349 . . . . 0.0 110.027 -168.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -154.49 174.58 14.72 Favored 'General case' 0 N--CA 1.422 -1.843 0 O-C-N 119.766 -1.834 . . . . 0.0 112.607 141.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 2.0 pp -65.41 -8.68 6.29 Favored 'Isoleucine or valine' 0 C--O 1.261 1.705 0 C-N-CA 130.566 3.546 . . . . 0.0 115.014 -169.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -51.49 -62.48 1.6 Allowed 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 119.091 -2.256 . . . . 0.0 111.275 164.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 m -82.71 -20.92 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.808 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 -175.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.19 -37.66 64.76 Favored 'General case' 0 C--O 1.184 -2.353 0 C-N-CA 116.981 -1.888 . . . . 0.0 112.079 163.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 73.6 m -64.55 -58.2 7.02 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 130.134 3.374 . . . . 0.0 108.077 178.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 11.8 tmm? -40.62 -53.48 2.74 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.931 -1.73 . . . . 0.0 115.25 170.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 4.7 tt -60.38 -46.5 89.72 Favored 'General case' 0 N--CA 1.415 -2.221 0 O-C-N 125.336 1.648 . . . . 0.0 112.883 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -62.72 -35.89 81.2 Favored 'General case' 0 N--CA 1.425 -1.694 0 CA-C-O 123.026 1.393 . . . . 0.0 113.573 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -85.47 -11.28 54.68 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 119.04 -2.288 . . . . 0.0 115.717 176.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.49 -37.62 56.51 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 125.179 1.549 . . . . 0.0 110.487 177.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 1.7 mp -63.26 -45.12 99.14 Favored 'Isoleucine or valine' 0 C--N 1.375 1.694 0 O-C-N 124.845 1.341 . . . . 0.0 111.264 166.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -45.67 89.24 Favored 'General case' 0 C--N 1.377 1.785 0 CA-C-O 122.399 1.095 . . . . 0.0 109.398 -174.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . 0.28 8.2 t60 -55.14 -28.31 51.84 Favored 'General case' 0 N--CA 1.511 2.619 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 167.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.23 -0.88 57.8 Favored 'General case' 0 C--O 1.273 2.301 1 O-C-N 115.397 -4.564 . . . . 0.0 115.033 174.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -147.37 60.9 1.16 Allowed 'General case' 1 CA--C 1.63 4.055 0 CA-C-N 112.764 -2.016 . . . . 0.0 111.716 -168.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 22.5 m170 . . . . . 0 N--CA 1.496 1.857 0 CA-C-N 113.341 -1.754 . . . . 0.0 113.337 168.536 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.0 p . . . . . 0 CA--C 1.564 1.494 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.359 20.1 m-20 72.57 -47.92 0.68 Allowed 'General case' 0 C--O 1.248 1.01 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 176.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.5 p -149.96 -7.01 0.32 Allowed 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 128.009 2.524 . . . . 0.0 113.275 173.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -66.31 -31.24 71.91 Favored 'General case' 0 CA--C 1.582 2.186 0 N-CA-C 117.325 2.343 . . . . 0.0 117.325 -161.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.25 1.8 mt-10 -73.55 -31.75 63.81 Favored 'General case' 0 N--CA 1.476 0.836 1 CA-C-O 111.488 -4.101 . . . . 0.0 112.756 169.144 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -78.4 -10.18 59.59 Favored 'General case' 1 N--CA 1.547 4.411 0 N-CA-C 118.579 2.807 . . . . 0.0 118.579 165.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.1 t -84.35 -45.34 18.0 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.58 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 167.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.258 25.8 p -49.86 -32.53 14.58 Favored 'General case' 0 C--N 1.411 3.26 0 CA-C-N 120.99 1.723 . . . . 0.0 111.883 170.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -70.1 -17.84 63.23 Favored 'General case' 0 C--O 1.2 -1.507 0 CA-C-O 114.139 -2.838 . . . . 0.0 115.693 174.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.328 2.2 pp -101.67 3.78 10.6 Favored 'Isoleucine or valine' 0 C--O 1.267 2.023 0 CA-C-N 121.566 1.985 . . . . 0.0 112.806 166.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -94.62 -32.03 13.59 Favored 'General case' 0 N--CA 1.505 2.296 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 162.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -59.35 63.07 0.0 OUTLIER 'General case' 0 CA--C 1.567 1.626 0 C-N-CA 128.839 2.855 . . . . 0.0 107.165 146.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -176.88 -13.92 0.01 OUTLIER 'General case' 0 N--CA 1.537 3.894 1 C-N-CA 132.612 4.365 . . . . 0.0 113.213 174.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.4 mt -106.98 -122.91 0.24 Allowed 'General case' 0 CA--C 1.58 2.114 0 O-C-N 118.163 -2.835 . . . . 0.0 107.262 -165.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.55 -22.26 0.18 Allowed Glycine 0 CA--C 1.541 1.695 0 C-N-CA 129.693 3.52 . . . . 0.0 119.043 168.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -107.91 177.42 4.82 Favored 'General case' 0 CA--C 1.571 1.782 0 CA-C-O 124.548 2.118 . . . . 0.0 108.718 -167.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -93.76 -92.34 0.18 Allowed 'General case' 0 N--CA 1.515 2.782 0 C-N-CA 127.308 2.243 . . . . 0.0 108.71 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -50.06 -45.78 52.64 Favored 'General case' 0 C--N 1.393 2.49 0 O-C-N 117.671 -3.143 . . . . 0.0 112.859 -170.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -29.15 -49.53 0.08 Allowed 'General case' 0 N--CA 1.535 3.789 0 N-CA-C 118.315 2.709 . . . . 0.0 118.315 172.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.321 6.5 pt -97.99 -10.62 8.78 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.041 0 C-N-CA 128.068 2.547 . . . . 0.0 115.615 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.1 ttp85 -69.52 -22.28 63.6 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 129.598 3.159 . . . . 0.0 110.935 165.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . 0.252 17.0 mt -72.1 -52.12 26.51 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-N 113.89 -1.505 . . . . 0.0 109.503 169.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . 0.295 42.2 mtm -79.91 -36.61 36.15 Favored 'General case' 0 CA--C 1.611 3.292 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 -167.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.429 ' H ' HD13 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -23.6 -44.75 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.746 0 N-CA-C 118.254 2.687 . . . . 0.0 118.254 139.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.409 ' C ' ' H ' ' A' ' 36' ' ' SER 0.315 0.4 OUTLIER -95.45 -33.56 12.42 Favored 'General case' 0 C--O 1.277 2.524 0 CA-C-N 122.416 2.371 . . . . 0.0 111.648 -173.371 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.04 -8.08 14.67 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 119.295 -2.128 . . . . 0.0 115.188 174.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.409 ' H ' ' C ' ' A' ' 34' ' ' LEU . 63.5 m -86.81 -1.1 57.51 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-N 109.258 -3.61 . . . . 0.0 113.479 175.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 35.3 m -138.52 -44.51 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.584 2.275 0 C-N-CA 129.422 3.089 . . . . 0.0 118.914 167.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -142.74 112.5 6.9 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -73.84 125.76 28.89 Favored 'General case' 0 C--O 1.246 0.906 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 -169.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.76 152.54 49.14 Favored 'General case' 0 CA--C 1.597 2.754 0 CA-C-N 121.703 2.047 . . . . 0.0 111.075 -175.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.3 t -88.27 159.94 17.89 Favored 'General case' 0 C--O 1.183 -2.422 0 CA-C-N 111.659 -2.519 . . . . 0.0 116.218 163.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.1 t -10.42 -55.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.474 -1.965 0 CA-C-O 112.8 -3.476 . . . . 0.0 119.427 162.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.96 -42.99 50.78 Favored Glycine 0 CA--C 1.555 2.569 0 CA-C-N 124.787 3.449 . . . . 0.0 117.819 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.402 ' HE2' ' NE2' ' A' ' 48' ' ' GLN . 73.3 t60 -79.87 -36.11 37.14 Favored 'General case' 0 N--CA 1.435 -1.215 0 O-C-N 116.9 -3.706 . . . . 0.0 109.733 177.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.8 mt -48.79 -68.64 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.602 2.945 0 C-N-CA 115.89 -2.324 . . . . 0.0 109.816 170.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.9 m -49.28 -28.31 4.63 Favored 'General case' 0 CA--C 1.475 -1.918 0 CA-C-O 115.104 -2.379 . . . . 0.0 112.331 -175.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -82.4 -58.48 2.91 Favored 'General case' 0 CA--C 1.577 1.993 0 CA-C-N 122.702 2.501 . . . . 0.0 112.094 167.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.402 ' NE2' ' HE2' ' A' ' 44' ' ' HIS . 43.3 tt0 -57.18 -42.97 82.17 Favored 'General case' 0 N--CA 1.52 3.032 0 N-CA-C 117.166 2.284 . . . . 0.0 117.166 -176.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.7 mp -82.77 -20.1 36.52 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 118.903 -2.373 . . . . 0.0 114.456 169.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.9 m120 68.37 53.65 0.58 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 126.731 2.519 . . . . 0.0 115.336 -173.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.1 mt -98.83 -123.99 0.15 Allowed 'General case' 0 C--O 1.266 1.951 0 O-C-N 120.899 -1.126 . . . . 0.0 113.164 173.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.72 139.42 5.36 Favored 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 129.714 3.206 . . . . 0.0 106.75 -174.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -66.54 -38.13 86.46 Favored 'General case' 0 CA--C 1.577 2.017 0 CA-C-O 115.02 -2.419 . . . . 0.0 111.034 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.6 m -58.7 -37.22 75.62 Favored 'General case' 0 C--O 1.2 -1.509 0 CA-C-N 123.131 2.696 . . . . 0.0 113.423 169.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -83.24 -24.24 32.42 Favored 'General case' 0 C--N 1.288 -2.084 0 CA-C-N 120.507 1.503 . . . . 0.0 112.02 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.2 t -94.33 -22.28 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.29 1 O-C-N 113.393 -5.817 . . . . 0.0 109.695 176.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . 0.253 15.7 m -58.72 -0.83 0.12 Allowed 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 118.224 2.675 . . . . 0.0 118.224 152.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 61.3 t-80 -123.65 -51.65 1.82 Allowed 'General case' 0 N--CA 1.502 2.17 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -77.67 -34.56 52.97 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 118.303 -2.748 . . . . 0.0 113.966 -162.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.419 HD22 ' CD1' ' A' ' 80' ' ' TYR 0.29 12.3 tp -61.03 -45.04 96.42 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 117.23 -1.366 . . . . 0.0 109.508 167.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -63.3 -35.99 82.18 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 124.33 1.019 . . . . 0.0 112.217 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -60.56 -59.57 5.19 Favored 'General case' 0 CA--C 1.618 3.596 0 CA-C-N 113.337 -1.756 . . . . 0.0 110.415 174.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 37.7 mt -65.81 -29.03 69.45 Favored 'General case' 0 CA--C 1.489 -1.373 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.804 -167.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -41.38 88.75 Favored 'General case' 0 C--N 1.311 -1.101 0 C-N-CA 127.17 2.188 . . . . 0.0 112.676 175.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.2 m -70.86 -13.12 61.92 Favored 'General case' 0 CA--C 1.581 2.168 0 O-C-N 127.652 3.095 . . . . 0.0 114.116 166.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.419 27.5 m -114.8 19.38 7.2 Favored 'Isoleucine or valine' 0 C--O 1.253 1.271 0 O-C-N 124.218 0.949 . . . . 0.0 113.508 171.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.2 p80 48.67 24.8 0.85 Allowed 'General case' 0 C--N 1.372 1.581 0 C-N-CA 129.979 3.312 . . . . 0.0 114.436 172.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.2 mp -84.83 -23.3 29.12 Favored 'General case' 0 N--CA 1.533 3.711 0 C-N-CA 116.188 -2.205 . . . . 0.0 111.205 160.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.5 t -112.53 155.22 13.84 Favored 'Isoleucine or valine' 0 C--O 1.28 2.671 0 C-N-CA 125.969 1.708 . . . . 0.0 110.007 -179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -138.01 128.17 25.92 Favored 'General case' 0 N--CA 1.415 -2.21 0 C-N-CA 125.509 1.523 . . . . 0.0 107.243 176.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.49 147.62 35.77 Favored 'General case' 0 N--CA 1.521 3.077 0 O-C-N 119.902 -1.749 . . . . 0.0 115.085 163.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -126.28 135.02 51.03 Favored 'General case' 0 N--CA 1.517 2.89 0 C-N-CA 125.569 1.548 . . . . 0.0 111.929 153.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 . . . . . 0 CA--C 1.566 1.594 0 O-C-N 119.845 -1.785 . . . . 0.0 113.552 -178.351 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 73.0 mtm . . . . . 0 CA--C 1.593 2.616 0 N-CA-C 104.474 -2.417 . . . . 0.0 104.474 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.7 mm -90.87 148.94 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.152 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 161.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.419 ' CD1' HD22 ' A' ' 60' ' ' LEU . 70.4 m-85 -137.0 144.15 43.15 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 114.963 -2.446 . . . . 0.0 112.995 -165.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.1 m -140.86 172.43 12.7 Favored 'General case' 0 C--O 1.201 -1.486 0 C-N-CA 131.589 3.956 . . . . 0.0 109.167 -154.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.69 164.35 12.23 Favored 'General case' 0 C--O 1.2 -1.519 0 C-N-CA 119.343 -0.943 . . . . 0.0 110.648 157.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -76.29 -41.85 47.34 Favored 'General case' 0 C--N 1.317 -0.841 0 O-C-N 120.024 -1.672 . . . . 0.0 113.718 174.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.7 p30 -155.77 -173.39 4.51 Favored 'General case' 0 C--O 1.203 -1.366 0 CA-C-O 125.105 2.383 . . . . 0.0 110.037 158.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.0 tp -55.61 -27.98 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.052 0 CA-C-O 114.117 -2.849 . . . . 0.0 116.769 176.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.494 ' CD2' ' CD2' ' B' ' 96' ' ' HIS . 13.1 m80 -59.64 -57.75 11.57 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 126.939 2.649 . . . . 0.0 115.01 169.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -73.56 -34.35 41.85 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.442 0 O-C-N 119.082 -2.261 . . . . 0.0 110.244 -175.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.92 -32.61 66.12 Favored 'General case' 0 CA--C 1.615 3.461 0 CA-C-O 117.449 -1.263 . . . . 0.0 109.935 169.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 86.1 m -83.1 -36.28 24.96 Favored 'General case' 0 C--O 1.173 -2.922 0 CA-C-O 116.127 -1.892 . . . . 0.0 111.887 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 49.0 ttp -50.54 -62.99 1.27 Allowed 'General case' 0 N--CA 1.479 1.023 0 O-C-N 126.638 2.461 . . . . 0.0 110.233 173.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.429 HD13 ' H ' ' A' ' 33' ' ' GLU . 5.1 tt -59.21 -37.4 77.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.306 -1.496 . . . . 0.0 113.305 176.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -70.79 -31.2 67.89 Favored 'General case' 0 CA--C 1.488 -1.43 0 CA-C-O 114.323 -2.751 . . . . 0.0 111.337 -176.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -96.28 2.72 53.11 Favored 'General case' 0 C--N 1.291 -1.965 1 CA-C-N 126.601 4.273 . . . . 0.0 113.986 -178.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.496 ' C ' HG11 ' B' ' 16' ' ' VAL . . . -81.67 -53.33 6.31 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-O 114.127 -2.844 . . . . 0.0 107.663 151.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -61.06 15.34 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 128.645 2.778 . . . . 0.0 115.494 168.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.476 ' H ' ' C ' ' A' ' 94' ' ' ALA . 0.8 OUTLIER -128.99 -13.31 4.58 Favored 'General case' 0 C--O 1.186 -2.278 0 C-N-CA 129.091 2.956 . . . . 0.0 115.286 -179.642 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.527 ' CE1' ' HE1' ' A' ' 100' ' ' HIS . 19.1 t60 -116.3 -7.32 11.78 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 125.478 1.511 . . . . 0.0 113.799 169.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.459 ' HB1' HG13 ' B' ' 16' ' ' VAL . . . -54.44 -31.99 56.62 Favored 'General case' 0 CA--C 1.566 1.589 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 164.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -145.1 151.39 38.42 Favored 'General case' 0 N--CA 1.412 -2.363 0 C-N-CA 125.489 1.516 . . . . 0.0 110.742 174.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.527 ' HE1' ' CE1' ' A' ' 97' ' ' HIS . 17.2 m170 -129.28 53.57 11.91 Favored Pre-proline 0 C--O 1.25 1.129 0 O-C-N 127.127 2.767 . . . . 0.0 111.48 -175.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo . . . . . 0 C--O 1.284 2.779 0 CA-C-O 127.178 2.907 . . . . 0.0 115.24 177.276 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 36.7 p . . . . . 0 C--O 1.249 1.038 0 N-CA-C 113.04 0.755 . . . . 0.0 113.04 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 49.51 -42.13 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.56 1 C-N-CA 133.132 4.573 . . . . 0.0 115.725 -165.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 63.4 p -114.56 -52.94 2.69 Favored 'General case' 0 C--O 1.252 1.185 0 O-C-N 125.87 1.981 . . . . 0.0 116.107 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.21 -48.06 24.21 Favored 'General case' 0 N--CA 1.511 2.608 0 O-C-N 117.053 -3.53 . . . . 0.0 120.125 -170.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -66.52 5.11 0.63 Allowed 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 128.195 2.598 . . . . 0.0 115.409 174.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.97 -22.82 2.03 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 113.858 -1.519 . . . . 0.0 108.715 -174.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.496 HG11 ' C ' ' A' ' 94' ' ' ALA . 25.7 m -93.52 -6.22 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.614 0 O-C-N 118.388 -2.695 . . . . 0.0 115.657 165.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 54.3 p -64.03 -29.92 71.03 Favored 'General case' 0 CA--C 1.577 1.988 0 N-CA-C 105.923 -1.88 . . . . 0.0 105.923 167.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -54.01 -39.17 65.87 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 124.726 1.211 . . . . 0.0 113.867 165.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 53.9 mt -86.12 -57.75 4.04 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.193 0 CA-C-O 123.649 1.69 . . . . 0.0 110.74 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -78.74 -12.69 60.03 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 119.527 -1.983 . . . . 0.0 110.447 -156.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.5 pttm -83.08 -36.67 24.7 Favored 'General case' 0 C--O 1.243 0.761 1 O-C-N 116.254 -4.029 . . . . 0.0 114.272 159.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.27 -14.4 62.96 Favored 'General case' 0 C--O 1.207 -1.177 0 CA-C-O 123.803 1.763 . . . . 0.0 115.331 -170.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 22.6 mt -65.55 -11.36 43.15 Favored 'General case' 0 CA--C 1.575 1.93 0 CA-C-N 110.892 -2.867 . . . . 0.0 118.028 -174.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.2 35.76 0.31 Allowed Glycine 0 CA--C 1.559 2.833 0 C-N-CA 130.486 3.898 . . . . 0.0 116.354 -173.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -144.29 127.86 17.06 Favored 'General case' 0 N--CA 1.508 2.471 0 CA-C-N 120.441 2.12 . . . . 0.0 105.472 161.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -29.43 69.43 Favored 'General case' 0 CA--C 1.595 2.682 0 O-C-N 118.991 -2.318 . . . . 0.0 106.86 -177.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -72.04 -41.03 67.96 Favored 'General case' 0 CA--C 1.577 1.982 0 O-C-N 119.216 -2.178 . . . . 0.0 109.499 -172.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -50.57 -35.45 29.99 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 125.486 2.565 . . . . 0.0 114.776 167.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 13.8 mm -91.34 -28.4 4.78 Favored 'Isoleucine or valine' 0 C--O 1.261 1.695 0 CA-C-N 111.85 -2.432 . . . . 0.0 111.008 -169.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . 0.31 11.5 ttt180 -70.32 -33.54 71.63 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 118.75 -2.469 . . . . 0.0 108.374 171.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 26.2 mt -52.93 -47.58 52.84 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.606 0 O-C-N 124.65 1.219 . . . . 0.0 113.868 161.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 75.7 mtm -97.08 -33.52 11.49 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-N 121.699 2.045 . . . . 0.0 112.169 -158.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.548 ' H ' HD13 ' B' ' 91' ' ' LEU . 2.8 tm-20 -34.75 -63.92 0.29 Allowed 'General case' 0 CA--C 1.572 1.804 0 O-C-N 125.33 1.644 . . . . 0.0 112.987 140.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -57.93 -44.47 86.93 Favored 'General case' 0 C--N 1.365 1.258 0 CA-C-N 121.149 1.795 . . . . 0.0 115.356 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.418 HD22 ' H ' ' B' ' 40' ' ' ALA . 79.6 mt -58.92 -33.51 70.66 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-O 126.707 3.146 . . . . 0.0 110.178 -172.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 6.0 p -66.19 -17.86 64.99 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 112.089 -2.323 . . . . 0.0 113.831 -172.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 35.4 m -106.88 -47.85 8.37 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.601 0 O-C-N 127.355 2.91 . . . . 0.0 117.622 165.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 33.1 m -140.47 137.36 33.82 Favored 'General case' 0 CA--C 1.494 -1.197 0 CA-C-N 123.483 2.856 . . . . 0.0 110.981 158.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.99 144.17 53.87 Favored 'General case' 0 C--O 1.293 3.38 0 CA-C-O 117.662 -1.161 . . . . 0.0 111.391 -176.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.418 ' H ' HD22 ' B' ' 35' ' ' LEU . . . -140.54 157.23 45.79 Favored 'General case' 0 CA--C 1.602 2.946 0 CA-C-N 119.994 1.27 . . . . 0.0 108.481 166.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 26.6 t -117.18 156.89 26.9 Favored 'General case' 0 N--CA 1.424 -1.751 0 C-N-CA 125.546 1.539 . . . . 0.0 113.727 169.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 99.5 t -16.86 -56.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.137 1 C-N-CA 132.228 4.211 . . . . 0.0 113.565 -171.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.75 -46.67 7.69 Favored Glycine 0 N--CA 1.494 2.512 0 CA-C-N 122.337 2.335 . . . . 0.0 110.146 -169.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 -55.6 -50.73 69.34 Favored 'General case' 0 CA--C 1.567 1.603 0 CA-C-O 115.856 -2.021 . . . . 0.0 113.075 168.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 55.7 mt -56.07 -47.63 80.11 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 CA-C-N 122.669 2.486 . . . . 0.0 108.791 177.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 72.3 m -56.22 -32.17 64.18 Favored 'General case' 0 CA--C 1.604 3.021 0 O-C-N 118.105 -2.872 . . . . 0.0 115.204 174.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.44 -53.7 7.33 Favored 'General case' 0 CA--C 1.585 2.313 0 C-N-CA 116.528 -2.069 . . . . 0.0 113.153 167.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -57.56 -34.38 69.13 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.24 2.216 . . . . 0.0 114.809 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 6.0 mp -111.48 8.89 21.27 Favored 'General case' 0 C--N 1.269 -2.913 0 C-N-CA 128.666 2.786 . . . . 0.0 113.524 -177.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 35.2 m120 42.24 56.42 3.65 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-O 123.847 1.784 . . . . 0.0 109.64 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 14.7 mt -115.35 168.59 9.84 Favored 'General case' 0 C--N 1.358 0.962 0 O-C-N 118.72 -2.487 . . . . 0.0 105.031 171.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.1 t -68.74 140.14 55.36 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 120.552 3.538 . . . . 0.0 120.552 161.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -60.92 -39.74 90.55 Favored 'General case' 0 C--O 1.211 -0.93 0 C-N-CA 124.661 1.184 . . . . 0.0 110.6 177.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.4 -22.1 66.75 Favored 'General case' 0 C--O 1.254 1.303 0 C-N-CA 125.181 1.392 . . . . 0.0 114.325 170.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . 0.256 14.9 t-20 -76.97 -48.92 16.7 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 126.586 1.955 . . . . 0.0 106.466 177.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.51 ' C ' ' H ' ' B' ' 58' ' ' HIS . 21.2 t -79.43 -25.29 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.969 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -178.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 60.4 m -56.89 -2.57 0.09 Allowed 'General case' 0 N--CA 1.513 2.679 0 O-C-N 118.584 -2.572 . . . . 0.0 113.378 165.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . 0.51 ' H ' ' C ' ' B' ' 56' ' ' VAL . 54.3 t-80 -129.24 -37.91 1.62 Allowed 'General case' 0 N--CA 1.511 2.614 0 O-C-N 120.442 -1.412 . . . . 0.0 112.808 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -79.76 -33.82 40.34 Favored 'General case' 0 C--O 1.208 -1.088 0 O-C-N 128.047 3.342 . . . . 0.0 108.74 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.0 tp -65.63 -31.63 72.76 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 172.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -71.16 -39.53 71.86 Favored 'General case' 0 C--O 1.272 2.246 0 N-CA-C 117.697 2.48 . . . . 0.0 117.697 168.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -55.24 -52.81 62.2 Favored 'General case' 0 CA--C 1.491 -1.32 0 CA-C-O 122.397 1.094 . . . . 0.0 111.787 170.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 19.6 mt -60.03 -37.19 79.05 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 125.809 1.644 . . . . 0.0 113.505 -174.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -59.22 -54.28 48.7 Favored 'General case' 0 C--O 1.206 -1.223 1 CA-C-N 107.947 -4.206 . . . . 0.0 112.574 172.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . 0.266 5.4 m -58.97 -14.34 9.01 Favored 'General case' 0 N--CA 1.518 2.975 0 CA-C-O 114.149 -2.834 . . . . 0.0 112.583 170.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . 0.25 29.5 m -121.81 28.24 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.931 0 CA-C-N 124.749 3.431 . . . . 0.0 110.153 177.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . 0.323 13.8 m170 70.02 -0.64 2.68 Favored 'General case' 0 C--O 1.264 1.841 0 O-C-N 118.201 -2.812 . . . . 0.0 117.698 155.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 3.6 mp -84.32 -16.69 42.08 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-N 124.071 3.123 . . . . 0.0 117.358 165.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 t -117.17 143.24 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 127.82 2.448 . . . . 0.0 111.902 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -127.21 153.47 46.05 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 127.233 2.213 . . . . 0.0 109.522 158.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -101.76 148.35 25.39 Favored 'General case' 0 CA--C 1.564 1.517 0 C-N-CA 129.052 2.941 . . . . 0.0 114.155 162.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 35.8 pttt . . . . . 0 C--N 1.306 -1.289 0 C-N-CA 126.083 1.753 . . . . 0.0 115.682 173.462 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 38.0 ttm . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 116.038 -1.934 . . . . 0.0 106.048 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 15.9 mm -101.17 145.88 10.58 Favored 'Isoleucine or valine' 0 C--O 1.265 1.874 0 CA-C-N 124.878 3.49 . . . . 0.0 103.877 -174.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -123.1 135.37 54.35 Favored 'General case' 0 CA--C 1.59 2.502 0 O-C-N 116.773 -3.704 . . . . 0.0 110.165 -174.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.18 177.71 4.63 Favored 'General case' 0 CA--C 1.483 -1.607 0 C-N-CA 131.564 3.946 . . . . 0.0 115.66 -174.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 22.7 mt -75.35 142.39 43.18 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 127.922 2.489 . . . . 0.0 104.992 155.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -69.9 -53.3 18.59 Favored 'General case' 0 C--N 1.388 2.251 0 CA-C-N 119.434 1.016 . . . . 0.0 110.917 -174.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . 0.275 3.9 p30 -138.73 171.4 14.4 Favored 'General case' 0 CA--C 1.624 3.804 0 CA-C-O 126.682 3.134 . . . . 0.0 111.358 141.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 2.5 pp -66.4 0.95 0.68 Allowed 'Isoleucine or valine' 0 C--O 1.215 -0.726 0 N-CA-C 117.448 2.388 . . . . 0.0 117.448 175.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -57.55 -58.25 9.11 Favored 'General case' 0 C--N 1.362 1.144 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 161.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 3.4 m -75.15 -23.92 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 120.851 -1.156 . . . . 0.0 111.694 -170.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.58 -37.38 83.63 Favored 'General case' 0 C--O 1.19 -2.039 0 CA-C-O 121.841 0.829 . . . . 0.0 109.871 171.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 61.3 m -73.15 -44.67 59.71 Favored 'General case' 0 C--O 1.259 1.598 0 CA-C-O 114.951 -2.452 . . . . 0.0 109.391 178.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -47.36 -46.47 25.76 Favored 'General case' 0 C--O 1.255 1.369 0 CA-C-N 121.371 1.896 . . . . 0.0 111.565 167.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.548 HD13 ' H ' ' B' ' 33' ' ' GLU . 5.5 tt -75.55 -48.55 21.94 Favored 'General case' 0 N--CA 1.418 -2.072 0 O-C-N 124.138 0.899 . . . . 0.0 111.961 -168.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -52.68 -35.48 55.34 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 115.667 -2.111 . . . . 0.0 115.398 167.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -77.84 -24.12 48.73 Favored 'General case' 0 N--CA 1.511 2.624 0 O-C-N 126.142 2.151 . . . . 0.0 111.061 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.14 -52.46 12.46 Favored 'General case' 0 CA--C 1.598 2.793 0 CA-C-O 114.634 -2.603 . . . . 0.0 109.971 174.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 1.6 mp -44.38 -47.65 2.38 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.875 0 C-N-CA 126.293 1.837 . . . . 0.0 111.201 161.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . 0.494 ' CD2' ' CD2' ' A' ' 86' ' ' HIS . 3.7 t60 -65.44 -49.37 69.41 Favored 'General case' 0 CA--C 1.576 1.943 0 O-C-N 124.116 0.885 . . . . 0.0 113.064 -173.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -64.35 -20.44 66.11 Favored 'General case' 0 CA--C 1.583 2.216 0 CA-C-O 114.474 -2.679 . . . . 0.0 116.652 174.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -95.91 0.96 52.62 Favored 'General case' 0 CA--C 1.571 1.783 0 CA-C-N 121.377 1.898 . . . . 0.0 111.229 174.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -144.56 62.72 1.32 Allowed 'General case' 0 C--O 1.265 1.91 0 O-C-N 119.254 -2.154 . . . . 0.0 110.876 172.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 67.6 m170 . . . . . 0 CA--C 1.557 1.214 0 CA-C-O 115.96 -1.971 . . . . 0.0 107.583 172.639 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.454 ' HB ' ' HB2' ' A' ' 13' ' ' LEU . 3.0 p . . . . . 0 N--CA 1.5 2.038 0 CA-C-O 113.275 -3.25 . . . . 0.0 112.212 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.298 11.9 m-20 60.13 -49.37 0.09 Allowed 'General case' 0 C--N 1.382 2.018 0 O-C-N 128.22 3.45 . . . . 0.0 118.135 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.9 p -127.6 -20.71 3.91 Favored 'General case' 0 N--CA 1.425 -1.696 0 O-C-N 118.582 -2.574 . . . . 0.0 109.006 170.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.454 ' HB2' ' HB ' ' A' ' 10' ' ' THR . 2.4 mm? -56.41 -33.08 65.45 Favored 'General case' 0 C--O 1.18 -2.561 0 C-N-CA 129.869 3.268 . . . . 0.0 116.207 -162.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -71.53 -28.09 63.64 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 105.531 -2.026 . . . . 0.0 105.531 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -84.72 -5.29 59.31 Favored 'General case' 0 C--O 1.209 -1.049 0 CA-C-O 121.908 0.861 . . . . 0.0 112.246 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.477 HG12 ' CZ ' ' A' ' 20' ' ' PHE . 11.3 t -100.01 -38.63 6.74 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.317 0 C-N-CA 127.054 2.142 . . . . 0.0 107.773 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.7 p -72.26 -14.9 61.89 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 119.072 -2.267 . . . . 0.0 106.272 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -64.78 -35.99 82.88 Favored 'General case' 0 N--CA 1.514 2.738 0 N-CA-C 104.829 -2.285 . . . . 0.0 104.829 169.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.388 2.1 pp -102.93 21.46 2.59 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 CA-C-O 113.35 -3.214 . . . . 0.0 112.426 -177.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.477 ' CZ ' HG12 ' A' ' 16' ' ' VAL . 8.3 m-85 -107.93 -27.69 10.04 Favored 'General case' 0 CA--C 1.564 1.491 0 CA-C-N 122.864 2.575 . . . . 0.0 112.415 161.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -77.91 69.65 4.17 Favored 'General case' 0 C--O 1.274 2.377 0 CA-C-O 127.801 3.667 . . . . 0.0 107.727 161.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -169.67 -42.21 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 110.829 -2.896 . . . . 0.0 109.682 -174.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.3 mt -75.47 -128.48 0.01 OUTLIER 'General case' 0 CA--C 1.58 2.134 0 C-N-CA 129.662 3.185 . . . . 0.0 108.472 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.46 7.35 7.39 Favored Glycine 2 N--CA 1.529 4.893 0 N-CA-C 121.854 3.502 . . . . 0.0 121.854 169.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . 0.362 49.9 t0 -137.89 160.64 38.76 Favored 'General case' 0 N--CA 1.503 2.189 0 C-N-CA 126.393 1.877 . . . . 0.0 108.992 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -86.32 -68.65 0.72 Allowed 'General case' 0 C--O 1.28 2.708 0 CA-C-O 126.738 3.161 . . . . 0.0 117.358 -171.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -56.57 -51.71 67.58 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 117.133 -3.48 . . . . 0.0 107.345 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -27.02 -35.7 0.01 OUTLIER 'General case' 0 C--O 1.195 -1.8 0 N-CA-C 118.614 2.82 . . . . 0.0 118.614 171.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.265 2.3 pt -111.53 -21.2 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.637 0 CA-C-O 113.945 -2.931 . . . . 0.0 113.693 173.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.9 ttp85 -57.52 -16.73 10.7 Favored 'General case' 0 N--CA 1.519 2.989 0 O-C-N 125.456 1.722 . . . . 0.0 111.768 162.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.6 mt -84.86 -34.46 9.1 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.899 0 O-C-N 120.022 -1.674 . . . . 0.0 112.28 176.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.1 mtm -84.21 -34.13 23.99 Favored 'General case' 0 CA--C 1.578 2.043 0 O-C-N 117.202 -3.436 . . . . 0.0 112.292 -175.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.484 ' H ' HD12 ' A' ' 91' ' ' LEU . 1.5 tm-20 -37.81 -39.74 0.38 Allowed 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 150.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -83.38 -49.82 8.96 Favored 'General case' 0 C--O 1.197 -1.69 0 O-C-N 119.06 -2.275 . . . . 0.0 112.972 177.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 85.2 mt -53.8 -28.28 34.18 Favored 'General case' 0 C--O 1.262 1.74 0 O-C-N 118.635 -2.54 . . . . 0.0 114.792 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.2 m -57.09 -16.62 7.9 Favored 'General case' 0 CA--C 1.569 1.68 0 O-C-N 127.948 3.28 . . . . 0.0 119.141 169.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.2 m -125.26 -25.01 1.77 Allowed 'Isoleucine or valine' 0 C--O 1.301 3.777 0 O-C-N 128.142 3.401 . . . . 0.0 113.155 172.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.4 m -153.31 113.19 3.9 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 117.719 -3.113 . . . . 0.0 110.087 165.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -55.06 117.98 3.93 Favored 'General case' 0 C--O 1.269 2.096 0 C-N-CA 125.377 1.471 . . . . 0.0 112.845 174.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.82 160.46 33.41 Favored 'General case' 0 N--CA 1.423 -1.791 0 C-N-CA 127.939 2.496 . . . . 0.0 113.185 -175.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.0 t -129.47 158.91 37.88 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 117.565 -3.209 . . . . 0.0 111.381 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.6 t -23.54 -53.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.527 3.386 0 C-N-CA 129.351 3.06 . . . . 0.0 118.198 -173.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.67 -52.85 49.49 Favored Glycine 0 CA--C 1.469 -2.809 0 CA-C-O 116.653 -2.193 . . . . 0.0 113.428 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.538 ' HE2' ' NE2' ' A' ' 48' ' ' GLN . 9.6 t60 -69.86 -36.71 75.73 Favored 'General case' 0 C--N 1.401 2.823 0 C-N-CA 127.824 2.45 . . . . 0.0 110.024 -179.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . 0.271 96.1 mt -51.79 -60.7 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.19 -2.067 0 O-C-N 119.522 -1.986 . . . . 0.0 113.23 175.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.0 m -55.92 -6.76 0.25 Allowed 'General case' 0 C--O 1.24 0.589 0 CA-C-N 111.519 -2.582 . . . . 0.0 115.519 -173.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -124.97 -34.51 2.78 Favored 'General case' 0 C--N 1.373 1.589 0 O-C-N 119.326 -2.109 . . . . 0.0 113.921 -176.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.538 ' NE2' ' HE2' ' A' ' 44' ' ' HIS . 43.6 tt0 -79.56 -34.75 40.68 Favored 'General case' 0 C--O 1.254 1.294 0 C-N-CA 126.868 2.067 . . . . 0.0 112.05 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.0 mp -103.81 9.34 37.0 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 117.95 -1.024 . . . . 0.0 111.38 171.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.297 2.3 m120 41.64 64.35 1.07 Allowed 'General case' 0 C--N 1.309 -1.168 1 C-N-CA 134.965 5.306 . . . . 0.0 116.371 -174.686 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.2 mt -106.03 -125.18 0.23 Allowed 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 116.817 -1.563 . . . . 0.0 110.494 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.8 p -163.88 154.85 15.92 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 122.027 2.194 . . . . 0.0 107.16 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -69.3 -44.09 72.47 Favored 'General case' 0 C--N 1.364 1.23 0 O-C-N 119.662 -1.899 . . . . 0.0 112.767 -165.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . 0.321 0.8 OUTLIER -67.11 -29.24 68.93 Favored 'General case' 0 CA--C 1.561 1.401 0 O-C-N 128.313 3.508 . . . . 0.0 109.171 178.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -71.86 -38.93 69.99 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 121.84 2.109 . . . . 0.0 106.358 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.493 ' C ' ' H ' ' A' ' 58' ' ' HIS . 63.1 t -82.68 -31.51 9.47 Favored 'Isoleucine or valine' 0 C--O 1.253 1.242 0 CA-C-O 117.439 -1.267 . . . . 0.0 111.886 -175.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.5 m -62.34 8.13 0.05 Allowed 'General case' 0 C--N 1.283 -2.306 0 O-C-N 125.167 1.542 . . . . 0.0 112.764 171.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.493 ' H ' ' C ' ' A' ' 56' ' ' VAL . 41.1 t-80 -128.36 -37.24 1.85 Allowed 'General case' 0 CA--C 1.593 2.604 0 C-N-CA 128.53 2.732 . . . . 0.0 109.832 175.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -89.67 -43.69 10.55 Favored 'General case' 0 CA--C 1.585 2.301 0 CA-C-O 115.939 -1.981 . . . . 0.0 108.296 -168.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 tp -46.62 -55.27 7.93 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-N 119.004 0.82 . . . . 0.0 112.038 158.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -62.46 -35.17 78.47 Favored 'General case' 0 N--CA 1.444 -0.771 0 O-C-N 118.703 -2.498 . . . . 0.0 113.365 -178.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.89 -54.94 14.93 Favored 'General case' 0 C--N 1.292 -1.894 0 CA-C-N 120.353 1.433 . . . . 0.0 112.732 174.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.9 mt -53.8 -30.26 44.17 Favored 'General case' 0 CA--C 1.567 1.607 0 O-C-N 126.565 2.415 . . . . 0.0 112.572 -173.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -52.68 -43.23 65.44 Favored 'General case' 0 CA--C 1.484 -1.589 0 C-N-CA 130.726 3.611 . . . . 0.0 115.5 171.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.1 m -82.29 -13.96 56.15 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 125.963 1.705 . . . . 0.0 109.471 -173.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.3 m -115.16 20.02 6.95 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.691 0 CA-C-O 117.177 -1.392 . . . . 0.0 113.393 -177.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.404 16.4 p80 60.08 24.37 13.61 Favored 'General case' 0 C--O 1.258 1.55 0 C-N-CA 129.162 2.985 . . . . 0.0 118.316 166.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.9 mp -97.08 -13.68 22.05 Favored 'General case' 0 CA--C 1.575 1.938 0 O-C-N 119.372 -2.08 . . . . 0.0 111.037 167.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.2 t -133.55 149.38 30.99 Favored 'Isoleucine or valine' 0 CA--C 1.62 3.662 0 O-C-N 128.4 3.563 . . . . 0.0 113.78 -174.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -152.24 116.49 4.97 Favored 'General case' 0 C--N 1.365 1.262 1 O-C-N 129.198 4.061 . . . . 0.0 108.969 -172.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.426 ' HB2' ' CE2' ' A' ' 80' ' ' TYR . . . -69.04 157.83 36.01 Favored 'General case' 0 N--CA 1.509 2.521 0 N-CA-C 117.07 2.248 . . . . 0.0 117.07 168.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -161.5 156.76 23.94 Favored 'General case' 0 C--O 1.2 -1.514 0 O-C-N 126.817 2.573 . . . . 0.0 114.046 168.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 . . . . . 0 C--O 1.21 -0.999 0 O-C-N 119.028 -2.295 . . . . 0.0 113.98 -174.01 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 97.7 mmm . . . . . 0 N--CA 1.522 3.134 0 N-CA-C 102.477 -3.157 . . . . 0.0 102.477 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . 0.349 21.6 mm -91.99 138.96 18.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 C-N-CA 125.916 1.686 . . . . 0.0 110.634 -175.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.426 ' CE2' ' HB2' ' A' ' 71' ' ' ALA . 15.0 m-85 -118.18 145.0 45.27 Favored 'General case' 0 N--CA 1.438 -1.026 1 O-C-N 114.286 -5.259 . . . . 0.0 112.069 -174.515 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . 0.256 26.1 m -130.85 169.41 15.79 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 130.229 3.412 . . . . 0.0 114.854 -177.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -55.24 147.32 16.84 Favored 'General case' 0 N--CA 1.52 3.051 0 C-N-CA 124.088 0.955 . . . . 0.0 108.965 154.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.27 -46.57 89.37 Favored 'General case' 0 N--CA 1.527 3.384 0 O-C-N 124.811 1.32 . . . . 0.0 110.408 174.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -158.14 165.13 35.74 Favored 'General case' 0 N--CA 1.412 -2.326 0 CA-C-N 121.941 2.155 . . . . 0.0 115.044 169.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.431 ' H ' HG22 ' A' ' 85' ' ' ILE . 9.9 tp -46.52 -25.7 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.586 2.359 0 O-C-N 116.876 -3.64 . . . . 0.0 115.582 172.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -57.21 -52.87 63.58 Favored 'General case' 0 C--O 1.272 2.237 2 CA-C-N 128.027 4.921 . . . . 0.0 110.649 170.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.412 HG11 ' H ' ' A' ' 87' ' ' VAL . 0.8 OUTLIER -69.99 -32.61 52.08 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.288 0 CA-C-O 117.866 -1.064 . . . . 0.0 113.098 -178.104 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.51 -41.16 72.7 Favored 'General case' 0 CA--C 1.589 2.454 0 O-C-N 124.508 1.13 . . . . 0.0 112.283 168.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.1 m -71.36 -47.49 56.01 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 113.596 -1.638 . . . . 0.0 107.204 -169.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 26.9 ttp -38.85 -51.73 1.74 Allowed 'General case' 0 C--O 1.197 -1.695 0 C-N-CA 126.164 1.786 . . . . 0.0 111.663 171.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.484 HD12 ' H ' ' A' ' 33' ' ' GLU . 6.0 tt -81.79 -34.36 30.38 Favored 'General case' 0 CA--C 1.484 -1.564 0 O-C-N 120.829 -1.169 . . . . 0.0 112.612 -173.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.7 tttp -69.81 -44.05 70.81 Favored 'General case' 0 C--O 1.191 -1.983 0 O-C-N 123.96 0.788 . . . . 0.0 110.688 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -72.58 -25.68 61.43 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 178.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.39 -42.81 58.64 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-O 115.923 -1.989 . . . . 0.0 111.603 167.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.429 HD13 ' CG1' ' B' ' 16' ' ' VAL 0.304 0.4 OUTLIER -45.52 -19.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.903 0 CA-C-O 127.9 3.714 . . . . 0.0 116.77 157.87 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -105.21 -12.69 15.98 Favored 'General case' 0 C--O 1.264 1.843 0 O-C-N 117.976 -2.952 . . . . 0.0 111.207 -174.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -92.62 -24.29 18.73 Favored 'General case' 0 C--O 1.253 1.265 0 CA-C-N 122.242 2.292 . . . . 0.0 108.804 167.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.35 -22.95 55.34 Favored 'General case' 0 C--O 1.247 0.957 0 O-C-N 119.16 -2.213 . . . . 0.0 116.339 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -150.37 155.87 40.44 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 125.62 1.825 . . . . 0.0 108.326 171.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -132.66 58.74 38.27 Favored Pre-proline 0 N--CA 1.503 2.214 0 O-C-N 126.839 2.587 . . . . 0.0 114.811 -175.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 C--N 1.394 2.96 0 N-CA-C 120.145 3.094 . . . . 0.0 120.145 -147.269 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 32.4 p . . . . . 0 CA--C 1.55 0.955 0 CA-C-O 117.135 -1.412 . . . . 0.0 114.628 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 48.69 -8.41 0.0 OUTLIER 'General case' 0 CA--C 1.566 1.568 0 C-N-CA 129.667 3.187 . . . . 0.0 115.83 -164.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 38.8 p -138.28 -76.02 0.38 Allowed 'General case' 0 N--CA 1.524 3.241 0 C-N-CA 130.361 3.464 . . . . 0.0 109.174 -152.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.403 ' C ' ' H ' ' B' ' 15' ' ' ARG . 0.6 OUTLIER -54.31 -53.91 47.48 Favored 'General case' 0 N--CA 1.415 -2.193 0 CA-C-N 120.937 1.699 . . . . 0.0 115.429 177.258 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -71.15 14.72 0.14 Allowed 'General case' 0 N--CA 1.522 3.137 0 C-N-CA 117.625 -1.63 . . . . 0.0 113.452 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.403 ' H ' ' C ' ' B' ' 13' ' ' LEU . 0.3 OUTLIER -125.66 -23.0 4.12 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 118.277 2.695 . . . . 0.0 118.277 164.564 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.429 ' CG1' HD13 ' A' ' 95' ' ' ILE . 20.9 m -80.83 -16.16 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.138 0 CA-C-N 120.87 1.668 . . . . 0.0 113.606 168.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 3.8 p -49.93 -42.38 48.26 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 125.17 1.388 . . . . 0.0 107.701 166.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -55.35 -44.72 76.22 Favored 'General case' 0 C--O 1.287 3.059 0 N-CA-C 117.752 2.501 . . . . 0.0 117.752 169.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 22.7 mt -77.84 -66.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.37 1.486 0 O-C-N 119.5 -2.0 . . . . 0.0 113.268 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.415 ' CZ ' ' HA ' ' A' ' 91' ' ' LEU . 1.6 m-30 -51.02 -34.15 28.2 Favored 'General case' 0 N--CA 1.514 2.769 0 C-N-CA 128.037 2.535 . . . . 0.0 115.041 -167.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 29.9 pttt -77.75 -35.67 51.53 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 125.673 1.858 . . . . 0.0 113.899 175.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.78 3.46 19.45 Favored 'General case' 0 C--O 1.264 1.857 0 O-C-N 128.307 3.504 . . . . 0.0 119.715 -168.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 mt -81.64 -11.88 58.92 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 130.562 3.545 . . . . 0.0 111.46 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.94 24.04 0.25 Allowed Glycine 0 CA--C 1.548 2.151 1 N-CA-C 123.235 4.054 . . . . 0.0 123.235 -165.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -129.85 127.19 39.75 Favored 'General case' 0 CA--C 1.501 -0.907 0 C-N-CA 128.159 2.584 . . . . 0.0 106.895 171.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -65.32 -24.44 67.28 Favored 'General case' 0 N--CA 1.439 -1.021 0 O-C-N 124.792 1.307 . . . . 0.0 108.531 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -67.55 -44.51 78.1 Favored 'General case' 0 N--CA 1.503 2.192 1 O-C-N 116.182 -4.074 . . . . 0.0 109.399 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -56.89 -31.22 64.65 Favored 'General case' 0 CA--C 1.511 -0.545 0 O-C-N 126.558 2.411 . . . . 0.0 110.991 178.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 33.7 mm -97.6 -38.55 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.555 0 CA-C-O 117.811 -1.09 . . . . 0.0 111.206 -167.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 26.7 ttt-85 -67.11 -24.24 65.91 Favored 'General case' 0 CA--C 1.599 2.846 0 CA-C-O 117.689 -1.148 . . . . 0.0 108.064 174.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.6 mt -67.76 -29.48 45.25 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.158 0 CA-C-O 113.664 -3.065 . . . . 0.0 112.0 167.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 75.2 mtm -101.78 -32.12 10.43 Favored 'General case' 0 C--O 1.187 -2.213 0 CA-C-N 124.079 3.127 . . . . 0.0 112.573 -171.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.459 ' H ' HD11 ' B' ' 91' ' ' LEU . 2.7 tm-20 -35.37 -56.63 0.63 Allowed 'General case' 1 N--CA 1.543 4.221 0 C-N-CA 125.2 1.4 . . . . 0.0 112.675 140.35 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . 0.255 0.4 OUTLIER -68.76 -53.94 18.93 Favored 'General case' 0 C--O 1.25 1.115 0 O-C-N 119.83 -1.794 . . . . 0.0 113.788 177.371 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 21.4 mt -59.11 -33.42 70.83 Favored 'General case' 0 C--O 1.257 1.488 0 O-C-N 116.997 -3.564 . . . . 0.0 114.805 -170.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 84.3 p -76.38 -9.39 58.61 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 108.638 -3.892 . . . . 0.0 113.063 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 m -111.53 -38.83 3.32 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 O-C-N 117.555 -3.216 . . . . 0.0 114.487 167.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 6.3 t -149.86 130.99 14.45 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 119.759 -1.838 . . . . 0.0 113.601 167.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -80.34 132.26 35.77 Favored 'General case' 0 N--CA 1.51 2.561 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 -169.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -135.23 152.07 51.2 Favored 'General case' 0 CA--C 1.555 1.141 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 171.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.423 ' HB2' ' HA ' ' B' ' 79' ' ' ILE . 23.5 t -92.54 152.83 19.41 Favored 'General case' 0 CA--C 1.48 -1.717 0 O-C-N 127.135 2.772 . . . . 0.0 112.825 168.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 t -17.63 -60.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.362 1.123 0 C-N-CA 126.775 2.03 . . . . 0.0 116.283 170.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.46 -43.15 66.38 Favored Glycine 0 CA--C 1.564 3.155 0 CA-C-O 122.364 0.98 . . . . 0.0 112.857 -176.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -89.09 -34.68 16.67 Favored 'General case' 0 C--O 1.191 -1.993 0 CA-C-O 114.4 -2.714 . . . . 0.0 106.708 -175.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 84.3 mt -53.85 -45.85 63.08 Favored 'Isoleucine or valine' 0 C--N 1.368 1.374 0 CA-C-N 121.002 1.728 . . . . 0.0 112.32 170.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 19.9 m -53.66 -32.86 53.21 Favored 'General case' 0 N--CA 1.405 -2.679 0 CA-C-O 115.123 -2.37 . . . . 0.0 110.893 176.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -83.94 -47.98 10.46 Favored 'General case' 0 N--CA 1.528 3.457 0 CA-C-O 113.51 -3.138 . . . . 0.0 113.112 166.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -71.18 -13.57 61.97 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 121.669 2.031 . . . . 0.0 113.55 -170.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 mp -128.4 15.45 6.61 Favored 'General case' 0 C--O 1.186 -2.25 0 O-C-N 116.785 -3.697 . . . . 0.0 115.014 170.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 27.2 m120 50.76 48.74 22.3 Favored 'General case' 0 CA--C 1.595 2.703 0 C-N-CA 127.843 2.457 . . . . 0.0 110.775 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 26.6 mt -101.25 149.75 23.68 Favored 'General case' 0 C--O 1.267 1.986 0 C-N-CA 125.967 1.707 . . . . 0.0 109.674 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 8.2 p -79.1 151.71 31.24 Favored 'General case' 0 C--N 1.301 -1.523 1 O-C-N 114.813 -4.929 . . . . 0.0 114.176 165.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . 0.294 22.2 tt0 -69.98 -38.85 76.14 Favored 'General case' 0 CA--C 1.595 2.71 0 C-N-CA 117.102 -1.839 . . . . 0.0 112.666 -166.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 19.9 m -63.9 -22.32 66.87 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -82.49 -52.84 6.48 Favored 'General case' 0 N--CA 1.511 2.582 0 C-N-CA 129.132 2.973 . . . . 0.0 110.261 171.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.523 ' C ' ' H ' ' B' ' 58' ' ' HIS . 47.1 t -64.66 -39.11 84.47 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.999 0 N-CA-C 116.726 2.121 . . . . 0.0 116.726 177.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 16.4 m -47.13 -4.06 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.75 0 C-N-CA 128.513 2.725 . . . . 0.0 113.459 164.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . 0.523 ' H ' ' C ' ' B' ' 56' ' ' VAL . 38.8 t-80 -120.41 -31.84 4.24 Favored 'General case' 0 C--N 1.411 3.248 0 CA-C-O 122.547 1.165 . . . . 0.0 111.471 173.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -94.33 -40.49 9.93 Favored 'General case' 0 CA--C 1.481 -1.691 0 CA-C-O 116.064 -1.922 . . . . 0.0 109.668 -164.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.403 ' HG ' ' CD2' ' B' ' 80' ' ' TYR . 10.3 tp -56.35 -31.34 63.67 Favored 'General case' 0 C--N 1.397 2.672 0 CA-C-O 113.053 -3.356 . . . . 0.0 110.994 161.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . 0.293 88.9 mttt -74.21 -45.22 49.61 Favored 'General case' 0 N--CA 1.417 -2.104 0 CA-C-N 123.45 2.841 . . . . 0.0 113.888 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.445 HD11 ' N ' ' B' ' 63' ' ' LEU . 0.6 OUTLIER -53.0 -50.7 63.65 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 115.653 -2.118 . . . . 0.0 113.257 165.742 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.445 ' N ' HD11 ' B' ' 62' ' ' LEU . 70.3 mt -59.64 -28.91 67.64 Favored 'General case' 0 N--CA 1.504 2.267 0 CA-C-N 122.96 2.618 . . . . 0.0 112.607 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -73.3 -48.61 33.11 Favored 'General case' 0 CA--C 1.56 1.347 0 CA-C-N 111.659 -2.519 . . . . 0.0 104.966 -176.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.4 m -63.8 -32.22 73.66 Favored 'General case' 0 N--CA 1.403 -2.793 0 C-N-CA 127.091 2.156 . . . . 0.0 113.446 177.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 29.7 m -96.24 8.24 6.87 Favored 'Isoleucine or valine' 1 N--CA 1.553 4.714 0 O-C-N 116.303 -3.998 . . . . 0.0 111.329 172.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 1.5 m170 65.48 16.26 10.43 Favored 'General case' 0 N--CA 1.515 2.809 0 C-N-CA 128.935 2.894 . . . . 0.0 114.742 165.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 mp -71.67 -20.34 61.96 Favored 'General case' 0 C--O 1.267 2.013 0 O-C-N 120.225 -1.547 . . . . 0.0 111.282 156.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 t -120.51 164.14 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.53 3.541 0 C-N-CA 126.016 1.726 . . . . 0.0 115.482 173.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -147.44 155.87 42.33 Favored 'General case' 0 C--O 1.265 1.891 0 C-N-CA 124.676 1.19 . . . . 0.0 111.657 156.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . 0.577 ' HB1' ' CE2' ' B' ' 80' ' ' TYR . . . -88.94 151.04 22.55 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.622 -1.172 . . . . 0.0 112.828 165.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 43.1 pttt . . . . . 0 CA--C 1.601 2.909 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 160.766 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 22.9 mtm . . . . . 0 N--CA 1.465 0.312 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.423 ' HA ' ' HB2' ' B' ' 41' ' ' SER . 35.1 mm -92.64 141.96 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 C-N-CA 124.615 1.166 . . . . 0.0 112.502 170.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . 0.577 ' CE2' ' HB1' ' B' ' 71' ' ' ALA . 59.6 m-85 -116.27 149.31 39.42 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -178.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 9.1 m -148.07 161.64 41.0 Favored 'General case' 0 N--CA 1.436 -1.15 0 O-C-N 126.192 2.183 . . . . 0.0 109.797 -165.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 7.6 mp -62.31 154.64 27.25 Favored 'General case' 0 C--N 1.361 1.099 0 O-C-N 120.292 -1.505 . . . . 0.0 113.212 159.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -70.25 -46.35 64.6 Favored 'General case' 0 N--CA 1.515 2.785 0 O-C-N 119.208 -2.182 . . . . 0.0 113.752 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 13.9 p30 -151.23 175.41 12.21 Favored 'General case' 0 CA--C 1.583 2.214 0 CA-C-O 124.763 2.22 . . . . 0.0 112.912 159.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . 0.331 1.6 pp -49.99 -13.46 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.205 1 N-CA-C 122.104 4.113 . . . . 0.0 122.104 169.973 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -66.68 -52.77 41.03 Favored 'General case' 0 N--CA 1.427 -1.583 1 O-C-N 114.336 -5.228 . . . . 0.0 109.977 -177.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 3.5 m -85.84 -15.59 10.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 O-C-N 120.551 -1.343 . . . . 0.0 111.716 -176.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.55 -31.55 72.34 Favored 'General case' 0 C--O 1.194 -1.821 0 CA-C-O 123.343 1.544 . . . . 0.0 109.774 166.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 24.9 m -84.25 -41.45 16.9 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 114.485 -1.234 . . . . 0.0 108.728 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 16.9 tmm? -57.43 -46.65 83.32 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 168.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.459 HD11 ' H ' ' B' ' 33' ' ' GLU . 7.1 tt -67.13 -40.32 86.78 Favored 'General case' 0 N--CA 1.514 2.762 0 CA-C-O 117.107 -1.425 . . . . 0.0 109.17 176.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -67.36 -36.08 80.67 Favored 'General case' 0 CA--C 1.578 2.035 0 CA-C-N 122.304 2.32 . . . . 0.0 114.084 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -81.94 -14.61 55.84 Favored 'General case' 0 C--O 1.277 2.534 0 C-N-CA 125.38 1.472 . . . . 0.0 113.407 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.02 -52.93 14.61 Favored 'General case' 0 C--O 1.206 -1.217 0 CA-C-O 117.746 -1.121 . . . . 0.0 108.587 164.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -54.26 -34.39 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 CA-C-O 116.548 -1.691 . . . . 0.0 108.328 171.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . 0.291 0.8 OUTLIER -68.62 -35.76 77.73 Favored 'General case' 0 N--CA 1.431 -1.377 0 C-N-CA 126.079 1.752 . . . . 0.0 113.808 -179.303 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -73.12 -9.54 58.83 Favored 'General case' 0 C--O 1.27 2.142 0 CA-C-O 115.306 -2.283 . . . . 0.0 115.343 163.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -100.65 6.13 43.99 Favored 'General case' 0 N--CA 1.427 -1.614 0 CA-C-N 121.914 2.143 . . . . 0.0 116.099 158.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . 0.266 58.6 t30 -134.09 71.97 1.46 Allowed 'General case' 0 CA--C 1.498 -1.022 0 CA-C-N 119.98 1.264 . . . . 0.0 109.068 -172.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 46.5 m170 . . . . . 0 C--N 1.309 -1.166 0 C-N-CA 127.449 2.299 . . . . 0.0 114.771 -178.003 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.501 2.094 0 CA-C-O 116.054 -1.927 . . . . 0.0 112.817 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.336 0.8 OUTLIER 63.29 -48.05 0.23 Allowed 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 128.55 2.74 . . . . 0.0 118.077 178.767 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.6 p -144.19 -27.92 0.51 Allowed 'General case' 0 C--N 1.288 -2.1 0 C-N-CA 129.392 3.077 . . . . 0.0 110.82 175.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -41.12 -28.47 0.09 Allowed 'General case' 0 N--CA 1.409 -2.514 2 O-C-N 113.881 -5.512 . . . . 0.0 115.128 -175.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.24 -14.4 59.77 Favored 'General case' 0 C--N 1.271 -2.844 1 CA-C-N 126.628 4.286 . . . . 0.0 113.192 -174.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -104.57 -5.26 21.65 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 112.386 -2.188 . . . . 0.0 112.76 166.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.8 t -83.53 -38.31 14.16 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.376 0 O-C-N 119.343 -2.098 . . . . 0.0 113.062 165.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.1 p -67.4 -22.73 65.53 Favored 'General case' 0 N--CA 1.525 3.283 0 O-C-N 117.891 -3.006 . . . . 0.0 108.376 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.474 ' HG2' ' HE2' ' A' ' 67' ' ' HIS . 32.0 tt0 -66.82 -14.89 63.18 Favored 'General case' 0 C--O 1.254 1.318 0 C-N-CA 128.829 2.852 . . . . 0.0 111.47 172.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.33 0.6 OUTLIER -110.24 19.1 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.621 0 CA-C-N 124.917 3.508 . . . . 0.0 109.002 175.782 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -119.85 -34.96 3.61 Favored 'General case' 0 C--N 1.365 1.241 0 C-N-CA 127.838 2.455 . . . . 0.0 112.349 170.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -42.48 46.14 0.0 OUTLIER 'General case' 0 CA--C 1.588 2.427 0 C-N-CA 129.239 3.016 . . . . 0.0 112.394 141.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . 0.263 . . -177.11 -34.75 0.01 OUTLIER 'General case' 1 N--CA 1.54 4.029 0 C-N-CA 128.984 2.914 . . . . 0.0 111.988 -173.843 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.413 HD13 ' CD2' ' B' ' 20' ' ' PHE . 30.1 mt -81.2 -117.47 0.02 OUTLIER 'General case' 0 N--CA 1.422 -1.839 0 C-N-CA 126.803 2.041 . . . . 0.0 114.316 -176.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 42.81 -0.31 0.01 OUTLIER Glycine 0 N--CA 1.513 3.771 1 CA-C-O 112.273 -4.626 . . . . 0.0 122.435 -175.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -134.26 170.65 15.39 Favored 'General case' 0 CA--C 1.58 2.111 1 CA-C-N 125.26 4.53 . . . . 0.0 109.674 -169.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -95.26 -83.87 0.35 Allowed 'General case' 0 C--O 1.198 -1.607 0 O-C-N 119.483 -2.01 . . . . 0.0 109.186 -166.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -59.64 -43.25 93.95 Favored 'General case' 0 C--O 1.287 3.036 0 O-C-N 118.708 -2.495 . . . . 0.0 110.443 -166.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -30.34 -47.29 0.08 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 126.564 2.415 . . . . 0.0 113.682 162.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.3 pt -106.57 -6.01 10.2 Favored 'Isoleucine or valine' 0 C--O 1.276 2.478 1 O-C-N 115.655 -4.403 . . . . 0.0 109.874 -178.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.7 ttp85 -60.47 -22.9 64.02 Favored 'General case' 0 C--N 1.371 1.513 0 N-CA-C 115.467 1.655 . . . . 0.0 115.467 156.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.8 mt -64.72 -51.62 64.92 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.713 1 C-N-CA 132.463 4.305 . . . . 0.0 107.044 164.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 79.0 mtp -85.62 -41.28 15.36 Favored 'General case' 0 CA--C 1.575 1.911 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.127 -156.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.43 ' H ' HD12 ' A' ' 91' ' ' LEU . 3.9 tm-20 -24.56 -58.85 0.05 Allowed 'General case' 0 C--N 1.394 2.539 0 C-N-CA 128.96 2.904 . . . . 0.0 110.463 144.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -40.85 70.53 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 117.87 -3.018 . . . . 0.0 110.052 -173.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.252 79.9 mt -73.26 -21.91 60.51 Favored 'General case' 0 C--O 1.188 -2.134 0 O-C-N 120.041 -1.662 . . . . 0.0 113.817 -179.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.385 7.5 m -64.64 -4.01 3.75 Favored 'General case' 0 C--N 1.284 -2.244 1 C-N-CA 133.597 4.759 . . . . 0.0 114.211 167.212 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.0 m -128.01 -42.97 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.376 1.745 0 C-N-CA 127.426 2.29 . . . . 0.0 115.509 157.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.1 m -145.5 89.49 1.93 Allowed 'General case' 0 C--N 1.274 -2.691 0 N-CA-C 117.278 2.325 . . . . 0.0 117.278 -166.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -72.49 132.51 43.94 Favored 'General case' 0 N--CA 1.521 3.094 0 N-CA-C 116.814 2.153 . . . . 0.0 116.814 -169.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.8 -174.16 3.7 Favored 'General case' 0 N--CA 1.51 2.555 0 O-C-N 118.926 -2.359 . . . . 0.0 113.601 -169.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 t -109.57 149.7 29.26 Favored 'General case' 0 C--O 1.214 -0.809 1 C-N-CA 132.183 4.193 . . . . 0.0 112.674 166.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.6 t -11.58 -53.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 C-N-CA 130.625 3.57 . . . . 0.0 113.47 168.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.38 -28.73 18.92 Favored Glycine 0 N--CA 1.497 2.737 0 CA-C-N 120.286 1.403 . . . . 0.0 113.671 -164.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -81.25 -34.95 31.79 Favored 'General case' 0 C--O 1.2 -1.552 0 O-C-N 117.4 -3.412 . . . . 0.0 105.972 170.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.9 mt -52.41 -60.58 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.529 3.476 0 O-C-N 125.14 1.525 . . . . 0.0 108.659 167.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.9 m -62.49 -13.13 27.07 Favored 'General case' 0 C--O 1.279 2.626 0 N-CA-C 116.658 2.095 . . . . 0.0 116.658 -173.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -92.33 -54.89 3.62 Favored 'General case' 0 N--CA 1.426 -1.672 0 C-N-CA 128.946 2.898 . . . . 0.0 112.08 174.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -74.96 -16.75 60.63 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 115.746 -2.074 . . . . 0.0 112.905 -176.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.3 mp -104.92 -7.35 19.38 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 114.8 -2.524 . . . . 0.0 116.621 169.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.285 32.6 m120 63.21 50.3 3.05 Favored 'General case' 0 C--N 1.294 -1.846 0 C-N-CA 130.694 3.598 . . . . 0.0 111.907 175.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 48.4 mt -104.38 -122.06 0.21 Allowed 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 103.691 -2.707 . . . . 0.0 103.691 -173.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.2 p -167.61 151.41 6.37 Favored 'General case' 0 C--O 1.263 1.793 0 CA-C-N 122.099 2.227 . . . . 0.0 106.578 -177.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -60.13 -42.85 95.69 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 115.02 -2.419 . . . . 0.0 112.332 -168.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.7 m -69.42 -35.12 75.42 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-N 122.989 2.631 . . . . 0.0 111.775 -171.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -71.43 -43.9 65.87 Favored 'General case' 0 CA--C 1.557 1.215 0 CA-C-O 124.888 2.28 . . . . 0.0 112.707 -166.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.503 ' C ' ' H ' ' A' ' 58' ' ' HIS 0.251 60.7 t -72.09 -39.84 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.417 0 O-C-N 117.851 -3.03 . . . . 0.0 109.94 174.25 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.3 m -57.7 1.64 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.23 -2.169 . . . . 0.0 113.974 168.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.503 ' H ' ' C ' ' A' ' 56' ' ' VAL . 1.8 t-80 -121.64 -35.47 3.22 Favored 'General case' 0 N--CA 1.508 2.442 0 O-C-N 119.145 -2.222 . . . . 0.0 112.562 169.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -82.74 -40.69 20.2 Favored 'General case' 0 C--N 1.395 2.576 0 O-C-N 120.278 -1.514 . . . . 0.0 109.779 -176.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.4 tp -55.32 -46.86 76.28 Favored 'General case' 0 C--O 1.194 -1.832 0 CA-C-O 116.282 -1.818 . . . . 0.0 111.911 169.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -64.07 -43.11 96.44 Favored 'General case' 0 C--N 1.369 1.428 1 C-N-CA 131.778 4.031 . . . . 0.0 109.871 -178.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.14 -62.91 1.35 Allowed 'General case' 0 C--O 1.205 -1.244 0 CA-C-O 117.609 -1.186 . . . . 0.0 108.966 165.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.6 mt -52.17 -42.79 63.74 Favored 'General case' 0 N--CA 1.502 2.156 0 CA-C-N 123.204 2.729 . . . . 0.0 112.733 -173.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -53.64 -58.5 6.96 Favored 'General case' 0 N--CA 1.501 2.123 1 CA-C-N 106.735 -4.757 . . . . 0.0 105.444 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.3 m -69.64 -7.53 39.74 Favored 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 127.525 2.33 . . . . 0.0 112.665 -174.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.343 16.4 m -108.39 8.55 9.27 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.214 0 CA-C-O 113.772 -3.013 . . . . 0.0 115.96 178.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.474 ' HE2' ' HG2' ' A' ' 18' ' ' GLU 0.374 8.9 p80 65.46 18.68 11.38 Favored 'General case' 0 CA--C 1.565 1.534 0 O-C-N 127.686 3.116 . . . . 0.0 118.003 176.065 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 mp -99.44 -16.69 18.27 Favored 'General case' 0 CA--C 1.605 3.067 0 CA-C-N 120.279 1.4 . . . . 0.0 110.367 168.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 t -119.97 160.23 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 128.925 2.89 . . . . 0.0 108.438 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -160.46 127.89 4.42 Favored 'General case' 0 CA--C 1.56 1.343 0 CA-C-O 122.395 1.093 . . . . 0.0 111.837 173.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.46 146.54 48.55 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 126.141 2.877 . . . . 0.0 109.578 170.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -130.95 151.94 50.81 Favored 'General case' 0 C--N 1.382 1.995 0 CA-C-N 111.073 -2.785 . . . . 0.0 106.439 158.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 . . . . . 0 C--O 1.194 -1.849 0 CA-C-O 115.396 -2.24 . . . . 0.0 110.098 170.597 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 19.7 mmt . . . . . 0 N--CA 1.402 -2.859 0 CA-C-O 122.475 1.131 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.7 mm -102.83 126.26 57.08 Favored 'Isoleucine or valine' 0 C--O 1.26 1.611 0 C-N-CA 129.789 3.235 . . . . 0.0 108.852 175.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -108.04 132.41 53.57 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 126.329 1.852 . . . . 0.0 109.251 -173.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.1 m -144.06 173.96 11.28 Favored 'General case' 0 C--N 1.286 -2.157 0 CA-C-N 112.195 -2.275 . . . . 0.0 107.101 -175.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.04 150.46 45.32 Favored 'General case' 0 C--N 1.38 1.904 1 CA-C-O 128.634 4.064 . . . . 0.0 113.442 165.915 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -54.6 -40.35 68.76 Favored 'General case' 0 N--CA 1.412 -2.372 0 O-C-N 118.308 -2.745 . . . . 0.0 117.422 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.6 p30 -165.95 -179.93 5.5 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 129.074 2.95 . . . . 0.0 112.051 172.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.6 tp -65.46 -17.75 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.396 -3.157 0 CA-C-N 111.921 -2.399 . . . . 0.0 113.545 -170.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -71.38 -47.03 58.77 Favored 'General case' 0 CA--C 1.454 -2.741 0 O-C-N 120.987 -1.071 . . . . 0.0 111.607 173.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . 0.347 1.6 p -77.14 -34.12 21.11 Favored 'Isoleucine or valine' 0 C--O 1.26 1.611 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -177.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . 0.279 . . -59.31 -38.57 80.61 Favored 'General case' 0 C--O 1.19 -2.065 0 C-N-CA 123.876 0.87 . . . . 0.0 112.389 162.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 68.0 m -70.46 -34.75 72.77 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 175.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.2 ttt -61.15 -51.78 67.63 Favored 'General case' 0 C--O 1.263 1.777 0 C-N-CA 125.534 1.534 . . . . 0.0 111.614 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.43 HD12 ' H ' ' A' ' 33' ' ' GLU . 4.5 tt -75.63 -42.06 52.59 Favored 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 114.268 -1.333 . . . . 0.0 111.774 -178.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . 0.302 17.2 tttp -57.79 -41.53 82.3 Favored 'General case' 0 N--CA 1.508 2.442 0 C-N-CA 124.241 1.017 . . . . 0.0 110.187 175.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -77.24 -16.68 58.93 Favored 'General case' 0 N--CA 1.504 2.264 0 CA-C-N 121.272 1.851 . . . . 0.0 114.333 175.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -78.58 -41.92 30.55 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 118.913 -1.115 . . . . 0.0 109.679 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.05 -9.56 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.516 2.843 0 O-C-N 126.953 2.658 . . . . 0.0 110.958 170.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -113.13 7.33 17.91 Favored 'General case' 0 N--CA 1.422 -1.832 0 C-N-CA 129.984 3.314 . . . . 0.0 118.131 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -115.23 -8.63 12.33 Favored 'General case' 0 C--O 1.188 -2.137 0 CA-C-O 116.212 -1.852 . . . . 0.0 113.898 158.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . 0.439 . . -55.84 -37.64 68.99 Favored 'General case' 0 C--O 1.262 1.738 0 O-C-N 127.601 3.063 . . . . 0.0 118.02 169.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.444 HD22 HG23 ' B' ' 12' ' ' THR . 5.9 p30 -135.23 166.15 23.76 Favored 'General case' 0 C--N 1.292 -1.92 0 C-N-CA 129.687 3.195 . . . . 0.0 109.803 170.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -147.69 62.28 6.82 Favored Pre-proline 0 CA--C 1.574 1.884 0 O-C-N 125.853 1.971 . . . . 0.0 108.86 174.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo . . . . . 0 CA--C 1.563 1.972 1 C-N-CA 125.51 4.14 . . . . 0.0 112.377 -165.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 56.7 p . . . . . 0 C--O 1.265 1.898 0 CA-C-O 117.442 -1.266 . . . . 0.0 114.214 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 51.24 -5.71 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.121 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 -162.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.444 HG23 HD22 ' A' ' 99' ' ' ASN . 28.5 p -134.53 -78.13 0.46 Allowed 'General case' 0 CA--C 1.591 2.551 1 O-C-N 115.18 -4.7 . . . . 0.0 109.758 -160.03 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.68 -44.88 18.98 Favored 'General case' 0 CA--C 1.469 -2.168 1 CA-C-O 111.17 -4.252 . . . . 0.0 113.294 169.861 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -82.2 4.03 25.02 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 123.566 2.894 . . . . 0.0 109.323 -171.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -123.59 -8.41 7.97 Favored 'General case' 0 C--O 1.267 1.995 0 C-N-CA 130.179 3.391 . . . . 0.0 114.168 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . 0.443 6.2 m -100.65 -16.23 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.341 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 164.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . 0.319 0.9 OUTLIER -56.38 -43.63 79.41 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 118.249 -1.381 . . . . 0.0 107.7 168.529 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -45.54 -39.0 6.94 Favored 'General case' 0 N--CA 1.534 3.759 0 CA-C-N 112.982 -1.917 . . . . 0.0 112.649 168.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 22.1 mt -88.83 -55.93 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.147 0 CA-C-O 124.943 2.306 . . . . 0.0 115.177 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.413 ' CD2' HD13 ' A' ' 23' ' ' LEU . 2.4 m-30 -66.04 -6.46 13.02 Favored 'General case' 0 C--O 1.202 -1.427 0 C-N-CA 127.59 2.356 . . . . 0.0 115.434 -169.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -99.37 -23.18 15.24 Favored 'General case' 0 N--CA 1.517 2.92 0 N-CA-C 116.527 2.047 . . . . 0.0 116.527 160.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.75 -11.51 47.91 Favored 'General case' 0 C--O 1.249 1.042 0 CA-C-N 120.007 1.276 . . . . 0.0 112.102 -171.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 62.3 mt -63.76 -20.99 66.19 Favored 'General case' 0 CA--C 1.594 2.646 0 C-N-CA 128.904 2.882 . . . . 0.0 113.937 168.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.9 37.36 0.09 OUTLIER Glycine 0 C--O 1.169 -3.922 0 N-CA-C 121.384 3.313 . . . . 0.0 121.384 -172.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -149.47 122.07 8.58 Favored 'General case' 0 C--O 1.251 1.158 0 CA-C-O 117.663 -1.16 . . . . 0.0 107.985 171.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . 0.274 1.1 p90 -52.37 -38.8 59.72 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 124.563 1.164 . . . . 0.0 113.079 -170.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -55.32 -47.9 74.94 Favored 'General case' 0 C--O 1.275 2.418 0 CA-C-N 112.251 -2.249 . . . . 0.0 114.442 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -53.11 -41.43 64.99 Favored 'General case' 0 C--O 1.186 -2.267 0 C-N-CA 129.742 3.217 . . . . 0.0 111.045 175.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 43.0 mm -83.57 -41.54 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.561 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 -168.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -56.42 -30.71 63.13 Favored 'General case' 0 C--N 1.357 0.92 0 N-CA-C 116.118 1.896 . . . . 0.0 116.118 165.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 32.7 mt -71.08 -48.4 55.6 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.798 0 O-C-N 124.398 1.061 . . . . 0.0 109.287 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 60.2 mtm -90.95 -36.93 13.82 Favored 'General case' 0 CA--C 1.559 1.295 0 O-C-N 119.314 -2.116 . . . . 0.0 116.173 -174.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -35.16 -41.67 0.16 Allowed 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 112.576 -3.583 . . . . 0.0 110.919 141.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . 0.384 0.4 OUTLIER -75.03 -52.35 11.29 Favored 'General case' 0 CA--C 1.629 3.987 0 CA-C-O 127.943 3.735 . . . . 0.0 117.641 177.074 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 58.5 mt -65.31 -27.59 68.72 Favored 'General case' 0 CA--C 1.556 1.184 0 O-C-N 118.675 -2.515 . . . . 0.0 109.801 -169.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 57.2 p -62.75 -0.73 0.69 Allowed 'General case' 0 N--CA 1.51 2.559 0 CA-C-N 111.529 -2.578 . . . . 0.0 117.728 170.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 m -134.97 -33.33 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 CA-C-N 112.836 -1.983 . . . . 0.0 111.46 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 10.6 t -157.18 120.49 4.1 Favored 'General case' 0 CA--C 1.575 1.909 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 167.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . 0.267 56.4 mt-10 -68.03 146.16 53.78 Favored 'General case' 0 N--CA 1.505 2.321 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -169.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -156.76 135.47 11.63 Favored 'General case' 0 CA--C 1.573 1.859 0 O-C-N 124.766 1.291 . . . . 0.0 111.56 -175.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 35.1 t -94.51 156.3 16.52 Favored 'General case' 0 CA--C 1.567 1.623 0 C-N-CA 128.013 2.525 . . . . 0.0 110.964 175.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . 0.326 37.1 t -9.82 -72.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.397 2.667 0 N-CA-C 118.446 2.758 . . . . 0.0 118.446 178.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.98 -30.99 76.78 Favored Glycine 0 N--CA 1.478 1.475 0 O-C-N 125.984 2.052 . . . . 0.0 114.596 -170.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -81.22 -43.17 19.65 Favored 'General case' 0 CA--C 1.569 1.687 0 C-N-CA 125.977 1.711 . . . . 0.0 110.794 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 96.2 mt -50.53 -51.38 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.026 0 CA-C-O 114.327 -2.749 . . . . 0.0 111.075 161.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 16.1 m -51.78 -38.33 55.09 Favored 'General case' 0 CA--C 1.581 2.148 0 C-N-CA 127.959 2.504 . . . . 0.0 109.56 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -70.82 -49.95 40.81 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 114.73 -2.557 . . . . 0.0 111.53 174.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -80.39 -20.48 43.9 Favored 'General case' 0 C--O 1.167 -3.247 0 O-C-N 128.085 3.365 . . . . 0.0 117.909 -169.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 4.1 mt -111.27 -0.12 16.53 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 112.898 -1.955 . . . . 0.0 113.952 -178.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 15.6 m120 54.14 43.06 31.22 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 130.38 3.472 . . . . 0.0 113.079 -175.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 mt -106.4 158.47 16.87 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 118.029 -2.919 . . . . 0.0 108.461 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 1.9 p -79.27 148.8 32.03 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 120.244 3.424 . . . . 0.0 120.244 171.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -55.75 -31.86 62.92 Favored 'General case' 0 C--N 1.375 1.677 0 CA-C-O 124.126 1.917 . . . . 0.0 110.356 -177.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 53.3 m -74.07 -46.44 43.07 Favored 'General case' 0 C--O 1.269 2.114 0 O-C-N 117.596 -3.19 . . . . 0.0 110.682 -174.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -69.48 -36.69 76.79 Favored 'General case' 0 N--CA 1.521 3.078 0 O-C-N 126.826 2.579 . . . . 0.0 111.771 175.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.445 ' C ' ' H ' ' B' ' 58' ' ' HIS . 65.9 t -75.27 -46.41 38.64 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.96 0 O-C-N 117.434 -3.291 . . . . 0.0 109.791 177.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.6 m -43.55 -15.41 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 118.429 2.751 . . . . 0.0 118.429 163.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . 0.445 ' H ' ' C ' ' B' ' 56' ' ' VAL . 45.2 t-80 -100.6 -44.39 5.86 Favored 'General case' 0 CA--C 1.508 -0.659 0 C-N-CA 129.329 3.052 . . . . 0.0 113.313 167.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -86.43 -35.91 19.41 Favored 'General case' 0 N--CA 1.409 -2.496 0 CA-C-N 121.655 2.025 . . . . 0.0 115.736 -164.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.5 tp -56.64 -45.04 81.82 Favored 'General case' 0 CA--C 1.595 2.695 0 C-N-CA 126.482 1.913 . . . . 0.0 107.907 167.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . 0.275 32.4 mttt -70.05 -40.93 74.8 Favored 'General case' 0 N--CA 1.512 2.633 0 C-N-CA 128.395 2.678 . . . . 0.0 109.963 -175.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -50.51 -55.11 17.51 Favored 'General case' 0 C--O 1.284 2.896 0 CA-C-O 123.477 1.608 . . . . 0.0 112.856 163.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.83 -34.85 77.53 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 117.359 -3.338 . . . . 0.0 114.256 -165.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -47.51 -51.54 20.28 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 126.194 2.902 . . . . 0.0 108.476 170.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 13.0 m -75.61 -2.09 27.62 Favored 'General case' 0 C--O 1.254 1.32 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 -178.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . 0.376 27.4 m -112.21 15.92 8.17 Favored 'Isoleucine or valine' 0 C--O 1.272 2.255 0 O-C-N 120.267 -1.521 . . . . 0.0 114.136 162.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 7.2 m80 46.96 22.17 0.19 Allowed 'General case' 0 CA--C 1.571 1.774 0 C-N-CA 127.204 2.202 . . . . 0.0 114.913 -178.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 mp -69.69 -22.22 63.44 Favored 'General case' 0 N--CA 1.508 2.445 0 O-C-N 116.419 -3.925 . . . . 0.0 106.794 161.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.0 t -133.25 153.75 37.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 C-N-CA 130.999 3.72 . . . . 0.0 114.377 -167.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -149.54 146.13 27.2 Favored 'General case' 0 N--CA 1.422 -1.849 1 CA-C-O 128.857 4.17 . . . . 0.0 107.783 170.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . 0.446 ' HB2' ' CE2' ' B' ' 80' ' ' TYR . . . -91.78 144.21 25.74 Favored 'General case' 0 C--O 1.269 2.116 0 CA-C-N 108.771 -3.831 . . . . 0.0 112.952 164.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 45.6 pttt . . . . . 0 N--CA 1.51 2.54 0 C-N-CA 129.541 3.136 . . . . 0.0 108.113 170.39 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 45.0 mtm . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 116.667 -1.635 . . . . 0.0 109.921 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 27.2 mm -85.98 140.34 16.04 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.87 0 O-C-N 127.575 3.047 . . . . 0.0 106.052 166.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . 0.446 ' CE2' ' HB2' ' B' ' 71' ' ' ALA . 37.6 m-85 -119.6 143.02 47.88 Favored 'General case' 0 N--CA 1.416 -2.132 0 CA-C-O 122.201 1.0 . . . . 0.0 112.959 -173.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 74.5 m -132.14 166.12 22.52 Favored 'General case' 0 C--O 1.284 2.902 1 C-N-CA 133.004 4.521 . . . . 0.0 109.108 -170.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.08 149.24 37.73 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 119.643 3.201 . . . . 0.0 119.643 143.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -72.18 -55.84 6.57 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-N 121.604 2.002 . . . . 0.0 110.565 -168.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -140.95 -170.48 3.05 Favored 'General case' 0 CA--C 1.493 -1.22 0 CA-C-O 123.631 1.681 . . . . 0.0 112.87 156.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -17.48 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.349 0 N-CA-C 117.35 2.352 . . . . 0.0 117.35 -176.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -64.84 -55.22 20.82 Favored 'General case' 0 N--CA 1.517 2.916 0 C-N-CA 129.089 2.955 . . . . 0.0 108.129 -177.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 m -88.12 -19.82 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -167.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.27 -24.8 66.63 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 118.108 2.632 . . . . 0.0 118.108 159.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 44.7 m -82.95 -52.23 6.87 Favored 'General case' 0 N--CA 1.502 2.165 0 N-CA-C 100.625 -3.843 . . . . 0.0 100.625 177.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 12.9 tmm? -52.81 -55.23 24.47 Favored 'General case' 0 C--O 1.17 -3.094 0 CA-C-N 119.882 1.219 . . . . 0.0 113.365 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 6.3 tt -57.95 -44.24 86.85 Favored 'General case' 0 C--O 1.192 -1.942 0 CA-C-O 114.535 -2.65 . . . . 0.0 115.83 175.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -67.99 -33.91 75.52 Favored 'General case' 0 C--N 1.373 1.595 0 CA-C-N 122.164 2.256 . . . . 0.0 108.69 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -71.67 -15.6 62.23 Favored 'General case' 1 N--CA 1.547 4.42 0 C-N-CA 129.038 2.935 . . . . 0.0 110.282 174.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.06 -33.89 19.36 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-O 122.46 1.124 . . . . 0.0 114.028 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 3.6 mm -59.26 -48.63 86.3 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 C-N-CA 126.108 1.763 . . . . 0.0 114.256 157.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -75.53 -25.61 57.35 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 119.519 -1.988 . . . . 0.0 114.729 -172.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -67.03 -7.76 25.14 Favored 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 162.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -102.55 -27.63 12.65 Favored 'General case' 0 CA--C 1.588 2.429 0 O-C-N 116.908 -3.62 . . . . 0.0 111.861 173.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -111.91 86.97 2.45 Favored 'General case' 0 N--CA 1.506 2.328 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 166.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 34.4 m170 . . . . . 0 CA--C 1.549 0.917 0 O-C-N 124.573 1.17 . . . . 0.0 113.75 162.224 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.513 2.697 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.25 9.2 m-20 61.25 -55.27 0.1 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.197 2.199 . . . . 0.0 110.677 176.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.8 p -132.79 -22.99 2.06 Favored 'General case' 0 C--N 1.288 -2.09 0 C-N-CA 128.468 2.707 . . . . 0.0 112.785 -171.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.07 -28.26 63.21 Favored 'General case' 0 N--CA 1.51 2.569 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -164.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -67.51 -21.01 65.51 Favored 'General case' 0 C--N 1.374 1.662 0 O-C-N 116.615 -3.803 . . . . 0.0 112.617 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.276 15.2 ttm180 -100.63 -1.83 34.3 Favored 'General case' 0 N--CA 1.512 2.646 0 N-CA-C 120.331 3.456 . . . . 0.0 120.331 166.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 t -82.88 -42.03 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.324 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 156.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.1 p -63.35 -25.2 68.18 Favored 'General case' 0 C--N 1.381 1.976 1 O-C-N 115.663 -4.398 . . . . 0.0 118.3 171.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -56.38 -29.67 61.73 Favored 'General case' 0 CA--C 1.582 2.189 0 C-N-CA 127.486 2.314 . . . . 0.0 112.608 165.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.9 pp -104.38 5.64 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.535 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.386 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -92.54 -33.99 14.24 Favored 'General case' 0 C--N 1.363 1.193 0 N-CA-C 119.967 3.321 . . . . 0.0 119.967 151.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -64.28 52.25 0.02 OUTLIER 'General case' 0 C--O 1.286 2.983 0 C-N-CA 128.259 2.624 . . . . 0.0 111.399 153.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -167.87 -30.7 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 CA-C-N 110.084 -3.234 . . . . 0.0 108.715 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.3 mt -82.23 -129.14 0.02 OUTLIER 'General case' 0 CA--C 1.59 2.484 0 C-N-CA 126.271 1.828 . . . . 0.0 111.229 176.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 57.99 13.69 14.81 Favored Glycine 0 CA--C 1.561 2.949 0 C-N-CA 128.301 2.858 . . . . 0.0 120.165 177.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -142.55 165.81 26.38 Favored 'General case' 0 C--O 1.268 2.056 0 O-C-N 119.722 -2.046 . . . . 0.0 111.066 175.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -80.21 -83.25 0.1 Allowed 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 118.355 2.724 . . . . 0.0 118.355 -176.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -55.68 -45.41 77.77 Favored 'General case' 0 C--O 1.263 1.791 0 O-C-N 118.727 -2.483 . . . . 0.0 106.285 -172.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -39.66 -23.78 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.761 0 C-N-CA 128.366 2.666 . . . . 0.0 113.718 170.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.42 0.7 OUTLIER -114.0 -11.71 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.24 0 CA-C-O 113.265 -3.255 . . . . 0.0 119.174 170.456 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.2 ttp85 -67.7 -23.14 65.25 Favored 'General case' 0 CA--C 1.481 -1.675 0 C-N-CA 127.998 2.519 . . . . 0.0 111.153 157.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.414 ' HA ' HD23 ' A' ' 49' ' ' LEU . 17.0 mt -62.14 -57.15 13.38 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.831 0 CA-C-N 119.688 1.131 . . . . 0.0 111.344 164.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 61.2 mtp -81.18 -39.72 25.02 Favored 'General case' 0 C--O 1.185 -2.32 1 CA-C-O 111.236 -4.221 . . . . 0.0 109.638 -156.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.469 ' H ' HD12 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -10.54 -59.98 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.908 0 N-CA-C 120.75 3.611 . . . . 0.0 120.75 135.282 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.4 ' C ' HD12 ' A' ' 34' ' ' LEU 0.257 1.2 tm? -78.73 -55.25 5.32 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 117.824 -3.047 . . . . 0.0 109.245 -170.858 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.3 mt -45.44 -27.99 0.81 Allowed 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 127.582 2.353 . . . . 0.0 115.758 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.3 m -83.08 -10.9 58.46 Favored 'General case' 0 CA--C 1.587 2.367 0 C-N-CA 128.022 2.529 . . . . 0.0 111.223 -175.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.7 m -128.55 -29.82 0.87 Allowed 'Isoleucine or valine' 0 C--O 1.186 -2.253 0 C-N-CA 127.204 2.202 . . . . 0.0 113.073 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.9 m -154.66 101.87 2.35 Favored 'General case' 0 CA--C 1.594 2.659 0 O-C-N 119.511 -1.993 . . . . 0.0 114.561 159.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -32.6 124.69 0.33 Allowed 'General case' 0 N--CA 1.533 3.7 0 C-N-CA 129.819 3.247 . . . . 0.0 111.059 172.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -135.69 144.71 46.12 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 112.192 -2.276 . . . . 0.0 113.455 173.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.6 t -102.32 161.38 13.75 Favored 'General case' 0 N--CA 1.516 2.85 0 O-C-N 118.372 -2.705 . . . . 0.0 107.985 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.5 t -20.88 -66.85 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.521 3.075 0 CA-C-O 113.855 -2.974 . . . . 0.0 113.923 174.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.63 -42.33 95.53 Favored Glycine 0 C--O 1.272 2.488 1 O-C-N 129.679 4.362 . . . . 0.0 111.415 -169.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -74.76 -27.31 60.29 Favored 'General case' 0 C--N 1.386 2.188 0 CA-C-O 116.31 -1.805 . . . . 0.0 111.62 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.0 -56.42 17.57 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.389 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 174.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 m -43.04 -42.4 3.87 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.293 -1.504 . . . . 0.0 113.847 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -67.03 -68.55 0.37 Allowed 'General case' 0 C--O 1.268 2.043 0 O-C-N 124.674 1.234 . . . . 0.0 113.142 167.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -67.02 -22.7 65.88 Favored 'General case' 0 N--CA 1.516 2.862 0 O-C-N 118.901 -2.374 . . . . 0.0 109.635 -163.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 31' ' ' ILE . 5.2 mp -109.08 5.15 23.81 Favored 'General case' 0 N--CA 1.393 -3.314 0 CA-C-N 121.9 2.136 . . . . 0.0 111.564 178.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.264 5.6 m120 44.6 55.25 5.95 Favored 'General case' 0 CA--C 1.61 3.255 0 O-C-N 125.299 1.624 . . . . 0.0 112.627 -168.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.318 58.4 mt -99.08 -137.04 0.3 Allowed 'General case' 0 CA--C 1.576 1.972 0 O-C-N 126.259 2.225 . . . . 0.0 113.206 168.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.7 p -169.65 155.51 6.02 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 118.637 -2.54 . . . . 0.0 114.43 -175.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -62.86 -55.82 22.79 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 116.435 2.013 . . . . 0.0 116.435 -169.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.7 m -69.88 -26.59 64.26 Favored 'General case' 0 N--CA 1.524 3.236 0 CA-C-N 120.716 1.598 . . . . 0.0 114.217 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -63.8 -58.56 6.45 Favored 'General case' 0 N--CA 1.421 -1.897 0 C-N-CA 126.715 2.006 . . . . 0.0 107.979 169.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.564 ' C ' ' H ' ' A' ' 58' ' ' HIS . 59.1 t -71.66 -34.72 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.397 0 O-C-N 119.591 -1.943 . . . . 0.0 114.715 -169.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.79 8.31 0.06 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 164.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.564 ' H ' ' C ' ' A' ' 56' ' ' VAL . 55.7 t-80 -117.82 -34.52 4.17 Favored 'General case' 0 N--CA 1.426 -1.632 0 CA-C-O 112.346 -3.692 . . . . 0.0 116.119 165.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -99.67 -29.98 12.36 Favored 'General case' 0 CA--C 1.485 -1.553 0 O-C-N 126.221 2.201 . . . . 0.0 115.19 -173.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.428 HD22 ' CG ' ' A' ' 80' ' ' TYR . 13.8 tp -64.85 -31.41 72.63 Favored 'General case' 0 N--CA 1.503 2.218 0 CA-C-N 112.753 -2.021 . . . . 0.0 110.885 159.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -68.15 -47.15 68.83 Favored 'General case' 0 N--CA 1.498 1.97 0 C-N-CA 127.087 2.155 . . . . 0.0 112.648 170.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -50.82 -61.79 2.0 Allowed 'General case' 0 CA--C 1.555 1.154 0 O-C-N 119.266 -2.146 . . . . 0.0 113.243 169.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.7 mt -58.69 -36.37 74.11 Favored 'General case' 0 N--CA 1.506 2.368 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -173.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -57.91 -41.94 83.72 Favored 'General case' 0 CA--C 1.56 1.355 0 CA-C-O 124.485 2.088 . . . . 0.0 114.663 174.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.6 m -82.22 -14.04 56.15 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 126.124 1.77 . . . . 0.0 109.833 -176.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.266 27.8 m -114.77 27.69 3.1 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.23 0 CA-C-N 123.958 3.072 . . . . 0.0 115.96 176.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.261 16.4 p80 53.84 19.46 1.93 Allowed 'General case' 0 C--N 1.383 2.042 0 C-N-CA 129.687 3.195 . . . . 0.0 118.191 167.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.7 mp -77.01 -52.61 9.05 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 125.024 2.345 . . . . 0.0 108.269 165.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.3 t -97.94 163.86 2.46 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.556 0 CA-C-N 112.756 -2.02 . . . . 0.0 109.137 -172.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.475 ' HE2' ' HA ' ' A' ' 83' ' ' ASP . 28.3 ttpt -151.5 124.2 8.49 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 119.805 -1.809 . . . . 0.0 114.526 176.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.8 153.99 19.84 Favored 'General case' 0 N--CA 1.504 2.251 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 49.5 tttm -153.89 154.64 34.25 Favored 'General case' 0 C--N 1.383 2.028 0 C-N-CA 125.389 1.476 . . . . 0.0 111.907 162.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 . . . . . 0 N--CA 1.498 1.959 0 O-C-N 117.765 -3.084 . . . . 0.0 108.791 -178.258 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 74.2 mmm . . . . . 0 CA--C 1.514 -0.418 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 36.9 mm -96.71 133.16 39.17 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.229 0 O-C-N 125.539 1.774 . . . . 0.0 107.921 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.428 ' CG ' HD22 ' A' ' 60' ' ' LEU . 34.2 m-85 -121.19 135.42 55.15 Favored 'General case' 0 C--N 1.288 -2.077 0 C-N-CA 127.1 2.16 . . . . 0.0 105.878 -168.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.5 m -147.56 -174.06 4.44 Favored 'General case' 0 N--CA 1.504 2.235 0 C-N-CA 126.262 1.825 . . . . 0.0 107.462 -167.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -82.01 157.5 24.17 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 113.592 -3.099 . . . . 0.0 116.674 165.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.475 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 21.3 t70 -74.59 -28.27 60.84 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 124.243 3.201 . . . . 0.0 115.61 -174.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -173.28 176.89 2.79 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 127.127 2.171 . . . . 0.0 114.408 169.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.0 tp -50.14 -29.93 6.22 Favored 'Isoleucine or valine' 0 C--N 1.368 1.385 0 N-CA-C 117.509 2.411 . . . . 0.0 117.509 173.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -58.69 -58.54 8.13 Favored 'General case' 0 N--CA 1.407 -2.599 0 O-C-N 117.231 -3.418 . . . . 0.0 113.326 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.27 -36.66 50.04 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.206 0 C-N-CA 127.441 2.297 . . . . 0.0 109.539 -177.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.23 -35.42 69.67 Favored 'General case' 0 C--O 1.267 2.012 0 O-C-N 124.463 1.102 . . . . 0.0 111.375 169.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 38.7 m -91.79 -31.77 15.62 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 117.264 -3.397 . . . . 0.0 110.692 -174.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.5 ttt -44.83 -64.38 0.72 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 119.272 -2.142 . . . . 0.0 114.873 159.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.469 HD12 ' H ' ' A' ' 33' ' ' GLU . 7.3 tt -67.77 -44.02 78.42 Favored 'General case' 0 C--O 1.271 2.188 0 CA-C-N 121.81 2.095 . . . . 0.0 110.382 -176.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . 0.265 18.0 tttp -45.78 -57.81 3.99 Favored 'General case' 0 C--N 1.373 1.596 0 C-N-CA 126.252 1.821 . . . . 0.0 112.936 171.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -62.97 -31.88 73.09 Favored 'General case' 0 C--O 1.253 1.241 0 C-N-CA 129.462 3.105 . . . . 0.0 116.298 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.465 ' C ' ' H ' ' A' ' 96' ' ' HIS . . . -65.94 -48.43 71.41 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 168.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -49.37 -18.1 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.4 2.775 0 CA-C-O 124.77 2.224 . . . . 0.0 111.048 168.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.465 ' H ' ' C ' ' A' ' 94' ' ' ALA 0.397 29.9 m-70 -95.45 -15.54 22.89 Favored 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 117.176 2.287 . . . . 0.0 117.176 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -98.6 -19.85 17.34 Favored 'General case' 0 C--N 1.383 2.053 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 166.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -51.54 -38.65 55.24 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 119.61 3.189 . . . . 0.0 119.61 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -140.77 163.02 34.04 Favored 'General case' 0 CA--C 1.594 2.642 0 C-N-CA 128.416 2.686 . . . . 0.0 112.107 154.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -133.61 88.85 32.69 Favored Pre-proline 0 CA--C 1.586 2.335 0 N-CA-C 104.814 -2.291 . . . . 0.0 104.814 -178.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo . . . . . 0 CA--C 1.58 2.81 0 C-N-CA 121.743 1.629 . . . . 0.0 111.381 -159.416 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 66.2 p . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 116.843 -1.551 . . . . 0.0 113.978 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . 0.334 11.6 m-20 63.79 -29.24 0.09 Allowed 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 129.283 3.033 . . . . 0.0 115.13 -174.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 41.8 p -132.4 -42.94 0.94 Allowed 'General case' 0 C--O 1.244 0.782 0 CA-C-O 113.539 -3.124 . . . . 0.0 113.261 -164.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.98 -51.2 55.13 Favored 'General case' 0 N--CA 1.508 2.428 0 CA-C-N 122.72 2.509 . . . . 0.0 117.223 162.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -60.01 7.82 0.02 OUTLIER 'General case' 0 CA--C 1.584 2.257 0 N-CA-C 116.067 1.877 . . . . 0.0 116.067 173.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -139.23 -25.06 0.86 Allowed 'General case' 0 N--CA 1.419 -1.982 1 C-N-CA 131.814 4.046 . . . . 0.0 117.625 177.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 35.3 m -81.22 -28.13 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 CA-C-N 122.393 2.361 . . . . 0.0 112.875 169.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 5.7 p -38.44 -52.68 1.57 Allowed 'General case' 0 CA--C 1.497 -1.08 0 CA-C-N 122.773 2.533 . . . . 0.0 107.719 168.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -57.98 -33.03 68.45 Favored 'General case' 0 N--CA 1.427 -1.581 0 O-C-N 126.896 2.623 . . . . 0.0 114.56 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 5.8 mt -79.15 -46.52 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 CA-C-O 118.025 -0.988 . . . . 0.0 111.523 171.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -81.14 -4.18 54.52 Favored 'General case' 0 C--O 1.273 2.315 1 C-N-CA 133.983 4.913 . . . . 0.0 112.697 -168.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . 0.275 24.8 pttt -100.32 -20.22 15.96 Favored 'General case' 0 CA--C 1.579 2.082 0 CA-C-O 112.183 -3.77 . . . . 0.0 111.027 158.284 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.92 -10.9 23.8 Favored 'General case' 0 N--CA 1.506 2.361 0 CA-C-N 121.875 2.125 . . . . 0.0 110.851 -176.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.09 -13.15 32.78 Favored 'General case' 0 N--CA 1.501 2.121 0 CA-C-N 123.51 2.868 . . . . 0.0 112.748 172.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.71 49.13 2.73 Favored Glycine 1 CA--C 1.58 4.153 0 CA-C-O 117.117 -1.935 . . . . 0.0 116.383 -159.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -155.89 118.74 4.22 Favored 'General case' 0 C--O 1.265 1.896 0 N-CA-C 103.668 -2.715 . . . . 0.0 103.668 173.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -56.8 -35.31 68.58 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.051 0.941 . . . . 0.0 110.434 -175.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -59.79 -60.57 3.63 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 128.606 2.762 . . . . 0.0 110.194 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . 0.284 68.2 mtt180 -42.55 -46.99 5.07 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 129.595 3.158 . . . . 0.0 108.824 174.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.8 mm -80.8 -44.0 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 CA-C-O 115.319 -2.277 . . . . 0.0 108.762 -169.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 -50.47 -39.71 48.77 Favored 'General case' 0 N--CA 1.427 -1.586 0 O-C-N 125.393 1.683 . . . . 0.0 111.24 174.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 16.1 mt -60.04 -40.99 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.494 0 CA-C-N 114.324 -1.307 . . . . 0.0 114.013 169.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 43.9 mtm -86.69 -47.58 9.02 Favored 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -175.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.489 ' H ' HD11 ' B' ' 91' ' ' LEU . 5.3 tm-20 -19.65 -54.87 0.01 OUTLIER 'General case' 0 N--CA 1.529 3.49 0 O-C-N 119.759 -1.838 . . . . 0.0 112.763 141.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -68.69 -59.6 3.0 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 175.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 83.3 mt -53.74 -26.93 25.63 Favored 'General case' 0 C--N 1.364 1.224 0 N-CA-C 121.172 3.768 . . . . 0.0 121.172 -177.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 81.4 p -72.94 -3.33 25.21 Favored 'General case' 0 CA--C 1.564 1.516 1 O-C-N 130.365 4.79 . . . . 0.0 118.056 170.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 3.6 m -123.99 -20.87 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.539 0 CA-C-O 117.192 -1.385 . . . . 0.0 112.352 162.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 27.5 t -160.07 104.24 1.5 Allowed 'General case' 0 C--N 1.374 1.637 0 CA-C-N 121.242 1.837 . . . . 0.0 114.177 176.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -51.35 143.17 12.01 Favored 'General case' 0 CA--C 1.597 2.759 0 O-C-N 125.512 1.757 . . . . 0.0 112.545 -174.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.13 158.3 43.87 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 116.04 1.867 . . . . 0.0 116.04 165.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 8.5 t -98.07 151.79 19.98 Favored 'General case' 0 CA--C 1.462 -2.423 0 O-C-N 119.795 -1.815 . . . . 0.0 111.504 162.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.401 HG21 ' CD2' ' B' ' 60' ' ' LEU 0.29 2.6 t 10.2 -70.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.261 1.69 0 C-N-CA 129.861 3.264 . . . . 0.0 119.777 150.485 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.53 -13.77 83.17 Favored Glycine 0 N--CA 1.488 2.151 0 C-N-CA 116.776 -2.631 . . . . 0.0 117.83 -172.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -95.81 -33.03 12.4 Favored 'General case' 0 CA--C 1.568 1.662 0 CA-C-O 117.148 -1.406 . . . . 0.0 111.252 170.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 87.1 mt -50.79 -44.95 27.23 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.078 0 C-N-CA 128.104 2.561 . . . . 0.0 110.626 163.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 39.0 m -60.61 -16.77 41.7 Favored 'General case' 0 CA--C 1.582 2.174 0 CA-C-N 112.911 -1.95 . . . . 0.0 113.534 176.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -101.21 -56.3 2.34 Favored 'General case' 0 CA--C 1.591 2.535 0 CA-C-O 115.759 -2.067 . . . . 0.0 109.054 171.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -53.54 -38.37 63.74 Favored 'General case' 0 C--O 1.274 2.362 0 C-N-CA 128.567 2.747 . . . . 0.0 117.346 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 mt -119.02 12.22 12.69 Favored 'General case' 0 CA--C 1.603 3.019 0 C-N-CA 130.961 3.704 . . . . 0.0 114.839 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 23.7 m120 34.29 59.94 0.6 Allowed 'General case' 0 C--O 1.257 1.493 0 C-N-CA 129.386 3.075 . . . . 0.0 111.245 175.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 47.4 mt -116.28 161.67 18.65 Favored 'General case' 0 N--CA 1.517 2.898 0 O-C-N 118.95 -2.344 . . . . 0.0 108.219 169.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 22.5 p -72.45 145.57 47.51 Favored 'General case' 0 C--N 1.387 2.2 0 CA-C-N 121.467 1.94 . . . . 0.0 108.885 177.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -63.22 -36.14 82.66 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 119.634 -1.916 . . . . 0.0 113.143 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.5 -44.57 96.85 Favored 'General case' 0 CA--C 1.572 1.82 0 C-N-CA 128.39 2.676 . . . . 0.0 110.011 174.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -64.94 -32.35 74.03 Favored 'General case' 0 N--CA 1.509 2.485 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 167.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.501 ' C ' ' H ' ' B' ' 58' ' ' HIS 0.401 52.4 t -76.61 -40.37 33.37 Favored 'Isoleucine or valine' 0 C--N 1.368 1.399 1 O-C-N 115.729 -4.357 . . . . 0.0 113.873 177.734 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 75.7 m -47.92 -7.63 0.02 OUTLIER 'General case' 0 N--CA 1.416 -2.132 0 C-N-CA 130.391 3.476 . . . . 0.0 115.875 156.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . 0.501 ' H ' ' C ' ' B' ' 56' ' ' VAL . 9.8 t-160 -119.08 -37.79 3.15 Favored 'General case' 0 C--N 1.404 2.971 0 C-N-CA 128.036 2.534 . . . . 0.0 117.077 176.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -82.77 -54.12 5.36 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 127.244 2.218 . . . . 0.0 109.719 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.401 ' CD2' HG21 ' B' ' 42' ' ' VAL . 13.3 tp -58.51 -15.64 11.97 Favored 'General case' 0 C--N 1.368 1.386 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 173.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -87.08 -27.07 23.36 Favored 'General case' 0 C--O 1.261 1.702 0 CA-C-O 118.458 -0.782 . . . . 0.0 111.93 168.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -61.55 -53.99 49.07 Favored 'General case' 0 CA--C 1.484 -1.58 0 CA-C-N 121.536 1.971 . . . . 0.0 110.99 172.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 79.4 mt -56.89 -38.22 72.49 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 124.601 2.144 . . . . 0.0 110.043 -172.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -65.86 -49.99 66.14 Favored 'General case' 0 N--CA 1.523 3.216 0 CA-C-N 110.801 -2.909 . . . . 0.0 105.12 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.3 m -75.22 1.41 13.54 Favored 'General case' 0 CA--C 1.562 1.427 0 O-C-N 120.057 -1.652 . . . . 0.0 114.683 -173.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . 0.312 13.0 m -110.08 2.01 9.21 Favored 'Isoleucine or valine' 0 C--N 1.369 1.423 0 O-C-N 116.395 -3.94 . . . . 0.0 111.907 165.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . 0.263 0.9 OUTLIER 61.89 25.58 15.39 Favored 'General case' 0 N--CA 1.408 -2.528 0 C-N-CA 128.241 2.616 . . . . 0.0 117.439 -179.37 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 16.7 mt -72.55 -25.03 61.22 Favored 'General case' 0 N--CA 1.497 1.875 0 C-N-CA 128.189 2.596 . . . . 0.0 112.916 165.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.0 t -130.08 152.28 37.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 C-N-CA 129.026 2.93 . . . . 0.0 113.196 -171.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -138.53 137.89 37.49 Favored 'General case' 0 C--N 1.386 2.182 0 CA-C-O 125.278 2.466 . . . . 0.0 115.784 167.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . 0.533 ' HB2' ' CE2' ' B' ' 80' ' ' TYR . . . -83.89 143.65 29.74 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 112.468 -2.151 . . . . 0.0 110.29 167.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 53.5 pttt . . . . . 0 N--CA 1.499 1.984 0 CA-C-N 114.651 -1.158 . . . . 0.0 110.078 174.461 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 42.5 mtm . . . . . 0 C--O 1.267 1.983 0 N-CA-C 103.991 -2.596 . . . . 0.0 103.991 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 28.3 mm -94.82 150.44 4.1 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.983 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 172.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . 0.533 ' CE2' ' HB2' ' B' ' 71' ' ' ALA . 71.7 m-85 -127.64 145.8 50.76 Favored 'General case' 0 CA--C 1.564 1.481 0 CA-C-O 124.344 2.021 . . . . 0.0 114.491 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 1.5 m -133.96 172.28 13.03 Favored 'General case' 0 N--CA 1.401 -2.904 0 C-N-CA 131.194 3.798 . . . . 0.0 113.287 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 9.6 mp -72.72 156.58 38.79 Favored 'General case' 0 C--O 1.265 1.917 0 O-C-N 118.872 -2.392 . . . . 0.0 107.158 157.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . 0.299 21.4 t0 -71.24 -51.34 25.18 Favored 'General case' 0 C--O 1.285 2.967 0 O-C-N 119.861 -1.775 . . . . 0.0 111.65 -169.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -151.75 -176.04 5.46 Favored 'General case' 0 C--N 1.377 1.793 0 CA-C-O 124.67 2.176 . . . . 0.0 109.945 166.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.1 pp -76.03 0.15 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.16 0 CA-C-N 110.154 -3.203 . . . . 0.0 115.99 -176.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -64.72 -64.04 0.97 Allowed 'General case' 0 C--N 1.281 -2.408 1 O-C-N 115.744 -4.347 . . . . 0.0 116.561 167.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . 0.334 1.6 m -62.29 -32.88 56.29 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.176 0 CA-C-N 114.395 -1.275 . . . . 0.0 112.834 173.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.02 -36.87 85.0 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 117.009 -3.557 . . . . 0.0 110.074 176.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 5.4 m -77.58 -32.15 53.54 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 123.759 1.742 . . . . 0.0 108.976 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 7.5 tmm? -67.19 -44.82 78.69 Favored 'General case' 0 N--CA 1.409 -2.497 0 N-CA-C 120.244 3.424 . . . . 0.0 120.244 172.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.489 HD11 ' H ' ' B' ' 33' ' ' GLU . 4.1 tt -56.7 -50.12 73.11 Favored 'General case' 0 C--O 1.248 0.981 0 CA-C-N 113.237 -1.801 . . . . 0.0 108.145 166.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -73.01 -33.35 65.7 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 118.115 -2.866 . . . . 0.0 109.672 -170.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -79.19 -7.48 58.25 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 117.419 -3.301 . . . . 0.0 113.807 171.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.02 -48.14 22.11 Favored 'General case' 0 CA--C 1.562 1.432 0 CA-C-O 115.152 -2.356 . . . . 0.0 112.18 158.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 2.2 mm -54.98 -41.06 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.804 0 O-C-N 125.5 1.75 . . . . 0.0 110.499 166.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . 0.274 0.9 OUTLIER -64.94 -35.02 79.8 Favored 'General case' 0 N--CA 1.525 3.289 0 O-C-N 120.732 -1.23 . . . . 0.0 114.198 -178.785 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -80.42 -22.71 40.93 Favored 'General case' 0 CA--C 1.576 1.969 0 CA-C-O 124.802 2.239 . . . . 0.0 111.343 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -77.52 -15.75 59.09 Favored 'General case' 0 C--N 1.377 1.772 1 CA-C-O 129.814 4.626 . . . . 0.0 115.682 168.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -138.06 93.34 2.75 Favored 'General case' 0 C--O 1.265 1.898 1 O-C-N 114.18 -5.325 . . . . 0.0 109.584 -166.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 67.0 m170 . . . . . 0 N--CA 1.512 2.671 0 CA-C-O 114.282 -2.77 . . . . 0.0 114.801 -179.113 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 117.317 -1.325 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 47.33 -33.6 0.0 OUTLIER 'General case' 0 CA--C 1.581 2.16 1 C-N-CA 135.027 5.331 . . . . 0.0 116.593 177.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.4 p -148.58 -30.74 0.27 Allowed 'General case' 0 C--O 1.266 1.941 0 C-N-CA 130.162 3.385 . . . . 0.0 115.136 -172.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . 0.25 1.4 mm? -55.46 -41.48 72.99 Favored 'General case' 0 CA--C 1.561 1.367 0 CA-C-O 115.983 -1.96 . . . . 0.0 114.294 -173.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -62.82 -24.81 67.95 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 120.841 1.655 . . . . 0.0 115.378 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -81.21 -12.08 59.24 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 162.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.0 t -83.93 -41.1 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.156 -0.965 . . . . 0.0 111.73 170.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.7 p -67.58 -26.7 66.41 Favored 'General case' 0 N--CA 1.512 2.637 0 C-N-CA 118.345 -1.342 . . . . 0.0 111.623 171.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -68.47 -15.54 63.58 Favored 'General case' 0 C--O 1.204 -1.303 0 C-N-CA 125.898 1.679 . . . . 0.0 112.658 167.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.406 ' H ' HG13 ' A' ' 19' ' ' ILE . 2.7 pp -116.76 29.74 2.44 Favored 'Isoleucine or valine' 0 C--N 1.363 1.184 0 CA-C-N 120.943 1.701 . . . . 0.0 112.709 170.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -117.01 -37.88 3.5 Favored 'General case' 0 C--N 1.366 1.32 0 O-C-N 118.251 -2.781 . . . . 0.0 110.59 160.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -63.34 64.98 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.043 0 O-C-N 124.467 1.104 . . . . 0.0 110.856 150.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -176.99 -26.44 0.01 OUTLIER 'General case' 0 C--N 1.264 -3.112 0 O-C-N 128.554 3.659 . . . . 0.0 109.751 -176.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.6 mt -92.78 -123.5 0.09 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 127.841 2.456 . . . . 0.0 106.785 172.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.29 22.43 0.95 Allowed Glycine 1 CA--C 1.618 6.493 1 N-CA-C 123.864 4.306 . . . . 0.0 123.864 -179.346 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -145.42 -177.69 5.69 Favored 'General case' 0 C--N 1.396 2.598 0 N-CA-C 116.86 2.17 . . . . 0.0 116.86 164.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -99.2 -61.44 1.37 Allowed 'General case' 0 CA--C 1.552 1.035 0 O-C-N 119.104 -2.247 . . . . 0.0 114.065 -165.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -68.83 -45.38 71.3 Favored 'General case' 0 CA--C 1.574 1.875 0 O-C-N 117.144 -3.473 . . . . 0.0 109.167 -175.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -28.95 -30.81 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.587 0 C-N-CA 128.864 2.866 . . . . 0.0 116.083 169.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.9 pt -120.65 -12.43 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 174.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.1 ttp85 -62.6 -20.13 64.43 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 117.573 -3.204 . . . . 0.0 112.827 165.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.4 mt -80.34 -40.86 20.2 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.434 0 O-C-N 119.554 -1.966 . . . . 0.0 112.074 167.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 87.5 mtp -81.15 -50.04 10.09 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-O 115.101 -2.38 . . . . 0.0 108.119 -163.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.435 ' H ' HD12 ' A' ' 91' ' ' LEU . 10.4 tm-20 -11.75 -54.29 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.681 0 N-CA-C 120.43 3.493 . . . . 0.0 120.43 141.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.252 0.2 OUTLIER -81.39 -43.2 19.32 Favored 'General case' 0 N--CA 1.511 2.584 0 CA-C-N 113.782 -1.554 . . . . 0.0 112.561 -175.801 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.425 ' CD2' ' H ' ' A' ' 40' ' ' ALA . 90.0 mt -65.74 -25.87 67.48 Favored 'General case' 0 C--O 1.192 -1.955 0 O-C-N 121.606 -0.684 . . . . 0.0 109.973 -175.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.3 m -67.0 -5.94 14.89 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 129.401 3.081 . . . . 0.0 116.007 174.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.5 m -135.63 -21.72 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 167.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.5 m -155.01 113.5 3.53 Favored 'General case' 0 CA--C 1.489 -1.394 0 C-N-CA 125.645 1.578 . . . . 0.0 109.003 166.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -66.63 143.17 57.16 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 124.089 1.9 . . . . 0.0 112.894 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.425 ' H ' ' CD2' ' A' ' 35' ' ' LEU . . . -141.65 147.83 38.18 Favored 'General case' 0 CA--C 1.623 3.768 0 C-N-CA 129.007 2.923 . . . . 0.0 109.763 -174.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.9 t -103.81 170.45 7.92 Favored 'General case' 1 N--CA 1.587 6.394 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 171.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.417 ' H ' HG23 ' A' ' 42' ' ' VAL . 17.4 t -23.7 -65.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.366 1.315 0 C-N-CA 126.238 1.815 . . . . 0.0 114.564 174.295 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.98 -38.85 94.82 Favored Glycine 0 C--N 1.338 0.687 0 O-C-N 126.095 2.122 . . . . 0.0 115.949 -178.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -84.73 -24.86 28.68 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 116.869 2.174 . . . . 0.0 116.869 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 54.3 mt -66.79 -55.72 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.793 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 169.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -43.46 -44.17 5.72 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 128.611 2.764 . . . . 0.0 114.593 169.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -60.37 -74.0 0.08 Allowed 'General case' 0 C--O 1.203 -1.359 0 O-C-N 118.186 -2.821 . . . . 0.0 113.692 163.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -71.0 -32.76 69.68 Favored 'General case' 0 CA--C 1.599 2.839 0 CA-C-O 122.803 1.287 . . . . 0.0 111.715 -154.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 mp -102.54 10.77 38.63 Favored 'General case' 0 CA--C 1.567 1.621 0 CA-C-O 116.905 -1.521 . . . . 0.0 111.139 176.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.4 m120 57.09 50.1 12.54 Favored 'General case' 0 N--CA 1.51 2.54 0 N-CA-C 118.883 2.92 . . . . 0.0 118.883 172.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.9 mt -112.9 -142.51 0.38 Allowed 'General case' 0 CA--C 1.584 2.279 0 C-N-CA 127.084 2.154 . . . . 0.0 113.424 -177.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.5 p -155.43 164.74 38.31 Favored 'General case' 0 CA--C 1.577 2.019 0 CA-C-N 120.638 1.563 . . . . 0.0 110.221 -178.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -74.43 -44.41 51.95 Favored 'General case' 0 N--CA 1.426 -1.627 0 C-N-CA 118.462 -1.295 . . . . 0.0 114.426 -166.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.5 m -68.22 -42.83 79.23 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 123.148 1.451 . . . . 0.0 109.313 -174.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -51.71 -48.88 63.39 Favored 'General case' 0 C--O 1.194 -1.847 1 C-N-CA 132.129 4.172 . . . . 0.0 112.125 171.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.541 ' C ' ' H ' ' A' ' 58' ' ' HIS . 74.7 t -83.13 -32.78 9.72 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.003 0 O-C-N 118.687 -2.508 . . . . 0.0 111.411 -175.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.6 m -60.16 10.15 0.02 OUTLIER 'General case' 0 C--O 1.248 1.003 0 O-C-N 117.08 -3.512 . . . . 0.0 113.701 162.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.541 ' H ' ' C ' ' A' ' 56' ' ' VAL . 52.4 t-80 -140.56 -30.73 0.64 Allowed 'General case' 0 CA--C 1.567 1.631 0 O-C-N 120.363 -1.46 . . . . 0.0 111.403 -178.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -95.22 -30.58 13.92 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 118.215 -2.803 . . . . 0.0 110.339 177.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.7 tp -60.61 -50.35 73.88 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 129.058 2.943 . . . . 0.0 111.563 156.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -62.71 -39.24 93.41 Favored 'General case' 0 C--N 1.393 2.473 0 N-CA-C 106.668 -1.605 . . . . 0.0 106.668 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -52.3 -70.19 0.09 Allowed 'General case' 1 N--CA 1.54 4.038 0 CA-C-O 115.134 -2.365 . . . . 0.0 111.157 172.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.7 mt -45.82 -53.6 9.41 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 124.122 1.915 . . . . 0.0 111.823 -174.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -49.86 -31.46 12.1 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 111.591 -2.549 . . . . 0.0 117.231 169.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.1 m -90.35 3.91 52.34 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 174.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.7 m -126.04 7.02 4.0 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.5 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 177.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.256 7.6 p80 56.97 26.82 12.3 Favored 'General case' 0 N--CA 1.419 -2.005 0 CA-C-O 126.35 2.976 . . . . 0.0 115.503 175.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.5 mp -79.23 -24.95 42.7 Favored 'General case' 0 C--O 1.247 0.936 0 CA-C-N 113.344 -1.753 . . . . 0.0 115.699 159.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -126.52 155.88 37.07 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.688 0 C-N-CA 131.604 3.961 . . . . 0.0 118.024 -174.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -144.63 128.75 17.64 Favored 'General case' 0 N--CA 1.422 -1.825 0 O-C-N 120.156 -1.59 . . . . 0.0 111.657 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -81.09 146.7 30.47 Favored 'General case' 0 CA--C 1.572 1.798 0 C-N-CA 128.682 2.793 . . . . 0.0 112.704 173.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.423 ' HG3' ' H ' ' A' ' 73' ' ' ARG . 5.0 tttm -150.19 151.95 33.88 Favored 'General case' 0 CA--C 1.485 -1.547 0 CA-C-O 122.843 1.306 . . . . 0.0 109.049 169.194 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.423 ' H ' ' HG3' ' A' ' 72' ' ' LYS . 56.9 ttt-85 . . . . . 0 C--N 1.382 1.993 0 C-N-CA 125.114 1.366 . . . . 0.0 108.92 -171.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 93.6 mmm . . . . . 0 C--O 1.214 -0.805 0 CA-C-O 122.878 1.323 . . . . 0.0 112.988 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . 0.253 5.6 mm -99.88 155.84 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.52 0 N-CA-C 105.069 -2.197 . . . . 0.0 105.069 175.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -135.85 149.29 48.99 Favored 'General case' 0 CA--C 1.461 -2.473 0 CA-C-N 110.383 -3.099 . . . . 0.0 113.533 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.8 m -146.78 165.94 28.14 Favored 'General case' 0 C--O 1.192 -1.97 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 -161.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -53.33 149.04 7.87 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-O 124.752 2.215 . . . . 0.0 109.502 163.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . 0.335 30.7 t70 -52.56 -58.35 7.05 Favored 'General case' 0 N--CA 1.506 2.344 1 O-C-N 113.623 -5.673 . . . . 0.0 113.845 167.633 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -156.7 -177.34 6.54 Favored 'General case' 0 C--O 1.248 0.991 0 CA-C-O 125.018 2.342 . . . . 0.0 110.448 172.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.8 tp -62.9 -18.01 20.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 116.657 -3.777 . . . . 0.0 114.277 176.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -69.03 -50.49 48.2 Favored 'General case' 0 C--O 1.209 -1.077 0 O-C-N 116.654 -3.779 . . . . 0.0 112.098 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.6 p -78.01 -34.74 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.999 0 CA-C-N 112.649 -2.069 . . . . 0.0 116.436 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -47.12 -49.13 22.66 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 120.335 1.425 . . . . 0.0 112.85 154.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.5 m -64.63 -53.34 49.19 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 -175.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 36.8 ttp -53.94 -44.87 71.01 Favored 'General case' 0 C--N 1.389 2.3 0 C-N-CA 125.872 1.669 . . . . 0.0 109.034 -172.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.435 HD12 ' H ' ' A' ' 33' ' ' GLU . 3.3 tt -66.15 -38.2 87.52 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 117.238 -3.414 . . . . 0.0 114.596 167.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.5 tptt -71.23 -41.1 70.59 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 119.262 -2.149 . . . . 0.0 114.755 -176.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -74.79 -16.64 60.7 Favored 'General case' 0 N--CA 1.507 2.414 0 O-C-N 120.208 -1.558 . . . . 0.0 114.918 172.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -78.78 -42.75 27.11 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 117.452 2.39 . . . . 0.0 117.452 164.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.01 -21.22 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.287 0 C-N-CA 125.856 1.663 . . . . 0.0 110.183 169.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -90.88 0.59 57.45 Favored 'General case' 0 CA--C 1.555 1.164 0 N-CA-C 117.547 2.425 . . . . 0.0 117.547 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -119.18 6.65 11.24 Favored 'General case' 0 N--CA 1.521 3.122 0 O-C-N 120.247 -1.533 . . . . 0.0 114.533 163.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.77 -47.86 68.02 Favored 'General case' 0 N--CA 1.505 2.288 0 C-N-CA 126.124 1.77 . . . . 0.0 113.012 164.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -136.39 177.2 8.03 Favored 'General case' 0 N--CA 1.507 2.418 0 CA-C-N 119.272 0.942 . . . . 0.0 112.231 164.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -141.12 60.95 13.32 Favored Pre-proline 0 N--CA 1.513 2.683 0 O-C-N 126.432 2.333 . . . . 0.0 111.6 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo . . . . . 0 N--CA 1.429 -2.309 1 C-N-CA 127.148 5.232 . . . . 0.0 113.299 -165.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 62.9 p . . . . . 0 C--O 1.212 -0.876 0 CA-C-O 117.51 -1.233 . . . . 0.0 112.827 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 34.76 -15.76 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.679 0 N-CA-C 119.873 3.286 . . . . 0.0 119.873 -150.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 33.0 p -116.0 -57.18 2.24 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-N 121.978 2.172 . . . . 0.0 107.673 -162.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.2 -53.93 19.0 Favored 'General case' 0 C--O 1.186 -2.248 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 165.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -47.7 -5.61 0.01 OUTLIER 'General case' 0 C--N 1.276 -2.592 0 C-N-CA 127.393 2.277 . . . . 0.0 116.009 161.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -132.02 -19.27 2.57 Favored 'General case' 0 N--CA 1.404 -2.769 0 N-CA-C 119.707 3.225 . . . . 0.0 119.707 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 m -88.03 -12.33 10.44 Favored 'Isoleucine or valine' 0 C--N 1.369 1.443 0 O-C-N 117.674 -3.141 . . . . 0.0 115.208 171.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.5 p -68.37 -38.04 81.02 Favored 'General case' 0 C--O 1.199 -1.6 0 C-N-CA 117.016 -1.874 . . . . 0.0 110.671 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . 0.262 5.1 tp10 -52.59 -36.7 56.68 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-N 112.429 -2.169 . . . . 0.0 115.692 162.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 50.4 mt -76.53 -42.93 35.48 Favored 'Isoleucine or valine' 0 C--O 1.259 1.576 0 CA-C-O 114.579 -2.629 . . . . 0.0 111.695 169.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . 0.27 5.1 m-30 -79.75 -9.94 59.72 Favored 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 130.801 3.641 . . . . 0.0 110.713 -167.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -84.05 -42.63 15.94 Favored 'General case' 0 C--O 1.276 2.483 0 C-N-CA 127.656 2.383 . . . . 0.0 115.247 157.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.73 -16.04 61.66 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 -176.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 80.9 mt -67.51 -11.81 58.84 Favored 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 124.931 1.293 . . . . 0.0 113.383 178.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.09 42.86 0.3 Allowed Glycine 0 C--O 1.197 -2.209 0 C-N-CA 130.1 3.714 . . . . 0.0 115.347 -161.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -157.72 131.9 8.21 Favored 'General case' 0 CA--C 1.597 2.754 0 CA-C-N 121.316 2.558 . . . . 0.0 106.027 173.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -33.83 74.43 Favored 'General case' 0 CA--C 1.564 1.509 0 CA-C-N 120.061 1.301 . . . . 0.0 110.152 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -69.0 -42.38 76.52 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -178.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -56.76 -35.01 68.15 Favored 'General case' 0 C--O 1.168 -3.194 0 C-N-CA 123.859 0.864 . . . . 0.0 111.596 174.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 13.2 mm -89.62 -45.73 15.22 Favored 'Isoleucine or valine' 0 C--O 1.258 1.514 0 C-N-CA 126.538 1.935 . . . . 0.0 113.279 -169.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -54.12 -24.16 16.67 Favored 'General case' 0 C--N 1.396 2.623 0 C-N-CA 127.108 2.163 . . . . 0.0 107.897 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 31.5 mt -72.8 -38.05 56.53 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.749 0 O-C-N 118.88 -2.388 . . . . 0.0 111.776 171.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . 0.256 70.5 mtm -91.01 -43.24 10.06 Favored 'General case' 0 C--N 1.289 -2.032 1 O-C-N 116.289 -4.007 . . . . 0.0 114.035 -173.199 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.523 ' H ' HD11 ' B' ' 91' ' ' LEU . 3.4 tm-20 -21.73 -43.33 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 127.271 2.228 . . . . 0.0 114.979 135.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.0 -54.09 6.68 Favored 'General case' 0 C--O 1.265 1.872 0 O-C-N 118.989 -2.319 . . . . 0.0 114.437 168.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.519 HD21 ' H ' ' B' ' 40' ' ' ALA . 30.9 mt -61.35 -32.62 72.51 Favored 'General case' 0 CA--C 1.592 2.574 0 C-N-CA 127.757 2.423 . . . . 0.0 115.433 -170.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' SER . . . . . 0.422 ' HB3' ' CD1' ' B' ' 82' ' ' LEU . 36.9 p -62.95 -10.2 12.72 Favored 'General case' 0 N--CA 1.518 2.944 0 CA-C-N 110.653 -2.976 . . . . 0.0 117.735 164.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . 0.296 20.8 m -117.05 -52.28 4.41 Favored 'Isoleucine or valine' 0 C--N 1.365 1.279 0 C-N-CA 129.82 3.248 . . . . 0.0 111.649 172.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 9.1 t -130.47 138.67 50.38 Favored 'General case' 0 C--O 1.202 -1.441 0 C-N-CA 128.895 2.878 . . . . 0.0 115.064 166.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -78.14 134.47 37.67 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 117.838 2.532 . . . . 0.0 117.838 177.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.519 ' H ' HD21 ' B' ' 35' ' ' LEU . . . -144.01 156.85 44.55 Favored 'General case' 0 C--O 1.254 1.314 0 O-C-N 119.918 -1.739 . . . . 0.0 110.238 -176.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 41.2 t -122.42 150.6 42.24 Favored 'General case' 0 C--O 1.255 1.384 0 O-C-N 127.846 3.217 . . . . 0.0 108.228 -175.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 40.6 t -15.0 -65.78 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.96 0 O-C-N 127.409 2.943 . . . . 0.0 118.652 -176.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.8 -45.39 79.71 Favored Glycine 0 CA--C 1.575 3.798 0 O-C-N 126.694 2.496 . . . . 0.0 110.761 -177.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -80.19 -39.11 29.86 Favored 'General case' 0 N--CA 1.419 -2.016 0 C-N-CA 126.437 1.895 . . . . 0.0 111.127 -177.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 92.3 mt -50.39 -40.5 18.37 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.205 0 O-C-N 119.848 -1.782 . . . . 0.0 112.267 165.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 43.1 m -64.8 -22.76 67.05 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 177.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . 0.504 ' CE1' HE21 ' B' ' 48' ' ' GLN 0.255 5.9 t-80 -88.84 -40.21 13.3 Favored 'General case' 0 N--CA 1.512 2.659 0 C-N-CA 124.282 1.033 . . . . 0.0 111.539 173.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.504 HE21 ' CE1' ' B' ' 47' ' ' HIS . 73.0 mm-40 -81.51 -24.66 36.53 Favored 'General case' 0 C--O 1.209 -1.028 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -171.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 5.3 mp -124.45 11.36 8.63 Favored 'General case' 0 C--N 1.363 1.188 0 N-CA-C 117.118 2.266 . . . . 0.0 117.118 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 20.0 m120 49.31 56.81 7.25 Favored 'General case' 0 C--O 1.279 2.643 0 C-N-CA 126.992 2.117 . . . . 0.0 106.097 170.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 72.5 mt -109.46 158.34 18.06 Favored 'General case' 0 CA--C 1.578 2.029 0 C-N-CA 128.584 2.753 . . . . 0.0 104.654 168.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.0 p -76.11 144.51 40.61 Favored 'General case' 0 CA--C 1.555 1.145 0 O-C-N 120.563 -1.336 . . . . 0.0 112.471 163.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -63.57 -36.59 84.3 Favored 'General case' 0 C--O 1.204 -1.316 0 O-C-N 116.615 -3.803 . . . . 0.0 108.625 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.0 m -67.5 -23.59 65.49 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 121.228 1.831 . . . . 0.0 111.426 -177.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -76.02 -39.02 56.6 Favored 'General case' 0 C--O 1.3 3.733 0 O-C-N 118.83 -2.419 . . . . 0.0 112.412 168.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.508 ' C ' ' H ' ' B' ' 58' ' ' HIS 0.387 21.7 t -76.14 -34.66 26.82 Favored 'Isoleucine or valine' 0 C--O 1.279 2.615 0 CA-C-O 113.888 -2.958 . . . . 0.0 113.154 -178.358 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 29.3 m -58.07 0.53 0.06 Allowed 'General case' 0 C--N 1.37 1.462 0 O-C-N 126.605 2.441 . . . . 0.0 114.84 162.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . 0.508 ' H ' ' C ' ' B' ' 56' ' ' VAL . 21.5 t-80 -124.57 -37.48 2.5 Favored 'General case' 0 CA--C 1.485 -1.535 0 CA-C-N 120.073 1.306 . . . . 0.0 114.512 174.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -66.84 -40.44 87.94 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 118.386 -2.696 . . . . 0.0 110.773 174.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 tp -66.05 -36.22 82.64 Favored 'General case' 0 C--O 1.277 2.519 0 O-C-N 119.343 -2.098 . . . . 0.0 108.373 177.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -76.44 -36.0 58.19 Favored 'General case' 0 C--N 1.376 1.757 0 O-C-N 116.96 -3.588 . . . . 0.0 113.628 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -53.1 -60.81 2.82 Favored 'General case' 0 C--O 1.251 1.144 0 CA-C-N 120.263 1.392 . . . . 0.0 108.089 168.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 86.3 mt -55.06 -37.84 67.26 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 123.859 0.725 . . . . 0.0 112.609 -174.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -55.83 -56.64 18.17 Favored 'General case' 0 C--O 1.207 -1.155 0 C-N-CA 128.915 2.886 . . . . 0.0 107.971 179.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.0 m -62.54 -8.54 6.52 Favored 'General case' 0 CA--C 1.573 1.839 0 C-N-CA 129.726 3.211 . . . . 0.0 118.352 171.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 1.3 m -112.87 19.95 6.84 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.916 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 159.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 27.9 m170 56.52 13.73 1.44 Allowed 'General case' 0 C--O 1.272 2.256 0 N-CA-C 118.205 2.668 . . . . 0.0 118.205 170.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 10.5 mt -86.38 -23.08 26.27 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.393 -0.817 . . . . 0.0 109.505 171.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.0 t -108.86 151.8 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 O-C-N 125.314 1.634 . . . . 0.0 112.002 169.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -132.5 161.39 33.88 Favored 'General case' 0 N--CA 1.501 2.093 0 CA-C-N 114.808 -1.087 . . . . 0.0 113.391 158.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -96.95 171.59 8.4 Favored 'General case' 0 C--O 1.265 1.908 0 CA-C-N 113.475 -1.693 . . . . 0.0 110.18 159.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 48.4 pttt . . . . . 0 N--CA 1.488 1.457 1 C-N-CA 135.453 5.501 . . . . 0.0 111.279 164.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 36.5 mtm . . . . . 0 N--CA 1.51 2.575 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . 0.263 43.3 mm -86.63 156.92 3.3 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 161.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -127.12 149.98 49.7 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 126.827 2.051 . . . . 0.0 113.157 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 58.1 m -143.81 156.24 44.41 Favored 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 128.925 2.89 . . . . 0.0 110.321 -170.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.422 ' CD1' ' HB3' ' B' ' 36' ' ' SER . 2.5 mt -48.57 141.85 6.58 Favored 'General case' 0 C--O 1.261 1.661 0 O-C-N 119.952 -1.717 . . . . 0.0 110.791 147.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -65.47 -41.97 92.76 Favored 'General case' 0 CA--C 1.492 -1.26 0 O-C-N 120.265 -1.522 . . . . 0.0 114.442 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -167.53 -175.45 2.84 Favored 'General case' 0 C--O 1.248 0.998 0 C-N-CA 118.105 -1.438 . . . . 0.0 112.048 158.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.8 pp -64.57 -2.59 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 C-N-CA 127.094 2.157 . . . . 0.0 112.009 -172.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -72.42 -69.21 0.42 Allowed 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 123.492 2.86 . . . . 0.0 111.96 172.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 3.2 m -77.05 -15.8 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.339 0 CA-C-N 124.284 3.22 . . . . 0.0 112.652 -177.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.07 -49.75 65.77 Favored 'General case' 1 CA--C 1.642 4.506 0 C-N-CA 128.949 2.9 . . . . 0.0 106.254 161.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 89.0 m -77.4 -33.3 55.08 Favored 'General case' 0 C--N 1.285 -2.205 0 CA-C-O 116.947 -1.502 . . . . 0.0 112.079 -172.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -57.89 -51.41 69.74 Favored 'General case' 0 N--CA 1.512 2.672 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 162.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.523 HD11 ' H ' ' B' ' 33' ' ' GLU . 5.4 tt -66.61 -54.28 25.15 Favored 'General case' 0 N--CA 1.49 1.535 1 CA-C-O 110.932 -4.366 . . . . 0.0 108.605 178.482 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -52.73 -34.28 51.96 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 124.679 3.4 . . . . 0.0 111.492 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -82.69 -12.75 57.36 Favored 'General case' 0 C--O 1.252 1.214 0 C-N-CA 126.362 1.865 . . . . 0.0 113.083 -177.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.64 -45.46 19.02 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.545 1.938 . . . . 0.0 107.362 172.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 2.8 mm -59.37 -43.51 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 120.868 -1.145 . . . . 0.0 108.268 169.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -64.18 -32.24 73.74 Favored 'General case' 0 CA--C 1.585 2.3 0 O-C-N 121.24 -0.912 . . . . 0.0 112.8 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -70.75 -40.73 72.52 Favored 'General case' 0 N--CA 1.424 -1.754 0 C-N-CA 117.433 -1.707 . . . . 0.0 113.651 171.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.57 -23.99 66.35 Favored 'General case' 0 N--CA 1.533 3.702 0 N-CA-C 119.115 3.006 . . . . 0.0 119.115 168.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -128.35 85.31 2.32 Favored 'General case' 0 C--N 1.372 1.577 0 O-C-N 127.101 2.751 . . . . 0.0 108.305 -170.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 39.7 m170 . . . . . 0 CA--C 1.586 2.348 0 O-C-N 127.634 3.084 . . . . 0.0 113.54 176.848 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.525 3.28 0 CA-C-O 118.634 -0.698 . . . . 0.0 112.159 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 49.84 -34.52 0.0 OUTLIER 'General case' 0 N--CA 1.523 3.223 1 N-CA-C 122.537 4.273 . . . . 0.0 122.537 -172.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.1 p -147.03 -37.92 0.21 Allowed 'General case' 0 C--O 1.273 2.325 0 C-N-CA 126.575 1.95 . . . . 0.0 115.347 -174.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.44 -31.05 70.99 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-O 115.558 -2.163 . . . . 0.0 113.759 -163.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -58.39 -18.59 29.1 Favored 'General case' 0 C--O 1.204 -1.295 0 CA-C-N 123.523 2.874 . . . . 0.0 110.009 176.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -93.17 -23.6 18.52 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 127.536 2.334 . . . . 0.0 112.903 -175.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.5 t -99.09 -40.68 9.15 Favored 'Isoleucine or valine' 0 C--O 1.247 0.939 0 C-N-CA 127.975 2.51 . . . . 0.0 109.28 -165.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.1 p -40.27 -38.25 0.76 Allowed 'General case' 0 C--O 1.218 -0.564 0 O-C-N 117.069 -3.52 . . . . 0.0 113.179 154.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -58.56 -24.18 60.18 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 119.88 1.218 . . . . 0.0 113.662 175.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.3 pp -104.95 17.64 5.42 Favored 'Isoleucine or valine' 0 C--O 1.26 1.612 0 O-C-N 119.084 -2.26 . . . . 0.0 113.606 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -106.73 -43.62 4.66 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.409 1.884 . . . . 0.0 111.454 161.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -59.46 61.91 0.0 OUTLIER 'General case' 0 C--N 1.28 -2.446 0 C-N-CA 130.324 3.45 . . . . 0.0 112.753 147.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -165.39 -38.9 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.107 1 CA-C-N 107.343 -4.48 . . . . 0.0 106.709 173.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.413 HD11 ' CD2' ' B' ' 20' ' ' PHE . 4.9 mt -81.44 -135.12 0.03 OUTLIER 'General case' 0 N--CA 1.524 3.246 0 C-N-CA 131.436 3.894 . . . . 0.0 110.151 -176.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.86 14.89 32.49 Favored Glycine 0 CA--C 1.555 2.552 0 O-C-N 127.885 3.24 . . . . 0.0 117.743 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -130.75 171.12 13.47 Favored 'General case' 0 C--N 1.396 2.627 0 O-C-N 125.86 1.564 . . . . 0.0 111.972 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -89.76 -70.57 0.66 Allowed 'General case' 0 C--N 1.363 1.181 0 C-N-CA 126.682 1.993 . . . . 0.0 112.317 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -65.73 -52.25 52.7 Favored 'General case' 0 CA--C 1.578 2.035 0 O-C-N 125.515 1.759 . . . . 0.0 110.331 -168.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -22.44 -34.41 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.417 0 C-N-CA 131.353 3.861 . . . . 0.0 117.137 167.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.2 pt -118.02 -14.46 9.63 Favored 'Isoleucine or valine' 0 C--O 1.263 1.806 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.8 ttp85 -63.72 -26.05 68.48 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 125.67 2.653 . . . . 0.0 111.672 161.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.2 mt -65.35 -51.62 62.18 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.294 0 O-C-N 119.004 -2.31 . . . . 0.0 112.487 167.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.455 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 29.2 mtp -83.93 -44.76 13.9 Favored 'General case' 0 C--O 1.261 1.67 0 O-C-N 119.73 -1.856 . . . . 0.0 115.562 -170.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.474 ' H ' HD12 ' A' ' 91' ' ' LEU . 8.8 tm-20 -21.39 -52.01 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 117.924 2.565 . . . . 0.0 117.924 145.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.89 -57.1 4.12 Favored 'General case' 0 N--CA 1.517 2.879 0 C-N-CA 119.565 -0.854 . . . . 0.0 112.031 179.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.425 HD22 ' H ' ' A' ' 40' ' ' ALA . 73.5 mt -52.59 -22.87 5.47 Favored 'General case' 0 C--O 1.19 -2.06 0 N-CA-C 117.04 2.237 . . . . 0.0 117.04 -173.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.256 8.5 m -74.78 -10.32 59.4 Favored 'General case' 0 C--O 1.182 -2.462 0 CA-C-N 110.889 -2.868 . . . . 0.0 112.83 177.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.2 m -140.04 -23.11 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 CA-C-N 115.248 -0.887 . . . . 0.0 112.803 -174.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.2 m -161.53 95.77 1.02 Allowed 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 124.918 2.294 . . . . 0.0 109.453 156.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -55.76 142.82 33.17 Favored 'General case' 0 N--CA 1.522 3.135 0 N-CA-C 117.537 2.421 . . . . 0.0 117.537 -176.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.425 ' H ' HD22 ' A' ' 35' ' ' LEU . . . -142.95 166.69 23.96 Favored 'General case' 0 C--N 1.421 3.681 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 173.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.5 t -96.8 154.0 17.55 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 112.019 -2.355 . . . . 0.0 110.544 169.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.6 t -12.8 -64.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.267 1.986 0 C-N-CA 130.023 3.329 . . . . 0.0 119.759 171.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.76 -40.75 93.32 Favored Glycine 0 C--O 1.276 2.758 0 N-CA-C 118.972 2.349 . . . . 0.0 118.972 171.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -89.83 -24.43 21.42 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 120.288 2.044 . . . . 0.0 105.589 -173.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.3 mt -50.84 -61.51 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.266 0 CA-C-N 118.676 0.671 . . . . 0.0 109.973 158.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.5 m -58.44 -16.28 14.37 Favored 'General case' 0 N--CA 1.424 -1.768 0 C-N-CA 129.072 2.949 . . . . 0.0 112.033 178.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -89.92 -61.03 1.78 Allowed 'General case' 0 N--CA 1.506 2.339 0 CA-C-O 114.546 -2.645 . . . . 0.0 109.128 172.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -77.23 -27.96 53.55 Favored 'General case' 0 C--N 1.285 -2.222 0 C-N-CA 128.148 2.579 . . . . 0.0 107.029 -163.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 mp -96.79 -4.45 40.48 Favored 'General case' 0 CA--C 1.558 1.265 1 O-C-N 114.836 -4.915 . . . . 0.0 108.557 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.265 30.8 m120 47.13 65.14 1.32 Allowed 'General case' 0 N--CA 1.425 -1.679 0 O-C-N 117.714 -3.117 . . . . 0.0 113.16 -174.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.9 mt -108.22 -133.25 0.33 Allowed 'General case' 0 C--N 1.391 2.39 0 CA-C-N 111.679 -2.51 . . . . 0.0 113.798 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.1 p -159.02 151.49 21.55 Favored 'General case' 0 N--CA 1.52 3.046 0 CA-C-O 117.793 -1.099 . . . . 0.0 109.02 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -60.24 -31.98 70.7 Favored 'General case' 0 N--CA 1.509 2.502 0 O-C-N 125.499 1.749 . . . . 0.0 111.288 174.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . 0.252 29.8 m -63.39 -30.46 71.58 Favored 'General case' 0 N--CA 1.525 3.299 0 C-N-CA 128.675 2.79 . . . . 0.0 110.36 170.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -80.38 -43.75 20.56 Favored 'General case' 0 CA--C 1.559 1.314 0 CA-C-O 128.303 3.906 . . . . 0.0 105.895 -171.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.469 ' C ' ' H ' ' A' ' 58' ' ' HIS . 18.7 t -91.16 -37.04 8.68 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.608 1 O-C-N 116.143 -4.098 . . . . 0.0 113.643 -158.481 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.7 m -70.75 18.73 0.06 Allowed 'General case' 0 CA--C 1.555 1.166 0 O-C-N 119.673 -1.892 . . . . 0.0 115.754 166.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.469 ' H ' ' C ' ' A' ' 56' ' ' VAL . 56.4 t-80 -122.81 -50.02 1.97 Allowed 'General case' 0 C--O 1.25 1.118 0 C-N-CA 128.064 2.546 . . . . 0.0 108.431 175.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -90.34 -41.03 11.74 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 130.048 3.339 . . . . 0.0 110.896 -171.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.9 tp -67.82 -34.77 77.4 Favored 'General case' 0 CA--C 1.56 1.361 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 171.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -65.67 -45.88 81.23 Favored 'General case' 0 C--O 1.189 -2.126 0 CA-C-O 114.618 -2.61 . . . . 0.0 113.201 170.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.44 -52.79 63.96 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 125.203 1.564 . . . . 0.0 108.899 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.2 mt -58.68 -37.54 76.27 Favored 'General case' 0 CA--C 1.475 -1.93 0 CA-C-O 126.939 3.257 . . . . 0.0 111.49 -171.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -52.77 -54.9 27.48 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 131.491 3.916 . . . . 0.0 109.155 173.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.4 m -59.57 -26.67 65.59 Favored 'General case' 0 CA--C 1.582 2.198 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 177.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.266 33.7 m -106.22 10.97 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.629 0 CA-C-O 122.929 1.347 . . . . 0.0 114.345 -175.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.7 p80 61.76 24.11 14.29 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 130.747 3.619 . . . . 0.0 116.619 173.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.3 mp -84.13 -25.28 29.8 Favored 'General case' 0 CA--C 1.499 -0.995 0 CA-C-N 112.974 -1.921 . . . . 0.0 108.291 173.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.285 2.3 t -112.45 157.43 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 130.508 3.523 . . . . 0.0 110.861 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -130.11 145.2 51.68 Favored 'General case' 0 N--CA 1.503 2.213 0 C-N-CA 127.674 2.389 . . . . 0.0 113.389 154.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.46 ' HB1' ' CE2' ' A' ' 80' ' ' TYR . . . -91.54 150.54 21.15 Favored 'General case' 0 CA--C 1.577 2.016 1 O-C-N 129.146 4.028 . . . . 0.0 114.848 165.481 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -154.5 152.52 30.19 Favored 'General case' 0 CA--C 1.494 -1.182 0 O-C-N 126.321 2.263 . . . . 0.0 113.303 163.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 . . . . . 0 N--CA 1.517 2.879 0 CA-C-O 115.868 -2.015 . . . . 0.0 109.74 -177.921 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 28.6 mtt . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 122.9 1.333 . . . . 0.0 108.063 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.5 mm -108.45 149.95 11.43 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.352 0 C-N-CA 130.537 3.535 . . . . 0.0 107.621 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.46 ' CE2' ' HB1' ' A' ' 71' ' ' ALA . 52.4 m-85 -134.99 145.95 48.6 Favored 'General case' 0 C--N 1.382 2.021 0 O-C-N 120.124 -1.61 . . . . 0.0 112.499 -173.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . 0.381 20.0 m -158.52 174.52 14.96 Favored 'General case' 0 CA--C 1.483 -1.613 0 N-CA-C 120.916 3.673 . . . . 0.0 120.916 -163.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -56.1 132.27 49.82 Favored 'General case' 0 C--N 1.309 -1.187 0 C-N-CA 127.177 2.191 . . . . 0.0 113.826 166.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.07 -56.24 18.62 Favored 'General case' 0 CA--C 1.583 2.24 0 O-C-N 118.158 -2.839 . . . . 0.0 113.247 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -151.75 -179.33 7.34 Favored 'General case' 0 C--O 1.28 2.689 0 CA-C-O 113.391 -3.195 . . . . 0.0 118.144 169.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.3 tp -60.59 -20.58 21.38 Favored 'Isoleucine or valine' 0 C--O 1.263 1.783 0 N-CA-C 118.197 2.665 . . . . 0.0 118.197 -175.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -61.86 -45.4 93.94 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 122.067 0.937 . . . . 0.0 108.784 175.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.1 p -96.2 -28.77 3.89 Favored 'Isoleucine or valine' 0 C--O 1.175 -2.844 0 CA-C-O 115.109 -2.377 . . . . 0.0 106.467 -165.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.54 -34.31 35.87 Favored 'General case' 0 N--CA 1.507 2.421 0 CA-C-N 119.76 1.164 . . . . 0.0 113.9 154.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.7 m -82.36 -45.64 14.62 Favored 'General case' 0 CA--C 1.499 -0.992 0 O-C-N 119.906 -1.746 . . . . 0.0 112.462 175.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 39.7 ttp -49.81 -58.82 4.6 Favored 'General case' 0 CA--C 1.589 2.45 0 O-C-N 118.303 -2.748 . . . . 0.0 117.029 -175.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.474 HD12 ' H ' ' A' ' 33' ' ' GLU . 4.0 tt -63.34 -44.03 96.04 Favored 'General case' 0 N--CA 1.427 -1.593 0 O-C-N 125.723 1.889 . . . . 0.0 108.84 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -66.49 -26.94 67.41 Favored 'General case' 0 N--CA 1.514 2.726 0 O-C-N 119.963 -1.711 . . . . 0.0 112.513 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -84.98 -17.22 38.29 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-N 120.657 1.571 . . . . 0.0 113.936 172.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.466 ' C ' ' H ' ' A' ' 96' ' ' HIS . . . -84.29 -45.81 12.45 Favored 'General case' 0 CA--C 1.606 3.121 0 CA-C-O 114.882 -2.485 . . . . 0.0 110.055 176.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -47.77 -8.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.392 2.425 0 C-N-CA 130.622 3.569 . . . . 0.0 114.362 160.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.466 ' H ' ' C ' ' A' ' 94' ' ' ALA . 0.8 OUTLIER -107.89 -18.64 13.75 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 125.871 1.982 . . . . 0.0 111.668 -170.043 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . 0.285 7.9 t60 -101.57 -18.01 16.11 Favored 'General case' 0 CA--C 1.559 1.317 0 O-C-N 118.002 -2.936 . . . . 0.0 113.837 169.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -44.56 -28.8 0.63 Allowed 'General case' 0 C--N 1.385 2.134 0 C-N-CA 126.658 1.983 . . . . 0.0 113.113 167.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -167.32 153.6 8.0 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 131.679 3.991 . . . . 0.0 107.484 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -122.46 71.49 37.02 Favored Pre-proline 0 CA--C 1.573 1.852 0 C-N-CA 126.213 1.805 . . . . 0.0 111.511 177.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo . . . . . 0 N--CA 1.409 -3.497 1 C-N-CA 125.999 4.466 . . . . 0.0 114.292 -165.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 10.6 p . . . . . 0 CA--C 1.587 2.384 0 CA-C-O 117.552 -1.213 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 52.64 -31.06 0.01 OUTLIER 'General case' 1 N--CA 1.562 5.145 0 C-N-CA 130.146 3.378 . . . . 0.0 119.303 -167.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.4 p -137.13 -48.95 0.61 Allowed 'General case' 0 N--CA 1.527 3.418 0 O-C-N 118.06 -2.9 . . . . 0.0 108.717 -151.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.66 -46.95 58.74 Favored 'General case' 0 C--O 1.204 -1.312 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 170.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -63.59 2.62 0.42 Allowed 'General case' 0 C--O 1.244 0.813 0 N-CA-C 118.641 2.83 . . . . 0.0 118.641 171.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . 0.402 3.0 mmp_? -127.62 -13.58 5.34 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 126.944 2.098 . . . . 0.0 115.039 178.067 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 3.2 m -98.93 -12.15 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 117.525 2.417 . . . . 0.0 117.525 158.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.6 p -65.61 -33.94 77.07 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 119.633 -1.917 . . . . 0.0 109.731 168.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -46.34 -45.81 17.85 Favored 'General case' 0 CA--C 1.575 1.927 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 155.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 71.3 mt -82.52 -59.7 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.069 0 O-C-N 119.566 -1.958 . . . . 0.0 111.269 -172.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.413 ' CD2' HD11 ' A' ' 23' ' ' LEU . 6.3 m-30 -79.14 11.97 2.53 Favored 'General case' 0 CA--C 1.595 2.696 0 C-N-CA 124.144 0.978 . . . . 0.0 111.964 -173.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 40.9 pttt -96.41 -44.28 7.28 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-N 119.777 1.171 . . . . 0.0 114.123 152.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.29 -21.36 48.71 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 127.1 2.16 . . . . 0.0 111.271 -177.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 16.4 mt -63.57 -0.46 0.95 Allowed 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.856 2.062 . . . . 0.0 109.748 169.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.55 41.43 0.81 Allowed Glycine 0 N--CA 1.488 2.164 0 CA-C-O 114.817 -3.213 . . . . 0.0 119.858 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -164.33 119.9 1.52 Allowed 'General case' 0 CA--C 1.568 1.662 0 O-C-N 127.774 2.691 . . . . 0.0 103.752 157.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -45.4 -32.3 2.04 Favored 'General case' 0 N--CA 1.425 -1.716 0 N-CA-C 120.291 3.441 . . . . 0.0 120.291 178.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -66.19 -43.74 85.95 Favored 'General case' 0 CA--C 1.57 1.724 1 O-C-N 115.917 -4.24 . . . . 0.0 111.41 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -52.22 -36.69 52.92 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 126.703 2.001 . . . . 0.0 113.549 168.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 40.8 mm -81.74 -38.32 15.92 Favored 'Isoleucine or valine' 0 C--O 1.251 1.18 0 CA-C-O 126.601 3.096 . . . . 0.0 112.98 -175.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . 0.278 49.2 ttt-85 -67.66 -27.05 66.53 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-N 111.173 -2.739 . . . . 0.0 112.717 172.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 24.0 mt -71.75 -47.81 54.82 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 CA-C-O 113.583 -3.103 . . . . 0.0 110.065 163.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 77.5 mtm -79.49 -35.55 40.01 Favored 'General case' 0 C--N 1.376 1.731 1 CA-C-N 126.143 4.065 . . . . 0.0 116.251 -169.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.402 ' H ' HD11 ' B' ' 91' ' ' LEU . 2.1 tm-20 -26.4 -65.02 0.07 Allowed 'General case' 0 C--O 1.189 -2.113 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 139.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.44 -48.6 72.19 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-O 124.19 1.948 . . . . 0.0 113.969 -175.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.661 ' CD2' ' H ' ' B' ' 40' ' ' ALA . 92.0 mt -55.34 -26.9 43.7 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 117.969 -2.957 . . . . 0.0 117.115 177.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 1.9 p -62.54 -38.26 89.33 Favored 'General case' 0 CA--C 1.598 2.814 0 C-N-CA 131.193 3.797 . . . . 0.0 111.73 173.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . 0.295 5.6 m -91.49 -48.27 13.92 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.424 0 C-N-CA 131.346 3.858 . . . . 0.0 119.125 171.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 5.0 t -155.47 97.3 1.86 Allowed 'General case' 0 C--O 1.215 -0.75 0 O-C-N 124.721 1.263 . . . . 0.0 110.694 175.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.571 ' CD ' ' HG ' ' B' ' 81' ' ' SER . 15.3 pt-20 -44.19 136.6 3.85 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 124.231 1.967 . . . . 0.0 109.117 -178.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.661 ' H ' ' CD2' ' B' ' 35' ' ' LEU . . . -138.99 150.35 45.75 Favored 'General case' 0 CA--C 1.586 2.331 0 O-C-N 119.753 -1.842 . . . . 0.0 108.988 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . 0.279 7.5 t -93.69 164.24 13.23 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 126.797 2.039 . . . . 0.0 113.329 165.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 33.9 t -26.95 -70.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.258 1.505 0 N-CA-C 117.228 2.307 . . . . 0.0 117.228 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.18 -34.2 83.21 Favored Glycine 0 N--CA 1.486 2.001 0 C-N-CA 127.615 2.531 . . . . 0.0 112.405 -175.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -72.46 -48.32 41.87 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 119.398 -2.236 . . . . 0.0 114.508 170.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 68.9 mt -44.5 -56.63 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.372 0 O-C-N 118.465 -2.647 . . . . 0.0 107.436 172.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 63.4 m -56.71 -25.28 53.94 Favored 'General case' 0 N--CA 1.518 2.961 0 CA-C-N 112.828 -1.987 . . . . 0.0 116.28 -171.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -82.59 -62.15 1.69 Allowed 'General case' 0 C--O 1.282 2.809 0 C-N-CA 130.356 3.462 . . . . 0.0 108.321 171.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -68.18 -36.71 80.03 Favored 'General case' 0 N--CA 1.492 1.638 1 O-C-N 115.713 -4.367 . . . . 0.0 112.164 -167.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 6.1 mp -103.87 -2.46 26.21 Favored 'General case' 0 CA--C 1.609 3.244 0 C-N-CA 123.583 0.753 . . . . 0.0 109.036 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 29.9 m120 70.03 61.58 0.24 Allowed 'General case' 0 N--CA 1.467 0.392 1 O-C-N 113.606 -5.684 . . . . 0.0 111.765 167.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 13.9 mt -132.61 164.04 27.56 Favored 'General case' 0 N--CA 1.537 3.88 0 CA-C-O 114.667 -2.587 . . . . 0.0 115.344 171.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 89.2 p -74.28 148.01 41.83 Favored 'General case' 0 CA--C 1.494 -1.21 0 CA-C-N 121.403 1.91 . . . . 0.0 112.525 174.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -68.66 -38.48 80.45 Favored 'General case' 0 CA--C 1.475 -1.929 0 CA-C-N 120.089 1.313 . . . . 0.0 107.47 -168.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.7 p -80.45 -2.34 45.41 Favored 'General case' 0 N--CA 1.432 -1.325 0 O-C-N 120.026 -1.671 . . . . 0.0 111.231 -176.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -82.88 -24.87 33.0 Favored 'General case' 0 C--O 1.263 1.775 0 O-C-N 117.01 -3.556 . . . . 0.0 114.513 151.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . 0.379 13.3 t -86.62 -25.81 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 N-CA-C 115.308 1.596 . . . . 0.0 115.308 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 25.6 m -69.11 16.22 0.05 Allowed 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 114.168 -3.013 . . . . 0.0 117.668 157.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -132.23 -46.17 0.92 Allowed 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 116.57 -1.681 . . . . 0.0 110.107 173.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -57.12 -48.35 78.87 Favored 'General case' 0 C--O 1.185 -2.334 0 CA-C-O 126.675 3.131 . . . . 0.0 116.195 174.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.459 HD22 ' CG ' ' B' ' 80' ' ' TYR . 9.9 tp -55.38 -54.06 48.36 Favored 'General case' 0 C--O 1.255 1.376 0 CA-C-N 112.355 -2.202 . . . . 0.0 111.055 171.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -63.92 -25.79 68.3 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 128.132 2.573 . . . . 0.0 113.341 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.47 -53.03 8.12 Favored 'General case' 0 CA--C 1.569 1.675 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 173.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 18.2 mt -64.56 -34.67 78.78 Favored 'General case' 0 CA--C 1.569 1.689 0 O-C-N 119.104 -2.247 . . . . 0.0 110.579 -167.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 50.2 tttt -58.73 -49.92 75.81 Favored 'General case' 0 CA--C 1.579 2.082 1 CA-C-N 108.244 -4.071 . . . . 0.0 110.364 173.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 4.7 m -78.22 6.01 9.06 Favored 'General case' 0 C--N 1.277 -2.552 0 O-C-N 126.421 2.326 . . . . 0.0 114.56 173.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 1.3 m -117.3 11.52 7.3 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 O-C-N 127.013 2.696 . . . . 0.0 113.415 158.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . 0.564 4.6 m80 70.93 13.88 6.96 Favored 'General case' 0 C--O 1.208 -1.131 0 N-CA-C 117.969 2.581 . . . . 0.0 117.969 170.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 19.3 mt -85.64 -15.94 40.79 Favored 'General case' 0 CA--C 1.572 1.795 1 CA-C-O 128.506 4.003 . . . . 0.0 113.895 175.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.61 162.35 38.79 Favored 'Isoleucine or valine' 0 C--O 1.284 2.885 1 C-N-CA 131.872 4.069 . . . . 0.0 107.359 -171.464 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -139.01 153.79 48.17 Favored 'General case' 0 CA--C 1.57 1.734 0 CA-C-O 124.671 2.176 . . . . 0.0 109.964 162.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . 0.455 ' HB1' ' CE2' ' B' ' 80' ' ' TYR . . . -98.03 127.71 44.14 Favored 'General case' 0 C--N 1.389 2.304 0 O-C-N 118.423 -2.673 . . . . 0.0 109.55 164.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 46.9 pttt . . . . . 0 N--CA 1.487 1.401 0 N-CA-C 106.549 -1.649 . . . . 0.0 106.549 169.729 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 15.4 mtt . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 120.535 0.207 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.9 mm -99.55 143.32 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.583 0 C-N-CA 128.882 2.873 . . . . 0.0 103.368 174.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . 0.459 ' CG ' HD22 ' B' ' 60' ' ' LEU . 46.2 m-85 -122.14 130.76 53.52 Favored 'General case' 0 C--O 1.266 1.955 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.571 ' HG ' ' CD ' ' B' ' 39' ' ' GLU . 14.9 m -143.99 154.75 43.6 Favored 'General case' 0 N--CA 1.499 2.003 0 C-N-CA 126.566 1.946 . . . . 0.0 109.296 -169.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 81.2 mt -62.26 151.86 35.17 Favored 'General case' 0 CA--C 1.574 1.873 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 177.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -70.65 -39.77 73.44 Favored 'General case' 0 C--O 1.276 2.453 1 O-C-N 115.747 -4.346 . . . . 0.0 110.033 -164.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . 0.255 3.0 p30 -159.6 172.98 16.8 Favored 'General case' 1 N--CA 1.541 4.1 0 C-N-CA 126.451 1.9 . . . . 0.0 112.142 162.252 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -10.22 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.925 0 N-CA-C 120.882 3.66 . . . . 0.0 120.882 176.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -68.74 -57.47 5.6 Favored 'General case' 0 N--CA 1.414 -2.253 0 O-C-N 120.091 -1.631 . . . . 0.0 108.842 -173.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . 0.4 HG12 ' H ' ' B' ' 87' ' ' VAL . 1.4 m -79.57 -12.66 13.21 Favored 'Isoleucine or valine' 0 C--O 1.256 1.415 0 O-C-N 119.408 -2.057 . . . . 0.0 109.464 -174.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.78 -37.76 71.54 Favored 'General case' 0 CA--C 1.573 1.864 0 O-C-N 117.689 -3.132 . . . . 0.0 113.399 160.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 6.9 m -97.27 -31.27 12.5 Favored 'General case' 0 N--CA 1.415 -2.201 0 CA-C-O 113.399 -3.191 . . . . 0.0 108.445 -169.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -47.81 -65.26 0.6 Allowed 'General case' 0 C--O 1.279 2.625 0 O-C-N 125.629 1.83 . . . . 0.0 110.586 155.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.402 HD11 ' H ' ' B' ' 33' ' ' GLU . 7.0 tt -62.94 -48.41 79.02 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-O 114.88 -2.486 . . . . 0.0 109.116 -171.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -45.56 -41.57 10.05 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-N 123.377 2.808 . . . . 0.0 110.742 173.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -89.7 -19.77 24.41 Favored 'General case' 0 CA--C 1.578 2.021 0 CA-C-N 112.871 -1.968 . . . . 0.0 114.28 -174.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.26 -41.52 80.99 Favored 'General case' 0 C--O 1.203 -1.356 0 O-C-N 119.031 -2.293 . . . . 0.0 109.989 164.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mm -57.6 -47.94 84.3 Favored 'Isoleucine or valine' 0 CA--C 1.605 3.059 0 N-CA-C 102.851 -3.018 . . . . 0.0 102.851 167.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -68.64 -30.02 68.64 Favored 'General case' 0 C--O 1.267 1.988 0 CA-C-O 116.194 -1.86 . . . . 0.0 114.317 -166.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -77.49 -5.96 51.83 Favored 'General case' 0 C--O 1.284 2.911 0 CA-C-O 124.033 1.873 . . . . 0.0 114.157 175.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . 0.252 . . -109.57 -5.73 15.61 Favored 'General case' 0 C--O 1.199 -1.568 0 C-N-CA 126.682 1.993 . . . . 0.0 115.452 167.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -130.34 75.68 1.67 Allowed 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 127.816 2.446 . . . . 0.0 108.257 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 27.0 m170 . . . . . 0 C--N 1.316 -0.874 0 C-N-CA 117.032 -1.867 . . . . 0.0 109.43 -172.773 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.9 p . . . . . 0 C--O 1.207 -1.166 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 53.62 -52.03 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.376 1 C-N-CA 132.134 4.174 . . . . 0.0 117.465 174.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 58.3 p -125.78 -35.02 2.55 Favored 'General case' 0 C--O 1.189 -2.126 1 C-N-CA 132.385 4.274 . . . . 0.0 113.317 -175.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -57.4 -29.53 64.18 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 126.458 1.903 . . . . 0.0 114.369 -160.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -79.91 6.62 10.71 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 127.59 2.356 . . . . 0.0 112.213 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -124.32 -3.12 7.98 Favored 'General case' 0 N--CA 1.423 -1.809 0 C-N-CA 126.122 1.769 . . . . 0.0 112.079 160.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.0 t -90.85 -38.53 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 CA-C-O 116.285 -1.817 . . . . 0.0 110.563 172.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.2 p -43.39 -39.63 3.3 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-N 123.066 2.666 . . . . 0.0 108.746 161.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -69.66 -22.77 63.42 Favored 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 130.094 3.358 . . . . 0.0 111.587 -169.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.38 2.2 pp -100.39 8.87 8.4 Favored 'Isoleucine or valine' 0 C--N 1.369 1.423 0 N-CA-C 116.622 2.082 . . . . 0.0 116.622 165.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -101.73 -35.17 9.17 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 119.085 2.995 . . . . 0.0 119.085 165.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -68.05 48.58 0.05 Allowed 'General case' 0 N--CA 1.49 1.529 1 C-N-CA 132.719 4.408 . . . . 0.0 112.02 152.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -155.55 -30.64 0.1 Allowed 'General case' 0 C--O 1.177 -2.758 1 O-C-N 131.266 5.354 . . . . 0.0 112.497 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.4 mt -86.38 -109.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 130.634 3.574 . . . . 0.0 109.839 -172.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.81 -32.53 0.01 OUTLIER Glycine 0 C--N 1.387 3.411 1 C-N-CA 131.034 4.159 . . . . 0.0 122.016 171.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -108.29 -174.47 2.53 Favored 'General case' 0 C--N 1.4 2.765 0 C-N-CA 124.236 1.014 . . . . 0.0 113.233 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -107.63 -65.88 1.07 Allowed 'General case' 0 N--CA 1.426 -1.667 0 C-N-CA 127.927 2.491 . . . . 0.0 112.475 -156.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -70.77 -39.17 73.39 Favored 'General case' 0 C--O 1.17 -3.085 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -169.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -25.07 -37.59 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.964 1 C-N-CA 131.944 4.098 . . . . 0.0 118.199 167.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.323 1.5 pt -123.43 -14.68 5.81 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.103 1 C-N-CA 132.814 4.446 . . . . 0.0 112.745 -175.532 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -60.25 -26.01 66.12 Favored 'General case' 0 N--CA 1.494 1.743 1 CA-C-O 111.354 -4.165 . . . . 0.0 108.346 153.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.5 mt -75.5 -48.58 30.11 Favored 'Isoleucine or valine' 0 C--N 1.348 0.527 0 N-CA-C 118.202 2.667 . . . . 0.0 118.202 163.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . 0.275 25.7 mtp -67.26 -40.06 86.18 Favored 'General case' 0 CA--C 1.599 2.848 0 O-C-N 119.793 -1.817 . . . . 0.0 115.201 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.463 ' H ' HD12 ' A' ' 91' ' ' LEU . 0.5 OUTLIER -28.55 -47.6 0.05 Allowed 'General case' 0 CA--C 1.487 -1.443 0 O-C-N 117.141 -3.475 . . . . 0.0 118.683 149.715 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.498 ' C ' ' H ' ' A' ' 36' ' ' SER . 2.1 tm? -81.76 -30.09 32.55 Favored 'General case' 0 C--O 1.198 -1.612 0 C-N-CA 125.187 1.395 . . . . 0.0 113.744 177.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 39' ' ' GLU . 49.8 mt -72.87 -6.59 46.06 Favored 'General case' 0 C--O 1.176 -2.813 0 CA-C-O 123.648 1.69 . . . . 0.0 109.154 177.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.498 ' H ' ' C ' ' A' ' 34' ' ' LEU 0.314 5.7 m -80.47 -15.23 57.24 Favored 'General case' 0 C--N 1.271 -2.844 0 C-N-CA 131.386 3.874 . . . . 0.0 114.586 179.855 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.6 m -138.95 -43.74 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.25 1.087 0 C-N-CA 129.169 2.988 . . . . 0.0 115.349 -167.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.2 m -155.6 78.45 1.0 Allowed 'General case' 0 C--O 1.198 -1.644 0 C-N-CA 126.891 2.076 . . . . 0.0 112.44 -179.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 35' ' ' LEU . 25.3 pt-20 -67.39 146.15 54.33 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 120.315 3.45 . . . . 0.0 120.315 -166.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.38 172.63 13.21 Favored 'General case' 0 N--CA 1.423 -1.824 0 N-CA-C 118.503 2.779 . . . . 0.0 118.503 -170.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.4 t -100.8 155.63 17.81 Favored 'General case' 0 C--O 1.21 -0.994 0 C-N-CA 128.665 2.786 . . . . 0.0 108.854 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.0 t -28.61 -56.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.261 1.665 0 C-N-CA 131.003 3.721 . . . . 0.0 115.146 172.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.22 -40.47 61.17 Favored Glycine 0 N--CA 1.429 -1.785 0 O-C-N 117.912 -2.992 . . . . 0.0 113.705 -176.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -70.92 -41.27 71.42 Favored 'General case' 0 N--CA 1.515 2.792 0 O-C-N 119.145 -2.386 . . . . 0.0 112.927 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.6 mt -50.19 -65.27 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.513 2.678 0 C-N-CA 128.563 2.745 . . . . 0.0 105.374 169.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.8 m -55.02 -13.46 1.14 Allowed 'General case' 0 N--CA 1.502 2.172 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 -171.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -92.68 -55.95 3.19 Favored 'General case' 0 N--CA 1.514 2.726 0 CA-C-O 125.541 2.591 . . . . 0.0 114.669 161.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -64.56 -41.73 96.12 Favored 'General case' 0 N--CA 1.399 -2.986 1 O-C-N 115.693 -4.379 . . . . 0.0 111.811 -171.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mp -96.31 3.86 52.7 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-N 114.369 -1.287 . . . . 0.0 109.729 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 m120 44.34 62.04 2.16 Favored 'General case' 0 C--O 1.265 1.882 0 N-CA-C 116.542 2.053 . . . . 0.0 116.542 -174.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.398 35.9 mt -95.35 -143.0 0.26 Allowed 'General case' 0 C--N 1.384 2.084 0 N-CA-C 117.981 2.586 . . . . 0.0 117.981 173.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 98.3 p -135.78 153.51 51.51 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 118.68 -2.513 . . . . 0.0 110.967 157.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -52.48 -48.53 65.86 Favored 'General case' 0 C--O 1.193 -1.872 0 CA-C-N 118.69 0.677 . . . . 0.0 109.806 171.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.84 -35.43 32.43 Favored 'General case' 0 C--N 1.369 1.448 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 174.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -74.43 -47.89 30.92 Favored 'General case' 0 C--O 1.269 2.088 0 C-N-CA 115.857 -2.337 . . . . 0.0 115.937 170.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.437 ' C ' ' H ' ' A' ' 58' ' ' HIS . 11.3 t -89.25 -26.92 5.35 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.227 0 N-CA-C 114.501 1.296 . . . . 0.0 114.501 -166.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.0 m -69.24 11.19 0.24 Allowed 'General case' 0 N--CA 1.501 2.105 0 CA-C-O 124.837 2.256 . . . . 0.0 112.314 161.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.437 ' H ' ' C ' ' A' ' 56' ' ' VAL . 23.9 t-80 -124.36 -42.79 2.09 Favored 'General case' 0 CA--C 1.553 1.068 1 O-C-N 116.282 -4.011 . . . . 0.0 110.063 179.296 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -92.54 -38.45 11.92 Favored 'General case' 0 N--CA 1.53 3.546 0 N-CA-C 115.697 1.739 . . . . 0.0 115.697 -174.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 tp -56.13 -42.14 76.45 Favored 'General case' 0 C--O 1.197 -1.679 0 CA-C-O 116.047 -1.93 . . . . 0.0 110.549 160.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . 0.306 72.7 tttt -65.14 -40.97 95.14 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 124.922 1.389 . . . . 0.0 114.47 176.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.27 -63.33 1.34 Allowed 'General case' 0 C--O 1.192 -1.921 0 N-CA-C 103.887 -2.635 . . . . 0.0 103.887 175.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.7 mt -58.2 -33.99 69.88 Favored 'General case' 0 CA--C 1.572 1.82 0 CA-C-O 124.527 2.108 . . . . 0.0 113.229 -169.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -65.71 -45.65 81.95 Favored 'General case' 0 N--CA 1.509 2.493 0 CA-C-N 109.552 -3.477 . . . . 0.0 111.943 176.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.2 m -62.37 -11.47 15.73 Favored 'General case' 0 C--O 1.255 1.381 0 C-N-CA 125.983 1.713 . . . . 0.0 113.159 168.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.258 27.0 m -117.73 16.74 7.26 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.415 0 CA-C-N 120.198 1.363 . . . . 0.0 109.208 175.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.302 9.8 p80 47.48 25.23 0.59 Allowed 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 118.329 2.715 . . . . 0.0 118.329 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.3 mp -82.39 -27.25 32.19 Favored 'General case' 0 C--N 1.371 1.526 0 CA-C-O 115.412 -2.233 . . . . 0.0 105.937 160.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.0 t -111.32 161.85 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.254 0 O-C-N 128.1 3.375 . . . . 0.0 110.858 174.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.446 ' HE2' ' HA ' ' A' ' 83' ' ' ASP . 24.1 ttpt -148.06 140.55 24.45 Favored 'General case' 0 C--O 1.266 1.943 1 O-C-N 129.226 4.079 . . . . 0.0 109.152 178.072 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -106.3 162.97 13.21 Favored 'General case' 0 C--N 1.286 -2.18 0 C-N-CA 127.983 2.513 . . . . 0.0 114.174 172.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -140.23 149.47 42.92 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 131.468 3.907 . . . . 0.0 105.293 168.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 . . . . . 0 C--N 1.305 -1.337 0 C-N-CA 126.818 2.047 . . . . 0.0 116.278 163.649 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.382 -3.84 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 48.5 mm -122.87 115.16 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.222 0 CA-C-O 114.745 -2.55 . . . . 0.0 105.822 -171.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -110.1 146.37 35.53 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 123.17 2.714 . . . . 0.0 111.145 -158.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.407 ' HG ' ' CD ' ' A' ' 39' ' ' GLU . 74.4 m -142.42 165.18 28.11 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 128.224 2.61 . . . . 0.0 113.619 -159.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.67 150.38 12.61 Favored 'General case' 0 N--CA 1.443 -0.777 0 O-C-N 119.789 -1.819 . . . . 0.0 112.821 150.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.446 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 27.7 t70 -73.15 -46.0 53.43 Favored 'General case' 0 CA--C 1.567 1.631 0 C-N-CA 118.76 -1.176 . . . . 0.0 113.464 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -160.48 179.47 8.59 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 130.922 3.689 . . . . 0.0 114.207 176.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.5 tp -64.83 -22.99 32.48 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.199 0 O-C-N 120.318 -1.489 . . . . 0.0 112.999 -170.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -73.35 -47.31 43.37 Favored 'General case' 0 N--CA 1.509 2.487 0 O-C-N 124.418 1.074 . . . . 0.0 108.821 -173.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.84 -38.2 36.31 Favored 'Isoleucine or valine' 0 C--O 1.247 0.953 0 CA-C-N 114.446 -1.252 . . . . 0.0 113.717 171.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.77 1.08 3.56 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 117.72 -3.113 . . . . 0.0 112.987 172.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.1 m -100.92 -41.23 6.9 Favored 'General case' 0 C--O 1.194 -1.844 0 CA-C-N 122.095 2.225 . . . . 0.0 108.934 165.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 29.6 ttp -65.28 -38.5 90.46 Favored 'General case' 0 C--O 1.294 3.41 0 C-N-CA 125.428 1.491 . . . . 0.0 111.008 -167.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.463 HD12 ' H ' ' A' ' 33' ' ' GLU . 7.5 tt -74.15 -47.91 32.8 Favored 'General case' 0 N--CA 1.519 3.016 0 O-C-N 117.238 -3.414 . . . . 0.0 107.687 172.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -51.09 -52.18 46.13 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 117.758 -1.577 . . . . 0.0 111.767 175.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -82.86 -3.52 56.95 Favored 'General case' 0 C--O 1.181 -2.513 0 C-N-CA 123.49 0.716 . . . . 0.0 111.598 -168.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -81.17 -47.73 13.05 Favored 'General case' 0 C--N 1.366 1.311 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 153.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -59.26 -18.91 15.04 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.341 0 CA-C-O 126.159 2.885 . . . . 0.0 112.189 178.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -31.68 28.91 Favored 'General case' 0 N--CA 1.514 2.765 0 C-N-CA 127.595 2.358 . . . . 0.0 115.579 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -82.65 -7.5 59.64 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 117.355 2.354 . . . . 0.0 117.355 168.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.31 -51.6 68.84 Favored 'General case' 0 C--O 1.197 -1.685 0 CA-C-O 115.495 -2.193 . . . . 0.0 110.796 -173.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -128.51 156.29 43.5 Favored 'General case' 0 CA--C 1.565 1.552 0 N-CA-C 118.332 2.715 . . . . 0.0 118.332 163.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -125.7 72.36 68.24 Favored Pre-proline 0 CA--C 1.601 2.906 0 CA-C-N 112.916 -1.947 . . . . 0.0 114.712 165.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo . . . . . 0 N--CA 1.509 2.431 0 N-CA-C 108.743 -1.291 . . . . 0.0 108.743 176.515 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.527 ' C ' ' H ' ' B' ' 12' ' ' THR . 12.3 p . . . . . 0 C--O 1.258 1.539 0 N-CA-C 117.533 2.42 . . . . 0.0 117.533 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 54.67 -24.85 0.01 OUTLIER 'General case' 0 CA--C 1.585 2.305 0 CA-C-O 115.766 -2.064 . . . . 0.0 114.827 -164.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.527 ' H ' ' C ' ' B' ' 10' ' ' THR . 40.8 p -122.03 -67.95 0.93 Allowed 'General case' 0 N--CA 1.424 -1.767 0 N-CA-C 105.063 -2.199 . . . . 0.0 105.063 -161.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.442 ' C ' ' H ' ' B' ' 15' ' ' ARG . 0.3 OUTLIER -54.96 -55.08 34.68 Favored 'General case' 1 C--O 1.134 -4.994 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -175.017 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -70.21 9.52 0.57 Allowed 'General case' 0 N--CA 1.515 2.808 0 O-C-N 124.778 1.299 . . . . 0.0 113.343 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.442 ' H ' ' C ' ' B' ' 13' ' ' LEU . 4.2 mmp_? -132.27 -11.49 3.23 Favored 'General case' 0 C--N 1.36 1.043 0 CA-C-O 114.787 -2.53 . . . . 0.0 111.853 175.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . 0.28 2.2 m -81.39 -14.49 12.53 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.664 0 N-CA-C 118.008 2.596 . . . . 0.0 118.008 149.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . 0.262 18.9 p -54.74 -43.36 72.6 Favored 'General case' 0 N--CA 1.516 2.848 0 N-CA-C 104.587 -2.375 . . . . 0.0 104.587 177.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -48.54 -37.88 18.95 Favored 'General case' 0 C--O 1.208 -1.115 0 C-N-CA 126.716 2.006 . . . . 0.0 115.391 168.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 19.3 mt -93.31 -44.19 13.71 Favored 'Isoleucine or valine' 0 C--O 1.267 2.009 0 CA-C-N 121.239 1.836 . . . . 0.0 108.88 -168.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . 0.256 1.5 m-30 -80.68 0.75 33.0 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 126.227 2.204 . . . . 0.0 108.779 -162.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -108.33 -27.43 9.99 Favored 'General case' 0 C--N 1.289 -2.049 0 N-CA-C 116.508 2.04 . . . . 0.0 116.508 155.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . 0.307 . . -69.03 -18.92 64.09 Favored 'General case' 0 N--CA 1.534 3.76 1 O-C-N 116.243 -4.036 . . . . 0.0 114.24 172.51 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 34.7 mt -58.25 -17.63 20.66 Favored 'General case' 0 N--CA 1.512 2.626 0 C-N-CA 126.277 1.831 . . . . 0.0 115.592 162.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.95 25.48 0.09 OUTLIER Glycine 0 N--CA 1.505 3.296 0 C-N-CA 129.852 3.596 . . . . 0.0 117.093 -166.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -145.13 123.99 12.68 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 123.454 3.627 . . . . 0.0 113.706 165.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -44.29 -38.39 3.84 Favored 'General case' 0 N--CA 1.513 2.724 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 171.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -56.65 -47.19 80.31 Favored 'General case' 0 N--CA 1.412 -2.365 0 CA-C-N 121.288 1.858 . . . . 0.0 111.53 171.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -66.15 -15.41 63.1 Favored 'General case' 0 N--CA 1.521 3.076 0 O-C-N 125.651 1.844 . . . . 0.0 109.149 -172.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 20.8 mm -107.28 -42.82 6.4 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.991 0 O-C-N 120.755 -1.216 . . . . 0.0 111.511 -169.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 62.7 ttt-85 -62.31 -23.28 66.65 Favored 'General case' 0 CA--C 1.586 2.35 0 CA-C-N 113.929 -1.487 . . . . 0.0 113.249 168.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 52.1 mt -68.69 -72.03 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.259 1.584 0 O-C-N 127.965 3.291 . . . . 0.0 110.299 162.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 45.4 mtm -65.22 -34.64 78.86 Favored 'General case' 0 C--O 1.192 -1.965 0 CA-C-N 122.253 2.297 . . . . 0.0 113.213 -169.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.406 ' H ' HD11 ' B' ' 91' ' ' LEU . 4.1 tm-20 -33.54 -56.56 0.44 Allowed 'General case' 0 CA--C 1.602 2.954 0 CA-C-N 122.568 2.44 . . . . 0.0 114.818 153.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.39 -44.14 79.62 Favored 'General case' 0 CA--C 1.574 1.89 0 CA-C-O 123.27 1.51 . . . . 0.0 109.545 -177.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.571 ' CD2' ' H ' ' B' ' 40' ' ' ALA . 87.2 mt -66.51 -18.69 65.5 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 127.483 3.516 . . . . 0.0 116.679 -175.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' SER . . . . . 0.412 ' OG ' ' HE3' ' B' ' 92' ' ' LYS . 2.1 p -70.15 -18.75 63.23 Favored 'General case' 0 C--O 1.265 1.913 0 CA-C-N 109.288 -3.597 . . . . 0.0 114.103 169.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 12.3 m -119.49 -32.13 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.572 1.811 0 CA-C-N 121.495 1.952 . . . . 0.0 112.831 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -158.49 127.4 5.53 Favored 'General case' 0 CA--C 1.469 -2.15 0 CA-C-O 125.269 2.462 . . . . 0.0 113.451 154.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -61.99 152.81 31.29 Favored 'General case' 0 CA--C 1.583 2.241 0 O-C-N 116.904 -3.622 . . . . 0.0 112.632 -170.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.571 ' H ' ' CD2' ' B' ' 35' ' ' LEU . . . -160.68 166.05 29.47 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 122.688 2.495 . . . . 0.0 115.458 160.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 38.7 t -92.13 157.88 16.49 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 117.622 2.452 . . . . 0.0 117.622 175.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 59.4 t -24.74 -56.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.506 2.35 0 N-CA-C 117.682 2.475 . . . . 0.0 117.682 175.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.64 -52.89 42.41 Favored Glycine 0 C--O 1.186 -2.892 0 CA-C-O 117.661 -1.633 . . . . 0.0 110.731 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -77.56 -38.88 47.59 Favored 'General case' 0 N--CA 1.421 -1.89 0 N-CA-C 116.528 2.048 . . . . 0.0 116.528 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 66.5 mt -47.01 -49.9 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 CA-C-O 122.219 1.009 . . . . 0.0 108.651 170.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -47.11 -38.68 11.85 Favored 'General case' 0 C--O 1.278 2.596 0 CA-C-O 125.739 2.685 . . . . 0.0 115.017 173.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -79.89 -54.36 5.89 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 119.638 -1.914 . . . . 0.0 108.078 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -61.8 -21.38 64.54 Favored 'General case' 0 N--CA 1.504 2.239 0 C-N-CA 129.139 2.976 . . . . 0.0 116.925 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 7.9 mp -121.05 -0.03 10.1 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 120.879 1.672 . . . . 0.0 113.106 176.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . 0.258 13.0 m120 59.49 55.89 3.94 Favored 'General case' 0 CA--C 1.585 2.301 0 C-N-CA 126.763 2.025 . . . . 0.0 113.978 -171.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 65.4 mt -126.42 176.19 7.32 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.779 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 25.8 p -110.6 146.57 35.89 Favored 'General case' 0 C--O 1.254 1.324 0 O-C-N 120.709 -1.244 . . . . 0.0 112.769 -177.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -58.73 -32.89 69.63 Favored 'General case' 0 N--CA 1.423 -1.807 1 O-C-N 115.755 -4.34 . . . . 0.0 114.033 -174.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 89.9 p -63.34 -36.98 85.5 Favored 'General case' 0 N--CA 1.521 3.107 0 N-CA-C 120.283 3.438 . . . . 0.0 120.283 160.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -83.22 -31.23 27.14 Favored 'General case' 0 N--CA 1.528 3.452 0 O-C-N 120.686 -1.259 . . . . 0.0 112.248 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.469 ' C ' ' H ' ' B' ' 58' ' ' HIS . 95.7 t -74.23 -35.61 40.92 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.572 0 CA-C-O 116.79 -1.576 . . . . 0.0 111.197 170.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 68.0 m -58.16 -1.85 0.15 Allowed 'General case' 0 C--N 1.396 2.593 0 CA-C-N 124.793 3.451 . . . . 0.0 113.21 169.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . 0.469 ' H ' ' C ' ' B' ' 56' ' ' VAL . 55.6 t-80 -112.22 -39.24 4.5 Favored 'General case' 0 C--O 1.264 1.826 0 C-N-CA 126.703 2.001 . . . . 0.0 110.678 175.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -79.14 -50.1 11.55 Favored 'General case' 0 C--O 1.244 0.773 0 O-C-N 120.196 -1.565 . . . . 0.0 107.65 -171.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.7 tp -59.69 -45.27 92.62 Favored 'General case' 0 C--N 1.281 -2.379 0 CA-C-O 115.792 -2.051 . . . . 0.0 110.859 169.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -41.47 85.14 Favored 'General case' 0 C--O 1.204 -1.315 0 CA-C-N 121.612 2.005 . . . . 0.0 109.055 -176.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.412 ' CD1' ' C ' ' B' ' 62' ' ' LEU . 0.8 OUTLIER -60.02 -53.0 62.99 Favored 'General case' 0 C--N 1.282 -2.349 0 CA-C-N 122.044 2.202 . . . . 0.0 111.579 175.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 34.6 mt -58.41 -42.84 88.12 Favored 'General case' 0 N--CA 1.508 2.452 0 CA-C-O 124.983 2.325 . . . . 0.0 107.759 -177.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -56.24 -44.14 79.34 Favored 'General case' 0 CA--C 1.56 1.343 0 CA-C-N 112.965 -1.925 . . . . 0.0 109.99 175.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.6 m -69.85 -27.53 64.92 Favored 'General case' 0 C--O 1.268 2.041 0 CA-C-N 111.827 -2.442 . . . . 0.0 115.964 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 27.5 m -102.59 16.74 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.07 0 O-C-N 121.789 -0.57 . . . . 0.0 111.765 175.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . 0.331 6.2 m80 60.6 14.68 5.11 Favored 'General case' 0 C--O 1.199 -1.577 1 N-CA-C 123.568 4.655 . . . . 0.0 123.568 171.723 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 3.6 mt -77.95 -30.81 50.6 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-O 124.158 1.933 . . . . 0.0 110.171 171.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 t -108.59 155.91 9.37 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.473 0 C-N-CA 127.581 2.352 . . . . 0.0 111.097 173.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -129.68 135.75 48.88 Favored 'General case' 0 N--CA 1.527 3.397 0 C-N-CA 128.456 2.702 . . . . 0.0 109.33 172.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.86 135.0 35.07 Favored 'General case' 0 C--O 1.179 -2.639 0 CA-C-O 122.903 1.335 . . . . 0.0 108.792 149.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 52.8 pttt . . . . . 0 N--CA 1.494 1.769 0 CA-C-O 122.987 1.375 . . . . 0.0 108.664 169.584 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 41.2 mtt . . . . . 0 N--CA 1.41 -2.44 0 N-CA-C 106.549 -1.648 . . . . 0.0 106.549 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 28.3 mm -77.86 145.62 9.62 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.515 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.564 173.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -120.26 137.29 54.31 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 126.993 3.283 . . . . 0.0 108.611 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -138.86 167.89 21.02 Favored 'General case' 0 CA--C 1.569 1.703 0 C-N-CA 127.003 2.121 . . . . 0.0 111.128 -174.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 mp -64.26 148.24 50.63 Favored 'General case' 0 N--CA 1.429 -1.497 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 163.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -52.99 -53.4 50.52 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 116.058 1.873 . . . . 0.0 116.058 166.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 28.4 p30 -154.63 -179.7 8.23 Favored 'General case' 0 C--N 1.365 1.266 0 CA-C-O 125.893 2.758 . . . . 0.0 115.825 156.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.9 pp -54.89 -22.19 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 CA-C-O 113.822 -2.99 . . . . 0.0 114.504 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 57.9 m170 -50.96 -64.91 0.66 Allowed 'General case' 0 C--O 1.274 2.389 0 CA-C-N 123.237 2.744 . . . . 0.0 109.526 178.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 4.3 m -77.45 -16.39 14.35 Favored 'Isoleucine or valine' 0 C--N 1.405 2.985 0 C-N-CA 128.764 2.825 . . . . 0.0 109.421 -176.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.29 -29.52 61.68 Favored 'General case' 0 CA--C 1.591 2.535 1 CA-C-N 126.481 4.218 . . . . 0.0 111.164 162.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 31.1 m -79.66 -42.71 24.22 Favored 'General case' 0 N--CA 1.501 2.1 0 C-N-CA 126.842 2.057 . . . . 0.0 107.95 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . 0.412 3.2 tmm? -56.8 -51.79 67.58 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-O 115.657 -2.116 . . . . 0.0 114.855 163.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.406 HD11 ' H ' ' B' ' 33' ' ' GLU . 7.4 tt -62.7 -39.86 95.35 Favored 'General case' 0 CA--C 1.468 -2.193 0 N-CA-C 117.635 2.457 . . . . 0.0 117.635 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.412 ' HE3' ' OG ' ' B' ' 36' ' ' SER . 52.8 mttt -59.95 -44.25 94.5 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 117.574 -1.203 . . . . 0.0 111.848 177.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -71.71 -20.89 61.85 Favored 'General case' 0 N--CA 1.502 2.136 0 N-CA-C 118.281 2.697 . . . . 0.0 118.281 173.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.94 -50.77 69.52 Favored 'General case' 0 CA--C 1.57 1.729 1 C-N-CA 134.767 5.227 . . . . 0.0 109.866 162.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mm -66.4 -36.3 77.0 Favored 'Isoleucine or valine' 0 N--CA 1.53 3.55 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 174.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -65.4 -38.76 90.93 Favored 'General case' 0 CA--C 1.575 1.919 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -176.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -71.25 -11.61 61.01 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 119.728 -0.789 . . . . 0.0 112.621 177.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -102.26 -29.85 11.44 Favored 'General case' 0 N--CA 1.51 2.571 0 C-N-CA 128.065 2.546 . . . . 0.0 108.728 -175.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -110.52 74.76 0.89 Allowed 'General case' 0 C--N 1.355 0.83 0 C-N-CA 130.928 3.691 . . . . 0.0 112.691 177.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 41.9 m170 . . . . . 0 CA--C 1.579 2.066 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 -177.244 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 . . . . . 0 CA--C 1.474 -1.959 0 CA-C-O 117.418 -1.277 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 62.6 p -148.5 -36.83 0.18 Allowed 'General case' 0 CA--C 1.482 -1.658 0 CA-C-O 111.826 -3.94 . . . . 0.0 115.459 -177.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 56.7 -40.16 0.03 OUTLIER 'General case' 0 C--O 1.265 1.882 0 C-N-CA 130.377 3.471 . . . . 0.0 118.668 -175.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 p -150.04 -18.25 0.25 Allowed 'General case' 0 C--O 1.245 0.838 0 C-N-CA 126.144 1.778 . . . . 0.0 113.236 -171.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . 0.273 1.0 OUTLIER -61.51 -35.79 78.69 Favored 'General case' 0 CA--C 1.583 2.243 0 CA-C-O 125.72 2.676 . . . . 0.0 116.48 -163.903 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -82.5 -18.71 40.63 Favored 'General case' 0 N--CA 1.512 2.655 0 CA-C-N 109.199 -3.637 . . . . 0.0 108.531 -176.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -74.44 -9.7 58.85 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-O 114.874 -2.489 . . . . 0.0 111.583 161.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.481 HG13 ' CZ ' ' A' ' 20' ' ' PHE . 48.5 t -94.06 -33.22 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.314 0 CA-C-N 121.376 1.898 . . . . 0.0 113.334 173.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.432 ' HA ' ' CD2' ' A' ' 20' ' ' PHE . 66.9 p -57.32 -28.98 63.56 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 118.888 -2.383 . . . . 0.0 111.578 158.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -68.39 -11.66 59.96 Favored 'General case' 0 N--CA 1.407 -2.624 0 CA-C-N 122.189 2.268 . . . . 0.0 114.374 173.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.391 0.0 OUTLIER -102.06 -4.36 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.916 0 CA-C-N 120.869 1.668 . . . . 0.0 114.092 161.771 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.481 ' CZ ' HG13 ' A' ' 16' ' ' VAL . 17.4 m-85 -85.68 -36.19 20.41 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 170.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -71.95 60.81 0.4 Allowed 'General case' 0 C--N 1.284 -2.267 0 C-N-CA 131.336 3.855 . . . . 0.0 108.57 160.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -168.69 -14.03 0.02 OUTLIER 'General case' 0 CA--C 1.583 2.224 1 CA-C-N 107.563 -4.38 . . . . 0.0 108.89 174.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 66.2 mt -104.96 -131.83 0.3 Allowed 'General case' 0 C--O 1.265 1.917 1 C-N-CA 132.105 4.162 . . . . 0.0 110.041 -172.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.26 -0.44 53.88 Favored Glycine 1 N--CA 1.539 5.554 0 N-CA-C 119.868 2.707 . . . . 0.0 119.868 164.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -144.92 161.45 39.29 Favored 'General case' 0 C--O 1.174 -2.877 0 C-N-CA 125.379 1.471 . . . . 0.0 107.7 -173.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -81.83 -75.73 0.28 Allowed 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 117.698 -1.144 . . . . 0.0 113.764 -170.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -65.9 -39.09 90.28 Favored 'General case' 0 CA--C 1.578 2.04 0 CA-C-O 114.477 -2.678 . . . . 0.0 110.365 -170.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -22.6 -41.26 0.0 OUTLIER 'General case' 0 CA--C 1.562 1.437 0 C-N-CA 127.671 2.388 . . . . 0.0 115.173 164.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.6 pt -114.58 -11.01 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.248 0 C-N-CA 125.39 1.476 . . . . 0.0 112.925 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.8 ttp85 -71.87 -29.62 64.57 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 127.497 2.319 . . . . 0.0 112.771 163.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.3 mt -58.41 -52.89 53.75 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.095 0 C-N-CA 129.501 3.12 . . . . 0.0 108.289 164.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 70.5 mtm -79.54 -41.06 28.12 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 114.445 -1.252 . . . . 0.0 113.16 -165.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.492 ' H ' HD13 ' A' ' 91' ' ' LEU . 7.9 tm-20 -22.2 -64.82 0.03 OUTLIER 'General case' 0 N--CA 1.532 3.667 0 CA-C-N 120.943 1.701 . . . . 0.0 115.361 144.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.3 -49.65 68.7 Favored 'General case' 0 CA--C 1.607 3.167 0 CA-C-N 118.074 0.397 . . . . 0.0 111.983 177.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.1 mt -50.73 -26.1 5.16 Favored 'General case' 0 C--O 1.188 -2.164 0 O-C-N 117.303 -3.373 . . . . 0.0 109.876 171.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.3 1.4 m -71.84 -0.79 12.1 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 117.717 2.488 . . . . 0.0 117.717 172.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.0 m -130.56 -39.07 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.377 1.798 0 C-N-CA 126.741 2.016 . . . . 0.0 114.644 161.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.02 147.54 47.99 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 116.145 -1.884 . . . . 0.0 109.818 175.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -88.83 125.0 34.71 Favored 'General case' 0 N--CA 1.496 1.829 1 C-N-CA 133.944 4.897 . . . . 0.0 115.023 -178.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -141.37 154.12 45.46 Favored 'General case' 0 CA--C 1.573 1.84 0 C-N-CA 116.534 -2.066 . . . . 0.0 110.49 -175.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.0 t -115.58 159.71 20.93 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 115.089 -2.386 . . . . 0.0 117.115 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.5 t -8.73 -64.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 C-N-CA 128.713 2.805 . . . . 0.0 117.018 173.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.6 -45.75 74.46 Favored Glycine 0 C--N 1.381 3.034 0 C-N-CA 117.56 -2.257 . . . . 0.0 113.909 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -74.41 -31.4 62.31 Favored 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 117.112 2.264 . . . . 0.0 117.112 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.0 mt -57.71 -56.21 16.88 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.615 0 CA-C-N 121.897 2.135 . . . . 0.0 107.138 166.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.2 m -51.79 -27.29 11.8 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 125.18 1.392 . . . . 0.0 113.492 174.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -82.19 -59.3 2.6 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 118.735 -2.478 . . . . 0.0 111.223 167.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -68.34 -34.83 76.8 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 127.069 2.148 . . . . 0.0 112.302 -170.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 mp -100.36 5.03 44.34 Favored 'General case' 0 CA--C 1.582 2.189 0 CA-C-N 124.901 3.5 . . . . 0.0 112.987 176.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.1 m120 48.49 62.42 2.56 Favored 'General case' 0 CA--C 1.58 2.119 0 C-N-CA 129.207 3.003 . . . . 0.0 111.945 -170.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.6 mt -108.85 -152.46 0.49 Allowed 'General case' 0 N--CA 1.502 2.135 0 C-N-CA 126.18 1.792 . . . . 0.0 110.926 -172.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.4 p -146.58 154.15 41.17 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.644 -1.285 . . . . 0.0 112.833 174.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -81.96 -34.92 29.53 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-N 120.796 1.635 . . . . 0.0 114.642 -163.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 p -48.85 -50.99 32.11 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 119.977 -1.702 . . . . 0.0 115.406 160.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -63.8 -50.65 68.16 Favored 'General case' 0 C--O 1.175 -2.846 0 N-CA-C 119.732 3.234 . . . . 0.0 119.732 172.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.6 t -65.86 -36.91 78.65 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.973 0 O-C-N 119.192 -2.193 . . . . 0.0 112.107 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.7 m -60.57 6.88 0.03 OUTLIER 'General case' 0 N--CA 1.515 2.816 0 CA-C-O 114.411 -2.709 . . . . 0.0 112.754 165.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -122.98 -34.94 3.09 Favored 'General case' 0 C--O 1.285 2.958 0 CA-C-N 122.265 2.302 . . . . 0.0 107.893 168.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -86.32 -45.13 11.52 Favored 'General case' 0 CA--C 1.566 1.578 0 CA-C-O 115.426 -2.226 . . . . 0.0 114.373 -175.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.412 HD22 ' CG ' ' A' ' 80' ' ' TYR . 9.5 tp -54.22 -38.11 65.34 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.331 1.453 . . . . 0.0 113.847 166.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -70.44 -52.02 25.16 Favored 'General case' 0 C--O 1.171 -3.053 0 CA-C-O 113.559 -3.115 . . . . 0.0 110.804 171.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -49.96 -54.76 17.84 Favored 'General case' 0 N--CA 1.509 2.488 1 CA-C-N 126.213 4.097 . . . . 0.0 111.188 172.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . 0.267 21.2 mt -65.81 -36.83 84.62 Favored 'General case' 0 N--CA 1.422 -1.825 0 C-N-CA 123.007 0.523 . . . . 0.0 111.724 -170.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -54.52 -54.53 39.94 Favored 'General case' 0 N--CA 1.51 2.527 0 O-C-N 128.909 3.881 . . . . 0.0 112.335 168.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.3 4.96 7.76 Favored 'General case' 0 N--CA 1.504 2.245 0 N-CA-C 118.724 2.861 . . . . 0.0 118.724 173.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.5 m -124.27 18.14 4.63 Favored 'Isoleucine or valine' 0 C--O 1.262 1.723 0 O-C-N 126.734 2.521 . . . . 0.0 115.079 166.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.353 4.0 p80 58.3 25.92 13.33 Favored 'General case' 0 C--N 1.357 0.916 0 CA-C-O 112.683 -3.532 . . . . 0.0 113.436 171.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.0 mp -89.0 -12.98 39.9 Favored 'General case' 0 N--CA 1.418 -2.069 0 CA-C-N 124.362 3.256 . . . . 0.0 112.384 160.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 t -125.65 150.41 30.95 Favored 'Isoleucine or valine' 0 C--O 1.179 -2.638 0 CA-C-N 113.668 -1.605 . . . . 0.0 110.267 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -140.1 128.34 22.49 Favored 'General case' 0 CA--C 1.606 3.124 0 C-N-CA 130.803 3.641 . . . . 0.0 110.187 169.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.06 163.77 23.92 Favored 'General case' 0 CA--C 1.566 1.579 0 CA-C-O 124.694 2.188 . . . . 0.0 108.296 175.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -143.69 125.06 14.69 Favored 'General case' 0 N--CA 1.482 1.153 1 O-C-N 115.115 -4.741 . . . . 0.0 113.192 162.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -75.0 134.15 41.51 Favored 'General case' 0 CA--C 1.474 -1.958 0 C-N-CA 126.684 1.994 . . . . 0.0 108.272 -172.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -132.7 79.89 1.87 Allowed 'General case' 0 CA--C 1.573 1.839 0 C-N-CA 129.816 3.246 . . . . 0.0 107.882 173.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 53.3 -118.65 8.72 Favored Glycine 0 CA--C 1.545 1.946 0 C-N-CA 125.511 1.529 . . . . 0.0 113.499 -167.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -75.3 -7.74 54.77 Favored 'General case' 0 CA--C 1.582 2.177 0 C-N-CA 125.978 1.711 . . . . 0.0 115.159 175.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.3 m -100.87 154.18 18.88 Favored 'General case' 0 CA--C 1.463 -2.377 0 C-N-CA 128.514 2.726 . . . . 0.0 112.87 172.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 14.4 mtt -127.03 125.61 41.7 Favored 'General case' 0 CA--C 1.563 1.47 0 O-C-N 127.611 3.07 . . . . 0.0 106.756 161.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.5 mm -71.85 149.41 9.35 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.267 0 C-N-CA 126.536 1.934 . . . . 0.0 107.608 160.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.412 ' CG ' HD22 ' A' ' 60' ' ' LEU . 2.5 m-85 -134.52 159.71 40.3 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 172.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.2 m -148.19 166.15 28.76 Favored 'General case' 0 C--O 1.267 2.01 0 C-N-CA 127.755 2.422 . . . . 0.0 109.802 -163.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.32 161.12 0.99 Allowed 'General case' 0 C--N 1.38 1.916 0 CA-C-N 120.957 1.708 . . . . 0.0 111.682 151.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -75.41 -48.1 24.42 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 114.53 1.308 . . . . 0.0 114.53 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.426 ' OD1' ' HB2' ' A' ' 86' ' ' HIS . 13.6 p30 -150.43 -175.99 5.31 Favored 'General case' 0 CA--C 1.582 2.186 0 CA-C-O 124.791 2.234 . . . . 0.0 111.707 164.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.2 tp -71.38 -14.0 17.39 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.476 0 C-N-CA 128.031 2.532 . . . . 0.0 108.449 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.426 ' HB2' ' OD1' ' A' ' 84' ' ' ASP . 23.5 m170 -65.11 -58.5 5.89 Favored 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 125.204 1.402 . . . . 0.0 112.165 169.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . 0.277 0.5 OUTLIER -65.83 -40.68 88.33 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.21 0 C-N-CA 126.755 2.022 . . . . 0.0 113.49 176.736 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.48 -29.7 17.32 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 162.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . 0.281 36.6 m -84.89 -34.43 22.58 Favored 'General case' 0 CA--C 1.604 3.044 0 O-C-N 119.157 -2.214 . . . . 0.0 116.395 175.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.1 ttt -53.3 -63.99 0.97 Allowed 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 126.463 2.352 . . . . 0.0 111.943 167.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.492 HD13 ' H ' ' A' ' 33' ' ' GLU 0.265 4.1 tt -68.05 -37.1 80.93 Favored 'General case' 0 CA--C 1.575 1.916 0 CA-C-O 115.304 -2.284 . . . . 0.0 110.523 -171.882 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -73.07 -33.44 65.65 Favored 'General case' 0 N--CA 1.529 3.494 0 CA-C-N 123.428 2.831 . . . . 0.0 109.0 177.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -73.6 -17.24 61.2 Favored 'General case' 0 C--O 1.188 -2.147 0 CA-C-N 122.524 2.42 . . . . 0.0 115.764 172.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.51 ' C ' ' H ' ' A' ' 96' ' ' HIS . . . -79.09 -45.66 19.62 Favored 'General case' 0 CA--C 1.569 1.711 0 CA-C-O 123.695 1.712 . . . . 0.0 108.743 177.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.37 11.75 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 C-N-CA 130.044 3.338 . . . . 0.0 108.785 172.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.51 ' H ' ' C ' ' A' ' 94' ' ' ALA . 2.2 m-70 -120.1 -27.35 5.33 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 116.455 -3.903 . . . . 0.0 114.594 169.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -92.95 -11.86 32.25 Favored 'General case' 0 CA--C 1.496 -1.123 0 O-C-N 119.492 -2.005 . . . . 0.0 111.535 174.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.16 -44.03 97.96 Favored 'General case' 0 CA--C 1.607 3.159 0 CA-C-N 120.026 1.284 . . . . 0.0 111.525 173.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 41.3 p-10 -136.04 155.53 50.08 Favored 'General case' 0 C--O 1.191 -2.013 0 O-C-N 117.667 -3.146 . . . . 0.0 107.727 170.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -132.81 69.69 79.17 Favored Pre-proline 0 C--O 1.19 -2.049 0 C-N-CA 126.357 1.863 . . . . 0.0 113.47 -175.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -92.06 163.83 3.2 Favored 'Trans proline' 0 C--N 1.362 1.273 0 O-C-N 117.945 -1.66 . . . . 0.0 115.805 -170.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -63.35 148.97 46.91 Favored 'General case' 0 C--N 1.397 2.636 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 171.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 CA--C 1.472 -2.021 0 O-C-N 128.481 3.613 . . . . 0.0 110.198 176.924 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 13.3 m120 . . . . . 0 CA--C 1.569 1.707 0 CA-C-O 122.43 1.11 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 30.8 p -147.21 -19.79 0.39 Allowed 'General case' 0 N--CA 1.531 3.603 0 C-N-CA 129.809 3.244 . . . . 0.0 118.776 -169.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 63.77 -53.79 0.23 Allowed 'General case' 0 C--N 1.289 -2.025 1 C-N-CA 133.153 4.581 . . . . 0.0 114.42 -176.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.2 p -95.58 -71.72 0.66 Allowed 'General case' 0 CA--C 1.563 1.477 0 C-N-CA 128.663 2.785 . . . . 0.0 107.293 -155.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -32.87 -56.67 0.38 Allowed 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 128.896 2.878 . . . . 0.0 112.716 168.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -69.61 0.89 4.72 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 126.183 1.793 . . . . 0.0 113.725 -173.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -124.48 -21.57 4.86 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 128.709 2.804 . . . . 0.0 112.613 173.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 17.0 m -95.08 -14.0 8.11 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.467 0 CA-C-N 123.499 2.863 . . . . 0.0 115.031 173.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.3 p -43.79 -45.92 7.49 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 122.495 2.407 . . . . 0.0 112.554 165.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -52.23 -39.45 60.31 Favored 'General case' 0 C--N 1.287 -2.142 0 CA-C-O 115.644 -2.122 . . . . 0.0 112.285 169.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 20.8 mt -72.45 -49.02 44.8 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.667 0 CA-C-O 115.97 -1.967 . . . . 0.0 110.186 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -88.81 -4.89 58.38 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 120.807 1.639 . . . . 0.0 112.064 -153.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 pttm -88.43 -39.7 14.06 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 153.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.22 -15.26 22.9 Favored 'General case' 0 N--CA 1.529 3.525 0 O-C-N 118.667 -2.52 . . . . 0.0 115.012 175.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 54.5 mt -65.59 -24.66 67.13 Favored 'General case' 0 C--N 1.383 2.046 0 CA-C-O 123.534 1.635 . . . . 0.0 111.699 177.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.27 43.63 0.1 OUTLIER Glycine 0 N--CA 1.502 3.058 1 N-CA-C 123.956 4.342 . . . . 0.0 123.956 -161.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -155.04 138.07 15.53 Favored 'General case' 0 C--N 1.359 1.019 1 CA-C-O 129.442 4.449 . . . . 0.0 107.094 167.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -69.84 -26.28 64.14 Favored 'General case' 0 N--CA 1.411 -2.4 0 O-C-N 118.365 -2.709 . . . . 0.0 105.837 -166.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -72.54 -51.02 21.69 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 127.658 2.383 . . . . 0.0 107.73 -173.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -46.56 -51.59 15.24 Favored 'General case' 0 CA--C 1.496 -1.121 0 C-N-CA 128.38 2.672 . . . . 0.0 112.076 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 mm -88.11 -31.45 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 CA-C-N 113.121 -1.854 . . . . 0.0 108.909 -165.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 46.1 ttt-85 -58.31 -26.97 63.66 Favored 'General case' 0 C--N 1.399 2.749 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.694 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 5.9 mt -72.83 -38.18 56.65 Favored 'Isoleucine or valine' 0 C--O 1.288 3.101 0 O-C-N 126.527 2.392 . . . . 0.0 111.942 174.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 62.9 mtm -84.96 -42.1 15.25 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 118.773 2.879 . . . . 0.0 118.773 -178.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -5.01 -70.88 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.73 0 N-CA-C 116.683 2.105 . . . . 0.0 116.683 130.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.78 -53.36 11.77 Favored 'General case' 0 N--CA 1.429 -1.516 0 O-C-N 118.313 -2.742 . . . . 0.0 110.259 -175.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 85.1 mt -47.07 -38.56 11.44 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 116.968 -3.582 . . . . 0.0 113.764 177.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' SER . . . . . 0.465 ' HB3' HD11 ' B' ' 82' ' ' LEU . 3.4 p -63.1 -17.19 62.03 Favored 'General case' 0 C--N 1.276 -2.625 0 C-N-CA 130.679 3.592 . . . . 0.0 114.787 176.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 23.6 m -114.86 -30.63 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 N-CA-C 116.915 2.191 . . . . 0.0 116.915 165.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 49.8 m -159.71 131.36 6.17 Favored 'General case' 0 N--CA 1.392 -3.325 0 C-N-CA 127.887 2.475 . . . . 0.0 112.734 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . 0.269 15.5 mt-10 -84.37 140.82 31.31 Favored 'General case' 0 N--CA 1.514 2.767 0 O-C-N 118.155 -2.841 . . . . 0.0 111.767 -171.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -139.8 154.52 47.39 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-N 110.422 -3.081 . . . . 0.0 111.575 168.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . 0.294 21.9 t -90.77 159.25 16.41 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 116.187 -1.864 . . . . 0.0 111.747 170.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 52.7 t -19.12 -58.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.363 1.194 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 168.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.79 -38.31 76.31 Favored Glycine 0 CA--C 1.553 2.426 0 C-N-CA 117.653 -2.213 . . . . 0.0 117.101 -176.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -72.46 -35.72 68.31 Favored 'General case' 0 C--O 1.162 -3.518 0 O-C-N 118.213 -2.934 . . . . 0.0 112.84 174.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.71 -45.43 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.685 0 C-N-CA 130.004 3.322 . . . . 0.0 103.47 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 65.5 m -59.1 -40.68 86.06 Favored 'General case' 0 N--CA 1.499 1.988 0 CA-C-O 118.047 -0.978 . . . . 0.0 111.358 175.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -70.85 -58.41 3.64 Favored 'General case' 0 N--CA 1.504 2.236 0 N-CA-C 115.841 1.793 . . . . 0.0 115.841 172.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -48.91 -41.28 33.16 Favored 'General case' 0 C--N 1.257 -3.421 0 C-N-CA 126.643 1.977 . . . . 0.0 112.101 173.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 6.1 mp -117.71 7.54 12.55 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.636 -1.29 . . . . 0.0 111.042 -166.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . 0.251 33.9 m120 66.71 30.12 8.3 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 125.749 1.62 . . . . 0.0 114.25 174.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 18.4 mt -106.66 157.82 17.42 Favored 'General case' 0 N--CA 1.531 3.622 0 CA-C-N 121.343 1.883 . . . . 0.0 106.709 -172.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -73.58 144.19 46.11 Favored 'General case' 0 CA--C 1.577 1.995 0 C-N-CA 124.903 1.281 . . . . 0.0 108.797 175.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -67.29 -28.5 68.06 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.577 -0.702 . . . . 0.0 111.469 172.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 74.1 m -67.2 -46.06 75.01 Favored 'General case' 0 N--CA 1.508 2.428 0 CA-C-O 124.399 2.047 . . . . 0.0 110.088 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -64.84 -55.6 18.52 Favored 'General case' 0 CA--C 1.496 -1.106 0 C-N-CA 127.252 2.221 . . . . 0.0 110.478 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.505 ' C ' ' H ' ' B' ' 58' ' ' HIS . 58.7 t -64.04 -35.83 74.85 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 CA-C-N 121.675 2.034 . . . . 0.0 108.131 178.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.1 m -51.37 -5.18 0.03 OUTLIER 'General case' 0 C--O 1.261 1.702 0 CA-C-N 123.419 2.827 . . . . 0.0 115.656 167.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . 0.505 ' H ' ' C ' ' B' ' 56' ' ' VAL . 78.3 t60 -128.55 -33.43 2.09 Favored 'General case' 1 CA--C 1.669 5.556 0 C-N-CA 126.64 1.976 . . . . 0.0 113.277 174.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -66.98 -40.08 87.33 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 121.257 1.844 . . . . 0.0 113.857 168.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.0 tp -66.25 -38.07 87.01 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.409 -0.807 . . . . 0.0 110.119 177.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -72.5 -34.41 67.61 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 126.179 2.895 . . . . 0.0 115.355 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . 0.266 1.5 tm? -63.16 -48.73 77.19 Favored 'General case' 0 CA--C 1.599 2.836 0 O-C-N 118.724 -2.485 . . . . 0.0 111.403 167.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 68.2 mt -59.84 -37.66 79.88 Favored 'General case' 0 C--O 1.264 1.834 0 O-C-N 119.209 -2.182 . . . . 0.0 113.113 -178.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -58.02 -55.6 32.78 Favored 'General case' 0 C--O 1.178 -2.669 0 CA-C-N 110.415 -3.084 . . . . 0.0 108.951 171.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.8 m -64.11 -10.03 20.08 Favored 'General case' 0 CA--C 1.583 2.244 0 C-N-CA 126.536 1.935 . . . . 0.0 115.095 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . 0.256 3.6 m -107.8 6.5 9.61 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.656 0 CA-C-O 123.942 1.83 . . . . 0.0 111.2 163.078 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . 0.266 85.2 m-70 64.4 18.0 11.09 Favored 'General case' 0 C--O 1.264 1.839 0 C-N-CA 126.086 1.754 . . . . 0.0 115.183 166.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 4.5 mp -72.36 -24.02 61.21 Favored 'General case' 0 N--CA 1.53 3.527 0 CA-C-O 118.103 -0.951 . . . . 0.0 109.738 158.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 t -116.58 151.98 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.824 0 CA-C-O 123.233 1.492 . . . . 0.0 108.75 -174.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . 0.311 0.1 OUTLIER -137.92 134.56 35.12 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 112.71 -2.041 . . . . 0.0 115.699 165.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.89 148.42 27.7 Favored 'General case' 0 CA--C 1.582 2.203 0 C-N-CA 126.268 1.827 . . . . 0.0 108.857 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -154.71 144.93 21.94 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 115.929 1.826 . . . . 0.0 115.929 161.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -68.32 149.42 49.44 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-O 117.534 -1.222 . . . . 0.0 109.013 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -161.27 107.44 1.39 Allowed 'General case' 0 C--O 1.26 1.649 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 174.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.3 -86.18 0.14 Allowed Glycine 0 CA--C 1.557 2.709 0 CA-C-O 117.544 -1.698 . . . . 0.0 110.732 168.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -140.05 24.23 2.36 Favored 'General case' 0 CA--C 1.602 2.966 0 CA-C-O 125.265 2.459 . . . . 0.0 115.881 175.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 23.9 p -139.96 -178.21 5.34 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 118.573 -2.579 . . . . 0.0 116.226 159.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 22.4 ttm -106.48 107.1 17.94 Favored 'General case' 0 C--O 1.257 1.456 0 C-N-CA 125.896 1.678 . . . . 0.0 110.039 169.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 31.9 mm -73.31 148.38 8.89 Favored 'Isoleucine or valine' 1 N--CA 1.539 4.003 0 O-C-N 127.593 3.058 . . . . 0.0 107.388 175.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -122.42 150.87 41.88 Favored 'General case' 0 CA--C 1.465 -2.303 0 O-C-N 117.094 -3.504 . . . . 0.0 112.534 168.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 60.6 p -158.85 -179.81 8.4 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 117.967 -2.958 . . . . 0.0 111.372 -166.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.465 HD11 ' HB3' ' B' ' 36' ' ' SER . 21.0 mt -85.47 137.66 32.75 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 117.043 -3.536 . . . . 0.0 110.572 173.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -51.85 -56.04 16.38 Favored 'General case' 0 C--O 1.182 -2.499 0 CA-C-O 114.104 -2.855 . . . . 0.0 115.309 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 18.5 p30 -156.87 173.8 16.45 Favored 'General case' 0 CA--C 1.6 2.884 0 C-N-CA 126.842 2.057 . . . . 0.0 111.587 166.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 2.8 pp -58.36 -16.63 7.92 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.038 0 O-C-N 126.526 2.391 . . . . 0.0 114.76 -171.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -56.2 -68.74 0.18 Allowed 'General case' 0 C--O 1.189 -2.086 0 CA-C-O 125.511 2.577 . . . . 0.0 109.81 -177.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . 0.307 0.9 OUTLIER -76.81 -16.06 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 N-CA-C 119.381 3.104 . . . . 0.0 119.381 -177.145 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.01 -35.41 80.13 Favored 'General case' 0 C--N 1.308 -1.209 0 C-N-CA 124.439 1.095 . . . . 0.0 111.953 162.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 10.4 m -81.49 -31.91 32.68 Favored 'General case' 0 CA--C 1.574 1.883 0 C-N-CA 128.472 2.709 . . . . 0.0 111.25 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' MET . . . . . 0.417 ' C ' ' SD ' ' B' ' 90' ' ' MET . 13.4 tmm? -61.17 -52.7 63.74 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 118.648 -2.532 . . . . 0.0 109.839 169.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 6.8 tt -68.89 -40.25 79.32 Favored 'General case' 0 C--N 1.392 2.438 0 C-N-CA 126.64 1.976 . . . . 0.0 110.467 -174.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -52.51 -40.65 62.65 Favored 'General case' 0 N--CA 1.52 3.068 0 O-C-N 120.197 -1.564 . . . . 0.0 113.917 167.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -84.9 -17.78 36.76 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 -170.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.34 -39.56 74.63 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 167.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 1.3 mp -66.18 -34.26 69.01 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.606 0 C-N-CA 127.668 2.387 . . . . 0.0 108.485 170.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -78.95 -39.34 34.78 Favored 'General case' 0 C--O 1.177 -2.721 0 O-C-N 119.828 -1.795 . . . . 0.0 107.73 -171.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . 0.261 3.7 t60 -62.86 -32.53 73.78 Favored 'General case' 0 N--CA 1.423 -1.803 0 CA-C-O 124.742 2.21 . . . . 0.0 114.334 174.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.27 -9.73 55.91 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 119.353 3.094 . . . . 0.0 119.353 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -131.19 47.73 2.5 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -55.44 128.94 68.8 Favored Pre-proline 0 CA--C 1.564 1.483 0 CA-C-N 120.456 1.48 . . . . 0.0 112.196 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . 0.259 35.4 Cg_exo -77.9 -3.02 13.12 Favored 'Trans proline' 0 N--CA 1.443 -1.448 0 CA-C-O 112.055 -3.394 . . . . 0.0 116.514 173.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -167.83 112.83 0.68 Allowed 'General case' 0 N--CA 1.537 3.888 1 O-C-N 130.987 5.179 . . . . 0.0 110.076 -176.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 . . . . . 0 CA--C 1.498 -1.057 0 CA-C-N 112.539 -2.118 . . . . 0.0 114.795 165.518 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 . . . . . 0 N--CA 1.502 2.166 0 CA-C-O 118.024 -0.988 . . . . 0.0 109.198 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 p -147.03 -19.2 0.4 Allowed 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 118.403 2.742 . . . . 0.0 118.403 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 46.11 -38.76 0.0 OUTLIER 'General case' 0 C--N 1.38 1.924 1 C-N-CA 134.893 5.277 . . . . 0.0 114.666 173.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.4 p -151.12 -20.57 0.21 Allowed 'General case' 0 CA--C 1.593 2.599 0 O-C-N 116.73 -3.731 . . . . 0.0 111.999 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -53.01 -26.59 15.99 Favored 'General case' 0 N--CA 1.525 3.278 1 N-CA-C 122.555 4.28 . . . . 0.0 122.555 -170.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.294 22.9 mt-10 -70.21 -28.18 65.08 Favored 'General case' 0 C--O 1.276 2.498 0 O-C-N 117.459 -3.275 . . . . 0.0 116.391 164.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -72.66 -17.51 61.64 Favored 'General case' 0 N--CA 1.413 -2.299 0 CA-C-O 115.055 -2.402 . . . . 0.0 110.835 171.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.426 HG13 ' CE2' ' A' ' 20' ' ' PHE . 61.2 t -90.43 -46.23 14.86 Favored 'Isoleucine or valine' 0 CA--C 1.471 -2.084 0 C-N-CA 126.779 2.032 . . . . 0.0 113.323 176.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.4 p -56.0 -27.81 54.56 Favored 'General case' 0 N--CA 1.518 2.942 0 CA-C-N 119.492 1.042 . . . . 0.0 111.382 165.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -56.15 -22.51 29.07 Favored 'General case' 0 N--CA 1.506 2.346 1 CA-C-O 111.401 -4.142 . . . . 0.0 114.539 166.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.274 2.6 pp -113.18 26.79 3.23 Favored 'Isoleucine or valine' 0 C--O 1.275 2.429 0 O-C-N 126.38 2.3 . . . . 0.0 113.091 168.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.426 ' CE2' HG13 ' A' ' 16' ' ' VAL 0.307 12.4 m-85 -113.75 -28.66 7.36 Favored 'General case' 0 CA--C 1.585 2.29 0 CA-C-N 123.117 2.689 . . . . 0.0 111.413 167.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -57.17 43.91 0.0 OUTLIER 'General case' 1 CA--C 1.644 4.588 1 C-N-CA 134.792 5.237 . . . . 0.0 110.205 148.909 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -166.17 -8.18 0.02 OUTLIER 'General case' 0 C--O 1.279 2.608 0 C-N-CA 128.734 2.814 . . . . 0.0 107.644 -170.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.7 mt -107.54 -127.76 0.26 Allowed 'General case' 0 C--O 1.262 1.712 0 C-N-CA 128.354 2.662 . . . . 0.0 104.668 -174.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.3 15.52 70.24 Favored Glycine 0 C--N 1.385 3.287 0 CA-C-O 117.898 -1.501 . . . . 0.0 114.68 161.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -149.7 161.86 41.37 Favored 'General case' 0 CA--C 1.585 2.316 0 CA-C-N 121.303 2.551 . . . . 0.0 107.549 -176.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -91.52 -65.74 0.98 Allowed 'General case' 0 C--N 1.353 0.729 0 CA-C-N 125.649 3.841 . . . . 0.0 115.436 -175.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -54.02 -50.91 65.58 Favored 'General case' 0 N--CA 1.413 -2.31 0 CA-C-N 124.644 3.384 . . . . 0.0 109.469 -177.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -12.91 -54.82 0.0 OUTLIER 'General case' 0 C--N 1.394 2.507 0 C-N-CA 131.465 3.906 . . . . 0.0 117.062 160.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.2 pt -98.23 -11.22 8.65 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.856 0 O-C-N 126.97 2.669 . . . . 0.0 114.905 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.7 ttp85 -84.75 -19.86 31.98 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-O 126.197 2.903 . . . . 0.0 110.731 176.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.6 mt -72.95 -34.9 47.43 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.288 0 CA-C-N 111.958 -2.383 . . . . 0.0 108.559 167.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.425 ' CB ' ' CD1' ' A' ' 91' ' ' LEU . 55.3 mtm -90.58 -37.98 13.46 Favored 'General case' 0 C--O 1.199 -1.567 0 O-C-N 118.186 -2.821 . . . . 0.0 115.843 -170.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -30.63 -37.21 0.02 OUTLIER 'General case' 0 N--CA 1.536 3.868 0 C-N-CA 131.533 3.933 . . . . 0.0 112.259 138.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.374 0.5 OUTLIER -87.49 -54.25 4.38 Favored 'General case' 0 C--O 1.253 1.259 0 CA-C-O 113.69 -3.052 . . . . 0.0 113.444 -179.116 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.42 ' CD2' ' H ' ' A' ' 40' ' ' ALA 0.29 26.2 mt -52.58 -19.14 2.11 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-N 122.7 2.5 . . . . 0.0 116.05 170.074 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.254 56.3 m -64.73 -24.25 67.51 Favored 'General case' 0 N--CA 1.433 -1.306 0 C-N-CA 127.009 2.124 . . . . 0.0 114.174 173.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.0 m -123.02 -24.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 N-CA-C 116.246 1.943 . . . . 0.0 116.246 171.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.2 m -144.68 111.19 5.65 Favored 'General case' 0 C--O 1.178 -2.67 0 O-C-N 119.695 -1.878 . . . . 0.0 106.583 -178.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -75.39 114.82 14.37 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 114.735 -2.555 . . . . 0.0 112.523 -172.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.42 ' H ' ' CD2' ' A' ' 35' ' ' LEU . . . -136.55 144.32 44.15 Favored 'General case' 0 N--CA 1.432 -1.334 1 CA-C-N 126.801 4.364 . . . . 0.0 112.552 -167.291 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.9 t -96.22 160.51 14.4 Favored 'General case' 0 CA--C 1.58 2.123 1 O-C-N 114.764 -4.96 . . . . 0.0 112.74 -178.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . 0.252 18.0 t -18.06 -59.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.395 -3.22 0 N-CA-C 121.132 3.753 . . . . 0.0 121.132 171.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.47 -52.52 47.32 Favored Glycine 0 CA--C 1.562 3.007 0 CA-C-O 127.08 3.6 . . . . 0.0 114.926 175.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -77.97 -28.62 49.44 Favored 'General case' 0 CA--C 1.577 1.999 0 CA-C-O 115.09 -2.386 . . . . 0.0 112.143 -170.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 55.9 mt -58.18 -57.3 11.3 Favored 'Isoleucine or valine' 0 C--O 1.262 1.721 0 CA-C-N 120.571 1.532 . . . . 0.0 114.509 159.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.1 m -49.06 -40.49 31.7 Favored 'General case' 0 C--O 1.188 -2.174 0 CA-C-O 124.356 2.027 . . . . 0.0 114.849 172.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -67.01 -55.13 15.73 Favored 'General case' 0 C--N 1.365 1.27 0 O-C-N 117.373 -3.329 . . . . 0.0 114.658 170.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . 0.486 48.9 tt0 -65.47 -28.92 69.56 Favored 'General case' 0 N--CA 1.505 2.287 0 N-CA-C 119.316 3.08 . . . . 0.0 119.316 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mp -119.64 4.77 11.07 Favored 'General case' 0 C--O 1.207 -1.132 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 -174.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.4 m120 58.47 60.09 2.72 Favored 'General case' 0 N--CA 1.423 -1.821 0 O-C-N 117.128 -3.483 . . . . 0.0 112.121 171.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.6 mt -119.45 -132.16 0.31 Allowed 'General case' 0 CA--C 1.6 2.9 0 CA-C-N 111.484 -2.598 . . . . 0.0 110.457 173.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.9 p -158.58 143.46 16.15 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 129.496 3.118 . . . . 0.0 109.783 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -68.12 -43.07 79.22 Favored 'General case' 0 CA--C 1.61 3.282 0 C-N-CA 126.539 1.936 . . . . 0.0 108.699 -171.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.0 p -57.89 -39.22 77.36 Favored 'General case' 1 N--CA 1.555 4.81 0 CA-C-O 122.969 1.366 . . . . 0.0 111.728 177.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -79.7 -45.29 19.24 Favored 'General case' 0 CA--C 1.569 1.709 0 CA-C-N 113.293 -1.776 . . . . 0.0 106.67 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.403 ' C ' ' H ' ' A' ' 58' ' ' HIS . 22.8 t -72.36 -21.49 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 1 O-C-N 115.529 -4.482 . . . . 0.0 117.506 173.025 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.9 m -63.04 6.39 0.11 Allowed 'General case' 0 N--CA 1.437 -1.077 1 O-C-N 112.765 -6.209 . . . . 0.0 115.509 156.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.403 ' H ' ' C ' ' A' ' 56' ' ' VAL . 38.7 t60 -123.91 -32.21 3.3 Favored 'General case' 0 C--O 1.246 0.884 0 C-N-CA 128.039 2.536 . . . . 0.0 113.73 167.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -87.9 -48.46 7.79 Favored 'General case' 0 N--CA 1.531 3.587 0 N-CA-C 106.144 -1.799 . . . . 0.0 106.144 -170.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.5 tp -60.37 -39.35 86.91 Favored 'General case' 0 N--CA 1.42 -1.927 0 O-C-N 125.946 2.029 . . . . 0.0 111.157 173.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -60.59 -46.18 91.2 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 172.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -60.27 -58.61 7.77 Favored 'General case' 0 CA--C 1.604 3.052 0 O-C-N 118.628 -2.545 . . . . 0.0 110.619 174.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 65.4 mt -52.37 -37.12 55.49 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 117.954 -1.499 . . . . 0.0 112.539 -178.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.5 ttpp -51.99 -45.21 64.42 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 125.253 2.454 . . . . 0.0 112.419 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.3 m -72.97 -18.38 61.37 Favored 'General case' 0 N--CA 1.506 2.349 0 C-N-CA 129.985 3.314 . . . . 0.0 119.756 -176.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.314 29.8 m -96.96 2.81 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.258 0 CA-C-N 111.763 -2.471 . . . . 0.0 115.882 169.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.303 11.5 p80 65.37 24.23 12.04 Favored 'General case' 0 C--N 1.372 1.552 0 C-N-CA 130.221 3.408 . . . . 0.0 114.607 172.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.2 mp -81.81 -18.47 43.91 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 124.662 2.172 . . . . 0.0 111.604 168.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 t -128.74 150.52 34.48 Favored 'Isoleucine or valine' 0 C--N 1.376 1.735 0 C-N-CA 128.229 2.612 . . . . 0.0 110.676 -169.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -138.8 135.6 34.79 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 128.85 2.86 . . . . 0.0 116.673 170.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.408 ' HB2' ' CE2' ' A' ' 80' ' ' TYR . . . -84.11 144.2 29.19 Favored 'General case' 0 CA--C 1.582 2.208 0 CA-C-O 125.596 2.617 . . . . 0.0 116.242 165.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.7 tttt -138.85 131.87 29.59 Favored 'General case' 0 N--CA 1.513 2.688 1 O-C-N 115.264 -4.648 . . . . 0.0 110.694 173.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 69.2 ttt-85 -80.76 139.55 36.01 Favored 'General case' 0 CA--C 1.572 1.796 0 C-N-CA 125.791 1.636 . . . . 0.0 113.016 -174.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -130.44 92.23 3.23 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 103.579 -2.748 . . . . 0.0 103.579 157.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 59.08 -124.5 36.87 Favored Glycine 0 C--O 1.295 3.932 0 O-C-N 117.755 -3.091 . . . . 0.0 111.695 172.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -70.1 5.73 1.53 Allowed 'General case' 0 CA--C 1.594 2.654 0 C-N-CA 124.548 1.139 . . . . 0.0 113.355 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.5 m -149.26 154.29 38.82 Favored 'General case' 0 CA--C 1.618 3.559 0 O-C-N 119.447 -2.033 . . . . 0.0 111.391 -159.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.2 mmt -125.8 147.53 49.39 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-N 121.405 1.912 . . . . 0.0 106.183 -172.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.4 mm -112.35 152.74 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 C-N-CA 126.235 1.814 . . . . 0.0 109.703 168.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.408 ' CE2' ' HB2' ' A' ' 71' ' ' ALA . 50.1 m-85 -129.6 146.59 51.39 Favored 'General case' 0 C--O 1.187 -2.232 0 CA-C-O 125.29 2.471 . . . . 0.0 112.786 -176.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.9 m -138.6 168.61 19.42 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 129.161 2.985 . . . . 0.0 109.906 -173.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -65.01 156.05 32.64 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 115.956 -1.973 . . . . 0.0 113.341 161.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -66.38 -48.13 71.15 Favored 'General case' 0 N--CA 1.529 3.502 0 CA-C-N 121.475 1.943 . . . . 0.0 113.276 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -154.45 -177.15 6.26 Favored 'General case' 0 CA--C 1.566 1.568 0 O-C-N 120.493 -1.38 . . . . 0.0 110.621 161.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . 0.276 8.8 tp -62.57 -23.14 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.134 0 C-N-CA 127.093 2.157 . . . . 0.0 113.729 -176.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -65.4 -47.34 76.64 Favored 'General case' 0 C--O 1.187 -2.218 0 CA-C-N 122.554 2.434 . . . . 0.0 113.559 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.75 -49.23 52.58 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.06 0 C-N-CA 128.6 2.76 . . . . 0.0 110.324 172.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -44.39 -49.4 9.67 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 119.566 -1.959 . . . . 0.0 112.19 169.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 59.7 m -69.18 -37.03 77.95 Favored 'General case' 0 N--CA 1.504 2.244 0 CA-C-N 112.907 -1.951 . . . . 0.0 114.123 176.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 36.7 ttp -60.17 -45.84 91.74 Favored 'General case' 0 C--O 1.27 2.169 0 C-N-CA 126.968 2.107 . . . . 0.0 109.396 171.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.425 ' CD1' ' CB ' ' A' ' 32' ' ' MET . 5.4 tt -67.81 -56.41 9.29 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 123.544 2.884 . . . . 0.0 105.584 176.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -54.32 -48.0 71.83 Favored 'General case' 0 C--N 1.264 -3.14 0 O-C-N 125.9 2.0 . . . . 0.0 112.659 -169.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -71.11 -11.62 61.05 Favored 'General case' 0 CA--C 1.578 2.047 0 CA-C-O 122.551 1.167 . . . . 0.0 114.061 175.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.444 ' C ' ' H ' ' A' ' 96' ' ' HIS . . . -85.54 -46.32 10.94 Favored 'General case' 0 C--N 1.379 1.891 0 N-CA-C 106.27 -1.752 . . . . 0.0 106.27 172.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . 0.35 1.1 mp -52.34 -7.43 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.507 2.402 0 C-N-CA 129.319 3.048 . . . . 0.0 113.939 165.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.444 ' H ' ' C ' ' A' ' 94' ' ' ALA . 13.8 m-70 -109.55 -8.18 15.03 Favored 'General case' 0 CA--C 1.583 2.241 0 C-N-CA 130.131 3.372 . . . . 0.0 116.045 173.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -116.85 4.16 12.92 Favored 'General case' 0 CA--C 1.579 2.077 0 CA-C-N 124.168 3.167 . . . . 0.0 112.647 172.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.56 -30.85 71.25 Favored 'General case' 0 CA--C 1.496 -1.096 0 N-CA-C 117.598 2.444 . . . . 0.0 117.598 166.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . 0.251 14.7 p-10 -146.79 164.45 32.77 Favored 'General case' 0 C--O 1.274 2.383 0 C-N-CA 129.701 3.2 . . . . 0.0 109.546 177.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 70.4 m80 -149.03 57.29 2.84 Favored Pre-proline 0 C--O 1.187 -2.219 0 O-C-N 117.417 -3.302 . . . . 0.0 113.593 -172.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -83.18 163.87 15.18 Favored 'Trans proline' 0 C--N 1.385 2.46 0 C-N-CA 124.23 3.287 . . . . 0.0 117.525 -172.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 61.4 tttt -64.29 144.76 56.91 Favored 'General case' 0 N--CA 1.433 -1.32 0 O-C-N 119.207 -2.183 . . . . 0.0 109.554 177.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 C--O 1.27 2.149 1 CA-C-O 111.237 -4.221 . . . . 0.0 110.291 175.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 8.1 m120 . . . . . 0 CA--C 1.481 -1.711 0 CA-C-O 117.561 -1.209 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.8 p -138.68 5.58 2.42 Favored 'General case' 0 N--CA 1.52 3.042 0 CA-C-N 122.859 2.572 . . . . 0.0 114.645 -177.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 49.98 -19.15 0.0 OUTLIER 'General case' 0 N--CA 1.538 3.96 0 N-CA-C 120.204 3.409 . . . . 0.0 120.204 -168.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 77.8 p -140.79 -66.39 0.43 Allowed 'General case' 0 C--N 1.365 1.253 0 O-C-N 117.354 -3.341 . . . . 0.0 108.718 -162.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.452 ' C ' ' H ' ' B' ' 15' ' ' ARG . 0.1 OUTLIER -35.1 -66.15 0.19 Allowed 'General case' 0 CA--C 1.573 1.862 0 O-C-N 127.837 3.211 . . . . 0.0 117.857 167.189 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -65.48 20.42 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.669 0 N-CA-C 118.731 2.863 . . . . 0.0 118.731 -177.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.452 ' H ' ' C ' ' B' ' 13' ' ' LEU . 0.5 OUTLIER -144.49 -15.44 0.56 Allowed 'General case' 0 C--O 1.261 1.688 1 C-N-CA 132.075 4.15 . . . . 0.0 115.639 -177.02 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 5.1 m -85.65 -20.9 7.9 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.13 0 O-C-N 118.045 -2.909 . . . . 0.0 116.725 158.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.6 p -57.69 -28.16 63.56 Favored 'General case' 0 N--CA 1.435 -1.192 0 O-C-N 119.828 -1.795 . . . . 0.0 112.864 172.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -70.19 -33.32 71.58 Favored 'General case' 0 C--O 1.201 -1.456 0 O-C-N 118.423 -2.673 . . . . 0.0 114.339 169.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 25.8 mt -71.2 -63.07 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.407 -2.58 0 O-C-N 123.605 0.565 . . . . 0.0 110.215 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -23.81 66.03 Favored 'General case' 0 N--CA 1.416 -2.126 0 C-N-CA 131.088 3.755 . . . . 0.0 113.168 -161.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -92.56 -26.39 17.92 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 128.27 3.481 . . . . 0.0 113.288 166.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.58 -10.95 59.76 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 124.585 3.357 . . . . 0.0 113.297 174.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 28.0 mt -63.9 -7.97 9.79 Favored 'General case' 0 C--N 1.382 1.987 0 C-N-CA 127.031 2.133 . . . . 0.0 112.088 173.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.3 29.6 1.42 Allowed Glycine 0 CA--C 1.569 3.44 0 C-N-CA 125.376 1.465 . . . . 0.0 115.982 -164.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -142.57 130.52 21.78 Favored 'General case' 0 N--CA 1.513 2.692 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 162.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.5 ' CD1' ' C ' ' B' ' 26' ' ' TYR . 0.6 OUTLIER -69.74 -15.5 63.15 Favored 'General case' 0 CA--C 1.563 1.474 0 C-N-CA 117.143 -1.823 . . . . 0.0 109.677 -166.073 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -75.45 -43.69 48.24 Favored 'General case' 0 C--N 1.378 1.812 1 O-C-N 115.21 -4.681 . . . . 0.0 114.948 175.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -45.74 -31.53 2.04 Favored 'General case' 0 C--N 1.373 1.588 1 O-C-N 129.74 4.4 . . . . 0.0 111.771 163.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 29.9 mm -94.82 -41.93 12.35 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.981 0 CA-C-O 116.579 -1.677 . . . . 0.0 109.395 -173.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -55.62 -29.08 58.56 Favored 'General case' 1 N--CA 1.55 4.573 0 O-C-N 126.529 2.393 . . . . 0.0 115.68 176.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 13.6 mt -59.82 -67.78 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.169 -3.154 0 O-C-N 128.925 3.891 . . . . 0.0 109.695 173.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' MET . . . . . 0.427 ' SD ' ' HB3' ' B' ' 68' ' ' LEU 0.466 0.0 OUTLIER -80.07 -28.12 39.23 Favored 'General case' 0 CA--C 1.568 1.646 0 CA-C-O 115.866 -2.016 . . . . 0.0 114.93 -170.465 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.482 ' H ' HD13 ' B' ' 91' ' ' LEU . 3.6 tm-20 -35.92 -41.63 0.24 Allowed 'General case' 0 CA--C 1.613 3.399 0 CA-C-N 120.136 1.335 . . . . 0.0 114.413 143.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.478 HD12 ' C ' ' B' ' 34' ' ' LEU 0.302 1.7 tm? -83.92 -43.02 15.69 Favored 'General case' 0 N--CA 1.523 3.175 0 CA-C-N 123.855 3.025 . . . . 0.0 111.94 -178.069 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.408 ' CD2' ' H ' ' B' ' 40' ' ' ALA . 17.3 mt -49.17 -27.06 3.23 Favored 'General case' 0 C--N 1.391 2.409 0 N-CA-C 116.231 1.937 . . . . 0.0 116.231 167.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 2.1 p -65.11 -21.49 66.81 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 131.175 3.79 . . . . 0.0 113.231 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 m -122.55 -38.5 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.472 -2.045 0 CA-C-O 116.807 -1.568 . . . . 0.0 112.535 177.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 19.8 m -149.47 145.49 26.93 Favored 'General case' 0 N--CA 1.506 2.363 0 CA-C-O 125.607 2.623 . . . . 0.0 110.5 169.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -83.07 112.75 20.08 Favored 'General case' 0 C--O 1.263 1.768 0 O-C-N 116.81 -3.681 . . . . 0.0 110.39 -167.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.408 ' H ' ' CD2' ' B' ' 35' ' ' LEU 0.279 . . -118.9 138.29 52.87 Favored 'General case' 0 CA--C 1.582 2.176 0 CA-C-N 121.962 2.164 . . . . 0.0 106.907 -177.565 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 13.5 t -75.61 145.41 41.14 Favored 'General case' 0 CA--C 1.46 -2.509 0 C-N-CA 129.706 3.203 . . . . 0.0 113.604 159.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 63.2 t -9.22 -46.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.514 2.761 0 N-CA-C 119.456 3.132 . . . . 0.0 119.456 167.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.92 -49.63 7.54 Favored Glycine 0 C--N 1.343 0.921 0 O-C-N 120.826 -1.171 . . . . 0.0 112.276 -178.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.271 30.5 t-80 -73.56 -22.96 59.92 Favored 'General case' 0 C--N 1.364 1.2 0 CA-C-O 117.785 -1.103 . . . . 0.0 113.145 177.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 65.7 mt -65.72 -52.88 44.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 O-C-N 127.514 3.008 . . . . 0.0 106.088 166.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 49.7 m -56.83 1.65 0.03 OUTLIER 'General case' 0 C--O 1.284 2.872 0 N-CA-C 119.256 3.058 . . . . 0.0 119.256 170.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -113.4 -51.67 2.8 Favored 'General case' 0 C--N 1.38 1.903 0 C-N-CA 127.527 2.331 . . . . 0.0 114.616 172.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . 0.343 80.8 mm-40 -68.63 -27.98 66.5 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 117.955 -2.965 . . . . 0.0 115.202 170.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . 0.277 1.0 OUTLIER -96.64 -13.8 22.58 Favored 'General case' 0 C--O 1.184 -2.369 0 C-N-CA 126.595 1.958 . . . . 0.0 116.069 165.556 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 19.0 m120 49.3 50.36 18.18 Favored 'General case' 1 N--CA 1.553 4.683 0 N-CA-C 117.761 2.504 . . . . 0.0 117.761 -166.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 60.7 mt -92.06 168.05 11.65 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 114.34 -2.743 . . . . 0.0 111.915 163.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 33.6 t -84.43 138.4 32.85 Favored 'General case' 0 N--CA 1.433 -1.324 0 CA-C-N 121.106 1.775 . . . . 0.0 114.492 161.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -61.41 -21.46 64.11 Favored 'General case' 0 CA--C 1.555 1.136 0 O-C-N 127.816 3.197 . . . . 0.0 109.441 -176.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 14.9 m -74.76 -31.29 61.74 Favored 'General case' 0 CA--C 1.608 3.205 0 O-C-N 118.515 -2.615 . . . . 0.0 112.358 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -90.5 -34.27 15.63 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 125.649 1.843 . . . . 0.0 112.786 -175.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 50.6 t -68.28 -30.6 48.33 Favored 'Isoleucine or valine' 0 C--O 1.257 1.492 0 CA-C-O 112.855 -3.45 . . . . 0.0 112.031 169.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 14.9 m -63.83 12.31 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 158.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . 0.412 ' H ' ' H ' ' B' ' 59' ' ' GLN . 8.3 t60 -126.23 -35.34 2.43 Favored 'General case' 0 CA--C 1.59 2.518 0 O-C-N 119.004 -2.31 . . . . 0.0 107.899 173.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.412 ' H ' ' H ' ' B' ' 58' ' ' HIS . 39.1 tt0 -91.64 -43.56 9.55 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-O 115.552 -2.166 . . . . 0.0 111.715 -166.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.1 tp -49.94 -47.3 52.54 Favored 'General case' 1 CA--C 1.638 4.345 0 O-C-N 126.507 2.38 . . . . 0.0 113.556 157.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -71.88 -36.95 70.22 Favored 'General case' 0 CA--C 1.574 1.886 0 O-C-N 119.778 -1.826 . . . . 0.0 112.758 -176.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -49.32 -61.68 1.96 Allowed 'General case' 0 CA--C 1.508 -0.645 0 O-C-N 119.029 -2.295 . . . . 0.0 110.632 158.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 21.3 mt -66.84 -33.01 74.67 Favored 'General case' 0 N--CA 1.513 2.704 0 CA-C-O 123.673 1.702 . . . . 0.0 110.28 -166.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -51.64 -50.05 61.06 Favored 'General case' 0 C--O 1.26 1.638 0 CA-C-N 114.164 -1.38 . . . . 0.0 110.284 164.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.6 m -82.19 5.13 20.81 Favored 'General case' 0 C--O 1.265 1.905 0 C-N-CA 125.997 1.719 . . . . 0.0 115.192 -173.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 14.8 m -127.95 29.09 1.87 Allowed 'Isoleucine or valine' 0 C--O 1.177 -2.756 0 CA-C-O 116.728 -1.606 . . . . 0.0 110.829 161.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 54.83 11.28 0.45 Allowed 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 129.458 3.103 . . . . 0.0 117.979 162.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.427 ' HB3' ' SD ' ' B' ' 32' ' ' MET 0.3 11.6 mt -74.24 -36.1 63.88 Favored 'General case' 0 C--O 1.271 2.19 0 O-C-N 118.594 -2.566 . . . . 0.0 106.88 163.817 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.1 t -104.4 152.0 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 127.616 2.366 . . . . 0.0 115.136 175.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -127.66 156.48 42.27 Favored 'General case' 0 C--N 1.358 0.937 0 O-C-N 125.479 1.737 . . . . 0.0 112.618 157.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . 0.421 ' HB2' ' SD ' ' B' ' 78' ' ' MET . . . -91.19 151.24 21.03 Favored 'General case' 0 CA--C 1.565 1.519 0 CA-C-O 114.272 -2.775 . . . . 0.0 112.186 163.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 32.4 pttt -151.25 158.0 43.32 Favored 'General case' 0 CA--C 1.588 2.431 0 CA-C-N 123.291 2.769 . . . . 0.0 108.768 166.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -104.19 138.28 40.9 Favored 'General case' 0 CA--C 1.501 -0.905 1 CA-C-N 126.145 4.066 . . . . 0.0 108.118 -174.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -144.52 109.07 4.88 Favored 'General case' 0 N--CA 1.4 -2.942 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.18 -98.77 0.21 Allowed Glycine 0 CA--C 1.479 -2.166 0 CA-C-O 124.462 2.145 . . . . 0.0 112.468 172.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -112.29 11.93 20.19 Favored 'General case' 0 N--CA 1.504 2.231 0 C-N-CA 128.417 2.687 . . . . 0.0 116.766 -170.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 77.2 p -161.28 172.36 16.76 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 120.028 -1.67 . . . . 0.0 111.127 168.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.421 ' SD ' ' HB2' ' B' ' 71' ' ' ALA . 4.2 ttt -104.82 119.21 38.47 Favored 'General case' 0 N--CA 1.404 -2.745 0 O-C-N 118.202 -2.812 . . . . 0.0 108.051 175.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 9.8 mm -92.78 155.1 3.14 Favored 'Isoleucine or valine' 0 C--N 1.424 3.808 0 C-N-CA 130.76 3.624 . . . . 0.0 110.759 -173.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -134.43 141.77 46.91 Favored 'General case' 0 C--O 1.219 -0.505 0 O-C-N 118.972 -2.33 . . . . 0.0 111.151 -175.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 6.1 p -137.27 163.07 31.83 Favored 'General case' 0 C--O 1.253 1.259 0 C-N-CA 129.148 2.979 . . . . 0.0 106.39 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 5.0 mt -56.34 129.85 42.17 Favored 'General case' 0 CA--C 1.59 2.49 0 C-N-CA 126.703 2.001 . . . . 0.0 106.759 159.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -49.82 -55.05 15.62 Favored 'General case' 0 CA--C 1.588 2.413 0 O-C-N 119.848 -1.782 . . . . 0.0 114.442 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 27.5 p30 -140.8 -178.85 5.73 Favored 'General case' 0 N--CA 1.512 2.649 0 O-C-N 119.192 -2.192 . . . . 0.0 113.683 161.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.2 pp -61.54 -17.17 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.986 0 C-N-CA 126.717 2.007 . . . . 0.0 111.577 -177.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -66.49 -62.76 1.29 Allowed 'General case' 0 C--O 1.196 -1.743 0 O-C-N 125.91 2.006 . . . . 0.0 107.213 -173.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . 0.434 HG12 ' H ' ' B' ' 87' ' ' VAL . 1.8 m -74.07 -26.37 20.93 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.405 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.622 -175.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.35 -47.27 69.53 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.445 -1.409 . . . . 0.0 109.747 170.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 88.3 m -70.21 -31.38 68.79 Favored 'General case' 0 N--CA 1.432 -1.36 0 CA-C-O 127.2 3.381 . . . . 0.0 112.495 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 11.5 tmm? -66.81 -44.5 81.04 Favored 'General case' 0 CA--C 1.6 2.886 0 O-C-N 117.853 -3.029 . . . . 0.0 110.805 176.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.482 HD13 ' H ' ' B' ' 33' ' ' GLU 0.283 4.5 tt -62.49 -52.47 63.37 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-N 112.699 -2.046 . . . . 0.0 109.358 -178.789 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -54.71 -43.29 72.44 Favored 'General case' 0 CA--C 1.562 1.427 0 C-N-CA 126.768 2.027 . . . . 0.0 111.006 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -76.73 -13.77 60.0 Favored 'General case' 0 N--CA 1.435 -1.2 0 O-C-N 117.395 -3.316 . . . . 0.0 116.159 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.65 -41.59 37.76 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 124.847 1.259 . . . . 0.0 112.166 162.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.29 -35.65 59.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 CA-C-N 123.061 2.664 . . . . 0.0 107.257 168.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.32 -34.62 42.12 Favored 'General case' 0 N--CA 1.504 2.273 0 C-N-CA 128.329 2.652 . . . . 0.0 114.848 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -78.14 -17.6 56.68 Favored 'General case' 0 C--O 1.275 2.418 0 CA-C-N 122.691 2.496 . . . . 0.0 115.015 166.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -80.3 -23.86 40.39 Favored 'General case' 0 N--CA 1.413 -2.295 0 C-N-CA 128.277 2.631 . . . . 0.0 113.631 168.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -134.91 94.56 3.17 Favored 'General case' 0 CA--C 1.567 1.633 1 C-N-CA 131.755 4.022 . . . . 0.0 118.281 173.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 45.2 m170 -88.96 148.82 42.06 Favored Pre-proline 0 N--CA 1.494 1.759 0 CA-C-N 110.088 -3.233 . . . . 0.0 107.025 176.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -70.59 -48.12 0.59 Allowed 'Trans proline' 0 CA--C 1.549 1.245 0 C-N-CA 124.356 3.371 . . . . 0.0 111.284 -176.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -140.42 151.86 45.24 Favored 'General case' 0 CA--C 1.586 2.337 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 CA--C 1.567 1.632 0 N-CA-C 116.95 2.204 . . . . 0.0 116.95 -168.043 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.5 m120 . . . . . 0 N--CA 1.416 -2.151 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.6 p -145.79 -35.23 0.3 Allowed 'General case' 0 C--N 1.282 -2.334 0 CA-C-O 117.549 -1.215 . . . . 0.0 110.156 -174.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.297 1.9 m-20 57.81 -38.58 0.05 OUTLIER 'General case' 0 C--N 1.365 1.272 0 N-CA-C 120.828 3.64 . . . . 0.0 120.828 -171.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 p -164.73 -33.36 0.03 OUTLIER 'General case' 0 N--CA 1.524 3.258 0 CA-C-N 111.764 -2.471 . . . . 0.0 111.089 -165.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.96 -39.7 20.11 Favored 'General case' 1 CA--C 1.633 4.149 0 C-N-CA 127.869 2.468 . . . . 0.0 117.062 -165.3 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -90.7 0.96 57.24 Favored 'General case' 0 CA--C 1.565 1.537 0 N-CA-C 116.18 1.918 . . . . 0.0 116.18 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -82.71 -23.59 34.01 Favored 'General case' 0 N--CA 1.516 2.864 0 C-N-CA 124.643 1.177 . . . . 0.0 111.542 150.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 82.7 t -84.59 -41.17 15.85 Favored 'Isoleucine or valine' 0 C--O 1.254 1.307 0 O-C-N 118.797 -2.439 . . . . 0.0 110.786 -175.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.9 p -53.05 -32.7 48.33 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 166.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -62.5 -17.25 59.27 Favored 'General case' 0 CA--C 1.585 2.312 0 C-N-CA 130.123 3.369 . . . . 0.0 110.222 173.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.33 2.8 pp -106.36 6.98 9.93 Favored 'Isoleucine or valine' 0 C--N 1.383 2.028 0 N-CA-C 115.084 1.512 . . . . 0.0 115.084 165.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -103.79 -28.63 11.52 Favored 'General case' 0 C--N 1.385 2.119 0 O-C-N 118.913 -2.367 . . . . 0.0 110.137 167.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -61.51 54.21 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.076 3 O-C-N 114.184 -5.322 . . . . 0.0 108.882 144.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . 0.338 . . -174.62 -8.86 0.01 OUTLIER 'General case' 1 N--CA 1.542 4.135 0 CA-C-N 110.2 -3.182 . . . . 0.0 110.173 173.764 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 68.8 mt -97.04 -115.24 0.13 Allowed 'General case' 0 C--O 1.269 2.098 0 C-N-CA 124.861 1.264 . . . . 0.0 109.532 174.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.07 -5.01 0.01 OUTLIER Glycine 0 C--N 1.371 2.524 1 N-CA-C 124.231 4.452 . . . . 0.0 124.231 177.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -134.57 164.36 27.66 Favored 'General case' 0 CA--C 1.619 3.607 0 O-C-N 126.522 1.954 . . . . 0.0 109.912 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . 0.377 31.2 t80 -81.85 -78.62 0.19 Allowed 'General case' 0 C--N 1.345 0.398 0 C-N-CA 127.326 2.25 . . . . 0.0 114.201 -167.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -51.78 -53.59 38.11 Favored 'General case' 0 C--O 1.201 -1.496 0 CA-C-O 114.886 -2.483 . . . . 0.0 113.341 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -28.92 -38.56 0.01 OUTLIER 'General case' 0 N--CA 1.531 3.614 0 N-CA-C 119.437 3.125 . . . . 0.0 119.437 168.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -103.29 -13.9 8.55 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.814 0 N-CA-C 119.451 3.13 . . . . 0.0 119.451 169.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 46.0 ttp85 -67.02 -22.13 65.9 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-O 115.946 -1.978 . . . . 0.0 111.976 161.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.3 mp -62.5 -47.03 94.92 Favored 'Isoleucine or valine' 0 C--O 1.174 -2.878 0 O-C-N 125.866 1.979 . . . . 0.0 108.045 162.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.1 mtm -86.2 -44.32 12.28 Favored 'General case' 0 N--CA 1.52 3.036 0 C-N-CA 117.36 -1.736 . . . . 0.0 112.688 -156.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.509 ' H ' HD13 ' A' ' 91' ' ' LEU . 6.9 tm-20 -28.28 -35.94 0.01 OUTLIER 'General case' 0 C--N 1.379 1.891 0 O-C-N 119.324 -2.11 . . . . 0.0 113.986 148.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.433 ' C ' ' H ' ' A' ' 36' ' ' SER . 0.8 OUTLIER -93.55 -45.24 7.83 Favored 'General case' 0 CA--C 1.574 1.865 0 CA-C-N 125.44 3.745 . . . . 0.0 112.976 176.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.9 mt -52.88 -26.16 13.93 Favored 'General case' 0 N--CA 1.526 3.358 0 O-C-N 118.077 -2.89 . . . . 0.0 112.633 171.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.433 ' H ' ' C ' ' A' ' 34' ' ' LEU . 39.4 m -55.93 -16.59 4.94 Favored 'General case' 0 C--O 1.194 -1.846 0 CA-C-N 110.171 -3.195 . . . . 0.0 112.562 173.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.0 m -134.97 -23.62 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.711 0 CA-C-N 122.83 2.559 . . . . 0.0 115.879 -177.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.4 m -156.05 128.03 7.47 Favored 'General case' 0 C--O 1.254 1.3 0 C-N-CA 131.529 3.932 . . . . 0.0 114.375 177.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -96.65 136.59 36.96 Favored 'General case' 0 CA--C 1.605 3.079 0 O-C-N 119.049 -2.282 . . . . 0.0 110.869 -163.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -139.73 143.84 37.21 Favored 'General case' 0 CA--C 1.481 -1.691 0 CA-C-N 113.24 -1.8 . . . . 0.0 112.726 -172.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -89.09 159.66 17.43 Favored 'General case' 0 N--CA 1.513 2.68 0 CA-C-O 121.349 0.595 . . . . 0.0 112.435 170.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.0 t -25.11 -50.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 118.67 2.841 . . . . 0.0 118.67 176.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.16 -35.75 60.59 Favored Glycine 0 CA--C 1.542 1.738 0 O-C-N 119.085 -2.26 . . . . 0.0 112.666 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -79.24 -40.22 31.16 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-N 122.281 3.04 . . . . 0.0 111.332 -177.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.7 mt -50.4 -49.05 24.95 Favored 'Isoleucine or valine' 0 C--N 1.373 1.614 0 O-C-N 118.7 -2.5 . . . . 0.0 109.042 165.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.4 m -65.29 -10.61 33.87 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 119.608 -1.932 . . . . 0.0 115.201 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -91.28 -64.53 1.11 Allowed 'General case' 0 C--N 1.377 1.763 0 N-CA-C 104.371 -2.455 . . . . 0.0 104.371 168.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . 0.266 63.3 tt0 -63.79 -42.69 97.69 Favored 'General case' 0 CA--C 1.615 3.466 0 C-N-CA 130.777 3.631 . . . . 0.0 111.416 -161.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 mp -94.24 5.66 51.07 Favored 'General case' 0 N--CA 1.503 2.203 0 C-N-CA 125.334 1.453 . . . . 0.0 113.315 172.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.9 m120 54.57 53.75 10.25 Favored 'General case' 0 C--O 1.298 3.625 0 N-CA-C 115.953 1.834 . . . . 0.0 115.953 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.2 mt -107.41 -139.2 0.37 Allowed 'General case' 0 C--O 1.269 2.099 0 CA-C-O 121.833 0.825 . . . . 0.0 112.814 -174.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 61.4 p -150.01 138.7 20.8 Favored 'General case' 0 N--CA 1.421 -1.904 0 O-C-N 118.208 -2.808 . . . . 0.0 109.462 170.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.48 -30.08 70.33 Favored 'General case' 0 C--N 1.399 2.747 0 O-C-N 119.096 -2.253 . . . . 0.0 112.117 -172.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.5 m -53.6 -33.79 56.15 Favored 'General case' 0 C--N 1.364 1.216 0 O-C-N 125.863 1.977 . . . . 0.0 115.324 165.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -83.35 -31.73 26.63 Favored 'General case' 0 C--O 1.284 2.891 0 CA-C-N 121.128 1.786 . . . . 0.0 109.438 175.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.643 ' C ' ' H ' ' A' ' 58' ' ' HIS . 23.5 t -92.82 -34.85 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 CA-C-N 121.126 1.784 . . . . 0.0 113.11 -167.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.1 m -54.89 12.27 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 156.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.643 ' H ' ' C ' ' A' ' 56' ' ' VAL . 14.7 t60 -139.07 -38.52 0.5 Allowed 'General case' 0 C--O 1.191 -2.012 0 CA-C-O 117.026 -1.464 . . . . 0.0 110.811 -176.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -88.27 -44.99 10.43 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 125.765 1.626 . . . . 0.0 111.067 177.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.3 tp -53.69 -39.65 65.32 Favored 'General case' 0 CA--C 1.587 2.393 0 O-C-N 119.23 -2.169 . . . . 0.0 116.032 167.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -70.59 -34.23 71.95 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 123.479 1.609 . . . . 0.0 112.335 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.94 -52.01 58.71 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 119.73 -1.856 . . . . 0.0 108.531 175.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . 0.318 15.7 mt -69.23 -30.82 69.05 Favored 'General case' 0 C--O 1.275 2.406 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 -169.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -59.59 -54.12 50.17 Favored 'General case' 0 C--N 1.268 -2.948 0 C-N-CA 128.182 2.593 . . . . 0.0 109.806 173.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.5 m -77.97 1.64 20.11 Favored 'General case' 0 C--O 1.276 2.493 0 O-C-N 116.98 -3.575 . . . . 0.0 113.635 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.323 6.0 m -120.06 19.43 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 CA-C-O 125.794 2.712 . . . . 0.0 113.066 168.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.257 10.9 p80 48.69 39.3 13.34 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 121.351 3.834 . . . . 0.0 121.351 173.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.4 mp -97.75 -23.5 15.89 Favored 'General case' 0 C--O 1.252 1.215 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 163.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.3 t -117.36 151.8 19.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 N-CA-C 104.087 -2.56 . . . . 0.0 104.087 -174.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.84 144.08 37.11 Favored 'General case' 0 C--O 1.274 2.364 0 C-N-CA 125.74 1.616 . . . . 0.0 109.304 172.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -122.86 147.23 46.8 Favored 'General case' 0 C--O 1.271 2.192 1 CA-C-O 128.822 4.153 . . . . 0.0 109.148 -173.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -136.57 137.05 39.81 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 117.315 -3.366 . . . . 0.0 107.0 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 70.5 ttt-85 -85.76 140.08 30.78 Favored 'General case' 0 CA--C 1.559 1.324 0 O-C-N 120.407 -1.433 . . . . 0.0 108.144 -174.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -133.15 74.24 1.56 Allowed 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 128.833 2.853 . . . . 0.0 107.322 167.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.13 -131.72 39.23 Favored Glycine 1 CA--C 1.584 4.392 0 CA-C-O 123.466 1.592 . . . . 0.0 112.379 -175.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -62.08 -13.55 27.65 Favored 'General case' 0 CA--C 1.595 2.687 0 O-C-N 117.104 -3.586 . . . . 0.0 113.984 -172.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 55.0 m -117.38 158.57 24.2 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 125.934 1.693 . . . . 0.0 114.94 177.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 17.9 mmt -116.42 131.43 56.95 Favored 'General case' 0 CA--C 1.474 -1.976 0 C-N-CA 131.455 3.902 . . . . 0.0 107.482 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.8 mm -115.95 139.06 44.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 C-N-CA 130.016 3.326 . . . . 0.0 108.534 -175.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -132.79 150.3 52.17 Favored 'General case' 0 CA--C 1.57 1.721 0 CA-C-O 125.319 2.485 . . . . 0.0 109.859 -159.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.1 m -148.3 176.55 10.16 Favored 'General case' 0 N--CA 1.502 2.132 0 CA-C-N 111.754 -2.475 . . . . 0.0 107.385 -169.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -68.29 155.87 38.87 Favored 'General case' 0 CA--C 1.571 1.753 0 O-C-N 117.493 -3.254 . . . . 0.0 107.333 160.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -63.65 -48.59 76.59 Favored 'General case' 0 C--O 1.268 2.038 0 CA-C-N 113.91 -1.495 . . . . 0.0 110.902 -174.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -158.06 179.14 9.45 Favored 'General case' 0 C--O 1.274 2.375 0 CA-C-O 126.17 2.89 . . . . 0.0 105.847 169.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . 0.281 6.9 tp -55.79 -32.17 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 1 C-N-CA 133.164 4.585 . . . . 0.0 112.162 179.692 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -58.44 -52.49 65.43 Favored 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 130.249 3.419 . . . . 0.0 112.232 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.408 ' HA ' ' SD ' ' A' ' 90' ' ' MET . 1.4 p -76.68 -49.17 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 CA-C-N 113.684 -1.598 . . . . 0.0 112.062 178.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.04 -44.6 31.26 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 116.964 -3.585 . . . . 0.0 109.252 171.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.8 m -64.16 -41.34 97.19 Favored 'General case' 0 N--CA 1.534 3.743 0 O-C-N 116.812 -3.68 . . . . 0.0 114.591 174.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.408 ' SD ' ' HA ' ' A' ' 87' ' ' VAL 0.354 0.2 OUTLIER -53.75 -41.2 66.86 Favored 'General case' 0 CA--C 1.594 2.648 0 C-N-CA 124.463 1.105 . . . . 0.0 113.903 172.351 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.509 HD13 ' H ' ' A' ' 33' ' ' GLU 0.32 4.3 tt -82.3 -53.14 6.27 Favored 'General case' 0 N--CA 1.513 2.714 0 CA-C-O 114.94 -2.457 . . . . 0.0 109.808 176.61 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.8 tttp -45.06 -55.72 5.35 Favored 'General case' 0 CA--C 1.573 1.835 0 CA-C-N 123.182 2.719 . . . . 0.0 116.548 173.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -67.91 -13.44 62.16 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 117.783 2.512 . . . . 0.0 117.783 175.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.435 ' C ' ' H ' ' A' ' 96' ' ' HIS . . . -71.14 -57.77 4.19 Favored 'General case' 0 CA--C 1.485 -1.548 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 159.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -50.29 -2.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.291 3.246 0 CA-C-O 125.536 2.589 . . . . 0.0 117.524 170.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.435 ' H ' ' C ' ' A' ' 94' ' ' ALA . 3.2 m-70 -117.35 -1.35 11.78 Favored 'General case' 0 N--CA 1.422 -1.834 0 O-C-N 118.503 -2.623 . . . . 0.0 115.768 172.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -110.97 -2.07 16.12 Favored 'General case' 0 N--CA 1.523 3.212 0 C-N-CA 117.722 -1.591 . . . . 0.0 111.677 169.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.95 -46.21 75.42 Favored 'General case' 0 N--CA 1.521 3.105 0 O-C-N 116.316 -3.99 . . . . 0.0 112.08 174.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -123.2 160.39 26.66 Favored 'General case' 0 C--N 1.271 -2.819 0 O-C-N 126.222 2.201 . . . . 0.0 112.751 171.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -142.94 61.3 10.4 Favored Pre-proline 0 N--CA 1.491 1.602 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -78.16 172.59 15.2 Favored 'Trans proline' 0 N--CA 1.53 3.671 0 C-N-CA 121.641 1.561 . . . . 0.0 112.492 173.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -75.15 154.48 37.7 Favored 'General case' 0 C--O 1.197 -1.66 1 O-C-N 116.086 -4.133 . . . . 0.0 110.589 177.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 C--O 1.273 2.3 0 CA-C-N 111.53 -2.577 . . . . 0.0 116.516 173.865 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 . . . . . 0 N--CA 1.501 2.114 0 CA-C-O 117.748 -1.12 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.407 ' C ' ' H ' ' B' ' 12' ' ' THR . 14.3 p -126.41 4.84 6.93 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-N 122.697 2.499 . . . . 0.0 112.753 175.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 59.33 -37.87 0.07 Allowed 'General case' 0 C--O 1.257 1.452 0 C-N-CA 130.403 3.481 . . . . 0.0 112.662 175.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.407 ' H ' ' C ' ' B' ' 10' ' ' THR . 78.2 p -114.58 -63.44 1.46 Allowed 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 117.28 2.326 . . . . 0.0 117.28 177.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.418 ' C ' ' H ' ' B' ' 15' ' ' ARG . 0.5 OUTLIER -43.45 -52.69 5.9 Favored 'General case' 0 CA--C 1.48 -1.745 0 N-CA-C 121.651 3.945 . . . . 0.0 121.651 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -62.12 -12.02 17.31 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 126.873 3.225 . . . . 0.0 112.163 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.418 ' H ' ' C ' ' B' ' 13' ' ' LEU . 4.1 mmp_? -116.06 0.51 13.02 Favored 'General case' 0 N--CA 1.439 -1.016 0 O-C-N 117.81 -3.056 . . . . 0.0 113.81 -175.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 4.1 m -114.93 -7.43 12.15 Favored 'Isoleucine or valine' 0 C--N 1.398 2.694 0 CA-C-O 111.863 -3.923 . . . . 0.0 114.383 158.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 9.8 p -61.33 -39.62 91.2 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 122.029 2.195 . . . . 0.0 105.517 167.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -58.8 -30.89 67.95 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 117.22 -3.425 . . . . 0.0 112.363 172.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 5.7 mt -81.24 -58.58 3.6 Favored 'Isoleucine or valine' 0 C--N 1.396 2.617 1 O-C-N 115.928 -4.232 . . . . 0.0 109.264 178.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.407 ' HA ' ' HG ' ' B' ' 23' ' ' LEU . 5.2 m-30 -66.58 -30.89 71.29 Favored 'General case' 0 N--CA 1.427 -1.592 0 O-C-N 118.919 -2.363 . . . . 0.0 114.147 -166.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 pttm -65.59 -46.63 78.65 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 121.086 0.47 . . . . 0.0 110.174 173.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.87 3.85 13.39 Favored 'General case' 0 C--O 1.21 -1.026 0 C-N-CA 128.03 2.532 . . . . 0.0 110.416 -178.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.407 ' HG ' ' HA ' ' B' ' 20' ' ' PHE . 31.8 mt -72.39 6.28 2.42 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-N 123.041 2.655 . . . . 0.0 109.207 159.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.07 23.1 0.57 Allowed Glycine 1 CA--C 1.578 4.008 0 N-CA-C 120.134 2.814 . . . . 0.0 120.134 -168.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -151.55 121.6 7.15 Favored 'General case' 0 CA--C 1.587 2.391 0 CA-C-N 120.927 2.364 . . . . 0.0 107.212 -173.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -55.42 -38.2 68.65 Favored 'General case' 0 CA--C 1.571 1.751 0 C-N-CA 117.673 -1.611 . . . . 0.0 113.725 172.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -63.45 -43.89 96.09 Favored 'General case' 0 C--O 1.24 0.566 1 O-C-N 116.251 -4.031 . . . . 0.0 110.565 -174.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -46.61 -48.35 19.77 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 120.223 1.374 . . . . 0.0 111.056 174.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 40.7 mm -68.88 -39.56 80.08 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 C-N-CA 130.2 3.4 . . . . 0.0 111.892 -173.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -69.35 -31.28 69.62 Favored 'General case' 0 CA--C 1.504 -0.796 0 C-N-CA 130.936 3.695 . . . . 0.0 112.508 -175.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 4.5 mt -60.41 -43.74 94.65 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.863 0 CA-C-N 111.859 -2.428 . . . . 0.0 111.219 170.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 75.4 mtm -89.62 -49.26 6.77 Favored 'General case' 0 C--O 1.252 1.191 0 O-C-N 119.314 -2.116 . . . . 0.0 115.152 -163.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -10.93 -63.28 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.934 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 135.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -71.37 -50.92 27.36 Favored 'General case' 0 C--O 1.206 -1.2 0 N-CA-C 118.364 2.727 . . . . 0.0 118.364 -176.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.31 -32.63 57.02 Favored 'General case' 0 C--O 1.197 -1.659 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 5.0 p -67.98 -2.18 7.11 Favored 'General case' 0 CA--C 1.574 1.899 0 C-N-CA 129.032 2.933 . . . . 0.0 110.729 -172.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . 0.309 3.2 m -128.61 -37.3 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.586 2.36 0 C-N-CA 127.523 2.329 . . . . 0.0 111.954 174.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -156.79 127.59 6.73 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 117.926 -2.984 . . . . 0.0 104.692 162.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -73.45 127.41 32.63 Favored 'General case' 0 CA--C 1.58 2.108 0 N-CA-C 106.873 -1.528 . . . . 0.0 106.873 -165.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.3 143.62 48.25 Favored 'General case' 0 CA--C 1.584 2.254 0 O-C-N 117.57 -3.206 . . . . 0.0 112.07 -178.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 23.0 t -80.36 151.43 29.43 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 127.705 2.402 . . . . 0.0 113.851 162.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 95.4 t -12.68 -66.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.426 0 C-N-CA 125.968 1.707 . . . . 0.0 112.582 155.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.28 -35.26 90.65 Favored Glycine 0 CA--C 1.558 2.73 0 CA-C-O 118.745 -1.03 . . . . 0.0 113.605 -169.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -81.11 -43.6 19.19 Favored 'General case' 0 C--N 1.365 1.278 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 174.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 33.7 mt -49.37 -44.52 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 O-C-N 128.713 3.758 . . . . 0.0 109.509 173.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 73.3 m -45.31 -51.65 10.74 Favored 'General case' 0 C--N 1.342 0.245 0 O-C-N 127.962 3.289 . . . . 0.0 108.559 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -69.57 -55.07 11.16 Favored 'General case' 0 C--N 1.377 1.783 0 N-CA-C 115.332 1.604 . . . . 0.0 115.332 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -70.37 -6.01 32.35 Favored 'General case' 0 N--CA 1.525 3.319 0 CA-C-O 115.351 -2.262 . . . . 0.0 113.984 -175.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 mp -130.8 1.23 4.37 Favored 'General case' 0 CA--C 1.605 3.077 0 O-C-N 125.671 1.857 . . . . 0.0 108.532 -175.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 m120 59.94 51.65 5.8 Favored 'General case' 0 N--CA 1.525 3.307 0 C-N-CA 130.352 3.461 . . . . 0.0 114.479 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 73.0 mt -129.84 153.26 48.45 Favored 'General case' 0 C--O 1.278 2.598 0 N-CA-C 105.127 -2.175 . . . . 0.0 105.127 -168.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 22.9 t -74.76 142.38 44.31 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 123.228 1.489 . . . . 0.0 113.103 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -61.88 -38.56 88.76 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 117.562 -3.211 . . . . 0.0 109.614 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 46.6 m -62.17 -25.67 67.9 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 174.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -79.31 -35.92 40.43 Favored 'General case' 0 C--O 1.191 -1.987 0 C-N-CA 129.906 3.282 . . . . 0.0 110.476 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.599 ' C ' ' H ' ' B' ' 58' ' ' HIS . 17.3 t -83.52 -29.43 7.75 Favored 'Isoleucine or valine' 0 C--N 1.35 0.618 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 177.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 20.3 m -61.99 8.55 0.04 OUTLIER 'General case' 0 N--CA 1.527 3.425 0 C-N-CA 126.285 1.834 . . . . 0.0 112.923 159.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . 0.599 ' H ' ' C ' ' B' ' 56' ' ' VAL . 72.4 t60 -135.74 -33.99 0.84 Allowed 'General case' 0 N--CA 1.416 -2.134 0 C-N-CA 124.702 1.201 . . . . 0.0 110.588 174.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -77.76 -41.21 38.33 Favored 'General case' 0 N--CA 1.439 -0.981 0 O-C-N 117.031 -3.543 . . . . 0.0 106.173 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 tp -67.32 -42.02 84.32 Favored 'General case' 0 C--O 1.205 -1.275 1 O-C-N 114.236 -5.29 . . . . 0.0 106.341 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -70.62 -31.18 68.05 Favored 'General case' 0 CA--C 1.557 1.246 1 O-C-N 115.713 -4.367 . . . . 0.0 110.157 177.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.1 -47.01 72.49 Favored 'General case' 0 C--O 1.248 1.011 0 C-N-CA 119.487 -0.885 . . . . 0.0 112.107 172.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 72.0 mt -61.67 -39.12 90.3 Favored 'General case' 0 C--O 1.185 -2.301 0 N-CA-C 118.854 2.909 . . . . 0.0 118.854 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -53.15 -38.84 63.07 Favored 'General case' 0 N--CA 1.537 3.903 1 CA-C-N 107.375 -4.466 . . . . 0.0 112.839 167.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.7 m -83.28 -8.61 59.42 Favored 'General case' 1 N--CA 1.546 4.337 0 CA-C-N 113.598 -1.637 . . . . 0.0 108.515 -178.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . 0.306 15.9 m -115.55 14.64 7.91 Favored 'Isoleucine or valine' 0 C--N 1.383 2.044 0 C-N-CA 128.573 2.749 . . . . 0.0 114.286 174.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 4.6 m80 66.92 18.71 10.64 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 113.877 -1.51 . . . . 0.0 112.698 162.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 2.9 mp -88.82 -13.57 39.03 Favored 'General case' 0 N--CA 1.517 2.889 0 CA-C-N 119.554 1.07 . . . . 0.0 113.366 169.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.3 t -128.9 143.23 41.85 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.09 0 C-N-CA 128.105 2.562 . . . . 0.0 115.8 -162.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -137.2 147.6 45.95 Favored 'General case' 0 C--O 1.274 2.384 0 CA-C-O 128.166 3.841 . . . . 0.0 113.727 165.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -99.56 152.38 20.1 Favored 'General case' 0 CA--C 1.576 1.953 0 O-C-N 118.386 -2.696 . . . . 0.0 117.237 173.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -162.68 140.98 8.54 Favored 'General case' 0 N--CA 1.53 3.53 0 CA-C-O 124.116 1.913 . . . . 0.0 114.263 172.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -64.16 138.59 58.52 Favored 'General case' 0 C--N 1.289 -2.059 0 O-C-N 116.716 -3.74 . . . . 0.0 113.492 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -154.73 119.5 4.87 Favored 'General case' 0 CA--C 1.6 2.871 0 O-C-N 119.55 -1.969 . . . . 0.0 109.025 167.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.18 -118.59 11.6 Favored Glycine 0 CA--C 1.545 1.957 0 O-C-N 121.541 -0.724 . . . . 0.0 111.87 -172.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -101.45 8.4 42.11 Favored 'General case' 0 N--CA 1.423 -1.823 0 N-CA-C 117.463 2.394 . . . . 0.0 117.463 -172.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 56.5 p -141.01 171.46 14.03 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 114.932 -1.031 . . . . 0.0 112.533 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 36.4 ttm -111.77 100.49 8.98 Favored 'General case' 0 N--CA 1.418 -2.048 0 N-CA-C 101.934 -3.358 . . . . 0.0 101.934 175.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 39.9 mm -55.15 154.62 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.893 0 C-N-CA 127.75 2.42 . . . . 0.0 113.869 166.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -134.61 156.29 48.97 Favored 'General case' 0 CA--C 1.468 -2.197 0 CA-C-O 117.556 -1.211 . . . . 0.0 110.495 173.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . 0.321 15.8 m -150.2 159.53 44.36 Favored 'General case' 0 C--O 1.178 -2.674 0 C-N-CA 130.736 3.614 . . . . 0.0 107.54 -166.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.7 mt -58.79 131.2 50.22 Favored 'General case' 0 C--O 1.213 -0.839 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 160.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -55.22 -48.62 73.63 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 127.572 2.349 . . . . 0.0 110.027 -168.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -154.49 174.58 14.72 Favored 'General case' 0 N--CA 1.422 -1.843 0 O-C-N 119.766 -1.834 . . . . 0.0 112.607 141.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 2.0 pp -65.41 -8.68 6.29 Favored 'Isoleucine or valine' 0 C--O 1.261 1.705 0 C-N-CA 130.566 3.546 . . . . 0.0 115.014 -169.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -51.49 -62.48 1.6 Allowed 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 119.091 -2.256 . . . . 0.0 111.275 164.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 m -82.71 -20.92 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.808 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 -175.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.19 -37.66 64.76 Favored 'General case' 0 C--O 1.184 -2.353 0 C-N-CA 116.981 -1.888 . . . . 0.0 112.079 163.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 73.6 m -64.55 -58.2 7.02 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 130.134 3.374 . . . . 0.0 108.077 178.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 11.8 tmm? -40.62 -53.48 2.74 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.931 -1.73 . . . . 0.0 115.25 170.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 4.7 tt -60.38 -46.5 89.72 Favored 'General case' 0 N--CA 1.415 -2.221 0 O-C-N 125.336 1.648 . . . . 0.0 112.883 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -62.72 -35.89 81.2 Favored 'General case' 0 N--CA 1.425 -1.694 0 CA-C-O 123.026 1.393 . . . . 0.0 113.573 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -85.47 -11.28 54.68 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 119.04 -2.288 . . . . 0.0 115.717 176.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.49 -37.62 56.51 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 125.179 1.549 . . . . 0.0 110.487 177.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 1.7 mp -63.26 -45.12 99.14 Favored 'Isoleucine or valine' 0 C--N 1.375 1.694 0 O-C-N 124.845 1.341 . . . . 0.0 111.264 166.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -45.67 89.24 Favored 'General case' 0 C--N 1.377 1.785 0 CA-C-O 122.399 1.095 . . . . 0.0 109.398 -174.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . 0.28 8.2 t60 -55.14 -28.31 51.84 Favored 'General case' 0 N--CA 1.511 2.619 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 167.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.23 -0.88 57.8 Favored 'General case' 0 C--O 1.273 2.301 1 O-C-N 115.397 -4.564 . . . . 0.0 115.033 174.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -147.37 60.9 1.16 Allowed 'General case' 1 CA--C 1.63 4.055 0 CA-C-N 112.764 -2.016 . . . . 0.0 111.716 -168.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -74.5 121.63 85.68 Favored Pre-proline 0 N--CA 1.496 1.857 0 CA-C-N 113.341 -1.754 . . . . 0.0 113.337 168.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -68.89 -24.89 33.33 Favored 'Trans proline' 0 C--N 1.374 1.877 0 CA-C-O 115.669 -1.888 . . . . 0.0 113.318 -171.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . 0.259 18.7 ptpt -153.65 122.99 6.59 Favored 'General case' 0 C--O 1.255 1.35 0 CA-C-N 122.445 2.384 . . . . 0.0 104.924 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 . . . . . 0 N--CA 1.526 3.339 0 CA-C-O 114.371 -2.728 . . . . 0.0 112.605 -179.842 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.7 m120 . . . . . 0 CA--C 1.491 -1.308 0 CA-C-O 113.602 -3.094 . . . . 0.0 107.118 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.0 p -114.91 -52.03 2.71 Favored 'General case' 0 CA--C 1.564 1.494 0 CA-C-N 123.343 2.792 . . . . 0.0 114.775 -175.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.359 20.1 m-20 72.57 -47.92 0.68 Allowed 'General case' 0 C--O 1.248 1.01 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 176.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.5 p -149.96 -7.01 0.32 Allowed 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 128.009 2.524 . . . . 0.0 113.275 173.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -66.31 -31.24 71.91 Favored 'General case' 0 CA--C 1.582 2.186 0 N-CA-C 117.325 2.343 . . . . 0.0 117.325 -161.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.25 1.8 mt-10 -73.55 -31.75 63.81 Favored 'General case' 0 N--CA 1.476 0.836 1 CA-C-O 111.488 -4.101 . . . . 0.0 112.756 169.144 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -78.4 -10.18 59.59 Favored 'General case' 1 N--CA 1.547 4.411 0 N-CA-C 118.579 2.807 . . . . 0.0 118.579 165.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.1 t -84.35 -45.34 18.0 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.58 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 167.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.258 25.8 p -49.86 -32.53 14.58 Favored 'General case' 0 C--N 1.411 3.26 0 CA-C-N 120.99 1.723 . . . . 0.0 111.883 170.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -70.1 -17.84 63.23 Favored 'General case' 0 C--O 1.2 -1.507 0 CA-C-O 114.139 -2.838 . . . . 0.0 115.693 174.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.328 2.2 pp -101.67 3.78 10.6 Favored 'Isoleucine or valine' 0 C--O 1.267 2.023 0 CA-C-N 121.566 1.985 . . . . 0.0 112.806 166.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -94.62 -32.03 13.59 Favored 'General case' 0 N--CA 1.505 2.296 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 162.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -59.35 63.07 0.0 OUTLIER 'General case' 0 CA--C 1.567 1.626 0 C-N-CA 128.839 2.855 . . . . 0.0 107.165 146.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -176.88 -13.92 0.01 OUTLIER 'General case' 0 N--CA 1.537 3.894 1 C-N-CA 132.612 4.365 . . . . 0.0 113.213 174.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.4 mt -106.98 -122.91 0.24 Allowed 'General case' 0 CA--C 1.58 2.114 0 O-C-N 118.163 -2.835 . . . . 0.0 107.262 -165.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.55 -22.26 0.18 Allowed Glycine 0 CA--C 1.541 1.695 0 C-N-CA 129.693 3.52 . . . . 0.0 119.043 168.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -107.91 177.42 4.82 Favored 'General case' 0 CA--C 1.571 1.782 0 CA-C-O 124.548 2.118 . . . . 0.0 108.718 -167.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -93.76 -92.34 0.18 Allowed 'General case' 0 N--CA 1.515 2.782 0 C-N-CA 127.308 2.243 . . . . 0.0 108.71 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -50.06 -45.78 52.64 Favored 'General case' 0 C--N 1.393 2.49 0 O-C-N 117.671 -3.143 . . . . 0.0 112.859 -170.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -29.15 -49.53 0.08 Allowed 'General case' 0 N--CA 1.535 3.789 0 N-CA-C 118.315 2.709 . . . . 0.0 118.315 172.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.321 6.5 pt -97.99 -10.62 8.78 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.041 0 C-N-CA 128.068 2.547 . . . . 0.0 115.615 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.1 ttp85 -69.52 -22.28 63.6 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 129.598 3.159 . . . . 0.0 110.935 165.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . 0.252 17.0 mt -72.1 -52.12 26.51 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-N 113.89 -1.505 . . . . 0.0 109.503 169.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . 0.295 42.2 mtm -79.91 -36.61 36.15 Favored 'General case' 0 CA--C 1.611 3.292 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 -167.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.429 ' H ' HD13 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -23.6 -44.75 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.746 0 N-CA-C 118.254 2.687 . . . . 0.0 118.254 139.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.409 ' C ' ' H ' ' A' ' 36' ' ' SER 0.315 0.4 OUTLIER -95.45 -33.56 12.42 Favored 'General case' 0 C--O 1.277 2.524 0 CA-C-N 122.416 2.371 . . . . 0.0 111.648 -173.371 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.04 -8.08 14.67 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 119.295 -2.128 . . . . 0.0 115.188 174.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.409 ' H ' ' C ' ' A' ' 34' ' ' LEU . 63.5 m -86.81 -1.1 57.51 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-N 109.258 -3.61 . . . . 0.0 113.479 175.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 35.3 m -138.52 -44.51 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.584 2.275 0 C-N-CA 129.422 3.089 . . . . 0.0 118.914 167.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -142.74 112.5 6.9 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -73.84 125.76 28.89 Favored 'General case' 0 C--O 1.246 0.906 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 -169.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.76 152.54 49.14 Favored 'General case' 0 CA--C 1.597 2.754 0 CA-C-N 121.703 2.047 . . . . 0.0 111.075 -175.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.3 t -88.27 159.94 17.89 Favored 'General case' 0 C--O 1.183 -2.422 0 CA-C-N 111.659 -2.519 . . . . 0.0 116.218 163.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.1 t -10.42 -55.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.474 -1.965 0 CA-C-O 112.8 -3.476 . . . . 0.0 119.427 162.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.96 -42.99 50.78 Favored Glycine 0 CA--C 1.555 2.569 0 CA-C-N 124.787 3.449 . . . . 0.0 117.819 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.402 ' HE2' ' NE2' ' A' ' 48' ' ' GLN . 73.3 t60 -79.87 -36.11 37.14 Favored 'General case' 0 N--CA 1.435 -1.215 0 O-C-N 116.9 -3.706 . . . . 0.0 109.733 177.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.8 mt -48.79 -68.64 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.602 2.945 0 C-N-CA 115.89 -2.324 . . . . 0.0 109.816 170.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.9 m -49.28 -28.31 4.63 Favored 'General case' 0 CA--C 1.475 -1.918 0 CA-C-O 115.104 -2.379 . . . . 0.0 112.331 -175.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -82.4 -58.48 2.91 Favored 'General case' 0 CA--C 1.577 1.993 0 CA-C-N 122.702 2.501 . . . . 0.0 112.094 167.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.402 ' NE2' ' HE2' ' A' ' 44' ' ' HIS . 43.3 tt0 -57.18 -42.97 82.17 Favored 'General case' 0 N--CA 1.52 3.032 0 N-CA-C 117.166 2.284 . . . . 0.0 117.166 -176.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.7 mp -82.77 -20.1 36.52 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 118.903 -2.373 . . . . 0.0 114.456 169.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.9 m120 68.37 53.65 0.58 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 126.731 2.519 . . . . 0.0 115.336 -173.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.1 mt -98.83 -123.99 0.15 Allowed 'General case' 0 C--O 1.266 1.951 0 O-C-N 120.899 -1.126 . . . . 0.0 113.164 173.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.72 139.42 5.36 Favored 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 129.714 3.206 . . . . 0.0 106.75 -174.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -66.54 -38.13 86.46 Favored 'General case' 0 CA--C 1.577 2.017 0 CA-C-O 115.02 -2.419 . . . . 0.0 111.034 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.6 m -58.7 -37.22 75.62 Favored 'General case' 0 C--O 1.2 -1.509 0 CA-C-N 123.131 2.696 . . . . 0.0 113.423 169.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -83.24 -24.24 32.42 Favored 'General case' 0 C--N 1.288 -2.084 0 CA-C-N 120.507 1.503 . . . . 0.0 112.02 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.2 t -94.33 -22.28 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.29 1 O-C-N 113.393 -5.817 . . . . 0.0 109.695 176.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . 0.253 15.7 m -58.72 -0.83 0.12 Allowed 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 118.224 2.675 . . . . 0.0 118.224 152.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 61.3 t-80 -123.65 -51.65 1.82 Allowed 'General case' 0 N--CA 1.502 2.17 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -77.67 -34.56 52.97 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 118.303 -2.748 . . . . 0.0 113.966 -162.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.419 HD22 ' CD1' ' A' ' 80' ' ' TYR 0.29 12.3 tp -61.03 -45.04 96.42 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 117.23 -1.366 . . . . 0.0 109.508 167.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -63.3 -35.99 82.18 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 124.33 1.019 . . . . 0.0 112.217 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -60.56 -59.57 5.19 Favored 'General case' 0 CA--C 1.618 3.596 0 CA-C-N 113.337 -1.756 . . . . 0.0 110.415 174.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 37.7 mt -65.81 -29.03 69.45 Favored 'General case' 0 CA--C 1.489 -1.373 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.804 -167.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -41.38 88.75 Favored 'General case' 0 C--N 1.311 -1.101 0 C-N-CA 127.17 2.188 . . . . 0.0 112.676 175.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.2 m -70.86 -13.12 61.92 Favored 'General case' 0 CA--C 1.581 2.168 0 O-C-N 127.652 3.095 . . . . 0.0 114.116 166.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.419 27.5 m -114.8 19.38 7.2 Favored 'Isoleucine or valine' 0 C--O 1.253 1.271 0 O-C-N 124.218 0.949 . . . . 0.0 113.508 171.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.2 p80 48.67 24.8 0.85 Allowed 'General case' 0 C--N 1.372 1.581 0 C-N-CA 129.979 3.312 . . . . 0.0 114.436 172.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.2 mp -84.83 -23.3 29.12 Favored 'General case' 0 N--CA 1.533 3.711 0 C-N-CA 116.188 -2.205 . . . . 0.0 111.205 160.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.5 t -112.53 155.22 13.84 Favored 'Isoleucine or valine' 0 C--O 1.28 2.671 0 C-N-CA 125.969 1.708 . . . . 0.0 110.007 -179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -138.01 128.17 25.92 Favored 'General case' 0 N--CA 1.415 -2.21 0 C-N-CA 125.509 1.523 . . . . 0.0 107.243 176.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.49 147.62 35.77 Favored 'General case' 0 N--CA 1.521 3.077 0 O-C-N 119.902 -1.749 . . . . 0.0 115.085 163.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -126.28 135.02 51.03 Favored 'General case' 0 N--CA 1.517 2.89 0 C-N-CA 125.569 1.548 . . . . 0.0 111.929 153.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -85.38 136.94 33.25 Favored 'General case' 0 CA--C 1.566 1.594 0 O-C-N 119.845 -1.785 . . . . 0.0 113.552 -178.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -133.0 71.59 1.47 Allowed 'General case' 0 C--O 1.276 2.498 0 N-CA-C 103.854 -2.647 . . . . 0.0 103.854 170.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.87 -97.16 0.41 Allowed Glycine 0 CA--C 1.565 3.183 0 CA-C-N 112.246 -2.252 . . . . 0.0 110.171 175.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -98.83 20.34 13.3 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-N 120.492 2.146 . . . . 0.0 115.933 -169.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.41 136.15 7.27 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 130.035 3.334 . . . . 0.0 109.945 -177.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 73.0 mtm -93.7 134.37 36.09 Favored 'General case' 0 CA--C 1.593 2.616 0 N-CA-C 104.474 -2.417 . . . . 0.0 104.474 168.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.7 mm -90.87 148.94 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.152 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 161.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.419 ' CD1' HD22 ' A' ' 60' ' ' LEU . 70.4 m-85 -137.0 144.15 43.15 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 114.963 -2.446 . . . . 0.0 112.995 -165.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.1 m -140.86 172.43 12.7 Favored 'General case' 0 C--O 1.201 -1.486 0 C-N-CA 131.589 3.956 . . . . 0.0 109.167 -154.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.69 164.35 12.23 Favored 'General case' 0 C--O 1.2 -1.519 0 C-N-CA 119.343 -0.943 . . . . 0.0 110.648 157.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -76.29 -41.85 47.34 Favored 'General case' 0 C--N 1.317 -0.841 0 O-C-N 120.024 -1.672 . . . . 0.0 113.718 174.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.7 p30 -155.77 -173.39 4.51 Favored 'General case' 0 C--O 1.203 -1.366 0 CA-C-O 125.105 2.383 . . . . 0.0 110.037 158.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.0 tp -55.61 -27.98 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.052 0 CA-C-O 114.117 -2.849 . . . . 0.0 116.769 176.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.494 ' CD2' ' CD2' ' B' ' 96' ' ' HIS . 13.1 m80 -59.64 -57.75 11.57 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 126.939 2.649 . . . . 0.0 115.01 169.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -73.56 -34.35 41.85 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.442 0 O-C-N 119.082 -2.261 . . . . 0.0 110.244 -175.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.92 -32.61 66.12 Favored 'General case' 0 CA--C 1.615 3.461 0 CA-C-O 117.449 -1.263 . . . . 0.0 109.935 169.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 86.1 m -83.1 -36.28 24.96 Favored 'General case' 0 C--O 1.173 -2.922 0 CA-C-O 116.127 -1.892 . . . . 0.0 111.887 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 49.0 ttp -50.54 -62.99 1.27 Allowed 'General case' 0 N--CA 1.479 1.023 0 O-C-N 126.638 2.461 . . . . 0.0 110.233 173.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.429 HD13 ' H ' ' A' ' 33' ' ' GLU . 5.1 tt -59.21 -37.4 77.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.306 -1.496 . . . . 0.0 113.305 176.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -70.79 -31.2 67.89 Favored 'General case' 0 CA--C 1.488 -1.43 0 CA-C-O 114.323 -2.751 . . . . 0.0 111.337 -176.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -96.28 2.72 53.11 Favored 'General case' 0 C--N 1.291 -1.965 1 CA-C-N 126.601 4.273 . . . . 0.0 113.986 -178.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.496 ' C ' HG11 ' B' ' 16' ' ' VAL . . . -81.67 -53.33 6.31 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-O 114.127 -2.844 . . . . 0.0 107.663 151.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -61.06 15.34 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 128.645 2.778 . . . . 0.0 115.494 168.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.476 ' H ' ' C ' ' A' ' 94' ' ' ALA . 0.8 OUTLIER -128.99 -13.31 4.58 Favored 'General case' 0 C--O 1.186 -2.278 0 C-N-CA 129.091 2.956 . . . . 0.0 115.286 -179.642 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.527 ' CE1' ' HE1' ' A' ' 100' ' ' HIS . 19.1 t60 -116.3 -7.32 11.78 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 125.478 1.511 . . . . 0.0 113.799 169.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.459 ' HB1' HG13 ' B' ' 16' ' ' VAL . . . -54.44 -31.99 56.62 Favored 'General case' 0 CA--C 1.566 1.589 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 164.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -145.1 151.39 38.42 Favored 'General case' 0 N--CA 1.412 -2.363 0 C-N-CA 125.489 1.516 . . . . 0.0 110.742 174.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.527 ' HE1' ' CE1' ' A' ' 97' ' ' HIS . 17.2 m170 -129.28 53.57 11.91 Favored Pre-proline 0 C--O 1.25 1.129 0 O-C-N 127.127 2.767 . . . . 0.0 111.48 -175.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -70.79 171.68 15.12 Favored 'Trans proline' 0 C--O 1.284 2.779 0 CA-C-O 127.178 2.907 . . . . 0.0 115.24 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -77.92 118.18 19.98 Favored 'General case' 0 C--N 1.375 1.706 0 CA-C-N 112.104 -2.316 . . . . 0.0 111.571 169.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 CA--C 1.572 1.802 0 O-C-N 118.935 -2.353 . . . . 0.0 115.012 -179.668 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 34.9 m120 . . . . . 0 N--CA 1.409 -2.494 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 36.7 p -141.68 6.88 1.86 Allowed 'General case' 0 C--O 1.249 1.038 0 C-N-CA 126.192 1.797 . . . . 0.0 113.04 -166.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 49.51 -42.13 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.56 1 C-N-CA 133.132 4.573 . . . . 0.0 115.725 -165.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 63.4 p -114.56 -52.94 2.69 Favored 'General case' 0 C--O 1.252 1.185 0 O-C-N 125.87 1.981 . . . . 0.0 116.107 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.21 -48.06 24.21 Favored 'General case' 0 N--CA 1.511 2.608 0 O-C-N 117.053 -3.53 . . . . 0.0 120.125 -170.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -66.52 5.11 0.63 Allowed 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 128.195 2.598 . . . . 0.0 115.409 174.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.97 -22.82 2.03 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 113.858 -1.519 . . . . 0.0 108.715 -174.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.496 HG11 ' C ' ' A' ' 94' ' ' ALA . 25.7 m -93.52 -6.22 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.614 0 O-C-N 118.388 -2.695 . . . . 0.0 115.657 165.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 54.3 p -64.03 -29.92 71.03 Favored 'General case' 0 CA--C 1.577 1.988 0 N-CA-C 105.923 -1.88 . . . . 0.0 105.923 167.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -54.01 -39.17 65.87 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 124.726 1.211 . . . . 0.0 113.867 165.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 53.9 mt -86.12 -57.75 4.04 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.193 0 CA-C-O 123.649 1.69 . . . . 0.0 110.74 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -78.74 -12.69 60.03 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 119.527 -1.983 . . . . 0.0 110.447 -156.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.5 pttm -83.08 -36.67 24.7 Favored 'General case' 0 C--O 1.243 0.761 1 O-C-N 116.254 -4.029 . . . . 0.0 114.272 159.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.27 -14.4 62.96 Favored 'General case' 0 C--O 1.207 -1.177 0 CA-C-O 123.803 1.763 . . . . 0.0 115.331 -170.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 22.6 mt -65.55 -11.36 43.15 Favored 'General case' 0 CA--C 1.575 1.93 0 CA-C-N 110.892 -2.867 . . . . 0.0 118.028 -174.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.2 35.76 0.31 Allowed Glycine 0 CA--C 1.559 2.833 0 C-N-CA 130.486 3.898 . . . . 0.0 116.354 -173.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -144.29 127.86 17.06 Favored 'General case' 0 N--CA 1.508 2.471 0 CA-C-N 120.441 2.12 . . . . 0.0 105.472 161.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -29.43 69.43 Favored 'General case' 0 CA--C 1.595 2.682 0 O-C-N 118.991 -2.318 . . . . 0.0 106.86 -177.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -72.04 -41.03 67.96 Favored 'General case' 0 CA--C 1.577 1.982 0 O-C-N 119.216 -2.178 . . . . 0.0 109.499 -172.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -50.57 -35.45 29.99 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 125.486 2.565 . . . . 0.0 114.776 167.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 13.8 mm -91.34 -28.4 4.78 Favored 'Isoleucine or valine' 0 C--O 1.261 1.695 0 CA-C-N 111.85 -2.432 . . . . 0.0 111.008 -169.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . 0.31 11.5 ttt180 -70.32 -33.54 71.63 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 118.75 -2.469 . . . . 0.0 108.374 171.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 26.2 mt -52.93 -47.58 52.84 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.606 0 O-C-N 124.65 1.219 . . . . 0.0 113.868 161.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 75.7 mtm -97.08 -33.52 11.49 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-N 121.699 2.045 . . . . 0.0 112.169 -158.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.548 ' H ' HD13 ' B' ' 91' ' ' LEU . 2.8 tm-20 -34.75 -63.92 0.29 Allowed 'General case' 0 CA--C 1.572 1.804 0 O-C-N 125.33 1.644 . . . . 0.0 112.987 140.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -57.93 -44.47 86.93 Favored 'General case' 0 C--N 1.365 1.258 0 CA-C-N 121.149 1.795 . . . . 0.0 115.356 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.418 HD22 ' H ' ' B' ' 40' ' ' ALA . 79.6 mt -58.92 -33.51 70.66 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-O 126.707 3.146 . . . . 0.0 110.178 -172.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 6.0 p -66.19 -17.86 64.99 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 112.089 -2.323 . . . . 0.0 113.831 -172.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 35.4 m -106.88 -47.85 8.37 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.601 0 O-C-N 127.355 2.91 . . . . 0.0 117.622 165.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 33.1 m -140.47 137.36 33.82 Favored 'General case' 0 CA--C 1.494 -1.197 0 CA-C-N 123.483 2.856 . . . . 0.0 110.981 158.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.99 144.17 53.87 Favored 'General case' 0 C--O 1.293 3.38 0 CA-C-O 117.662 -1.161 . . . . 0.0 111.391 -176.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.418 ' H ' HD22 ' B' ' 35' ' ' LEU . . . -140.54 157.23 45.79 Favored 'General case' 0 CA--C 1.602 2.946 0 CA-C-N 119.994 1.27 . . . . 0.0 108.481 166.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 26.6 t -117.18 156.89 26.9 Favored 'General case' 0 N--CA 1.424 -1.751 0 C-N-CA 125.546 1.539 . . . . 0.0 113.727 169.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 99.5 t -16.86 -56.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.137 1 C-N-CA 132.228 4.211 . . . . 0.0 113.565 -171.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.75 -46.67 7.69 Favored Glycine 0 N--CA 1.494 2.512 0 CA-C-N 122.337 2.335 . . . . 0.0 110.146 -169.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 -55.6 -50.73 69.34 Favored 'General case' 0 CA--C 1.567 1.603 0 CA-C-O 115.856 -2.021 . . . . 0.0 113.075 168.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 55.7 mt -56.07 -47.63 80.11 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 CA-C-N 122.669 2.486 . . . . 0.0 108.791 177.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 72.3 m -56.22 -32.17 64.18 Favored 'General case' 0 CA--C 1.604 3.021 0 O-C-N 118.105 -2.872 . . . . 0.0 115.204 174.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.44 -53.7 7.33 Favored 'General case' 0 CA--C 1.585 2.313 0 C-N-CA 116.528 -2.069 . . . . 0.0 113.153 167.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -57.56 -34.38 69.13 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.24 2.216 . . . . 0.0 114.809 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 6.0 mp -111.48 8.89 21.27 Favored 'General case' 0 C--N 1.269 -2.913 0 C-N-CA 128.666 2.786 . . . . 0.0 113.524 -177.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 35.2 m120 42.24 56.42 3.65 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-O 123.847 1.784 . . . . 0.0 109.64 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 14.7 mt -115.35 168.59 9.84 Favored 'General case' 0 C--N 1.358 0.962 0 O-C-N 118.72 -2.487 . . . . 0.0 105.031 171.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.1 t -68.74 140.14 55.36 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 120.552 3.538 . . . . 0.0 120.552 161.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -60.92 -39.74 90.55 Favored 'General case' 0 C--O 1.211 -0.93 0 C-N-CA 124.661 1.184 . . . . 0.0 110.6 177.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.4 -22.1 66.75 Favored 'General case' 0 C--O 1.254 1.303 0 C-N-CA 125.181 1.392 . . . . 0.0 114.325 170.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . 0.256 14.9 t-20 -76.97 -48.92 16.7 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 126.586 1.955 . . . . 0.0 106.466 177.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.51 ' C ' ' H ' ' B' ' 58' ' ' HIS . 21.2 t -79.43 -25.29 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.969 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -178.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 60.4 m -56.89 -2.57 0.09 Allowed 'General case' 0 N--CA 1.513 2.679 0 O-C-N 118.584 -2.572 . . . . 0.0 113.378 165.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . 0.51 ' H ' ' C ' ' B' ' 56' ' ' VAL . 54.3 t-80 -129.24 -37.91 1.62 Allowed 'General case' 0 N--CA 1.511 2.614 0 O-C-N 120.442 -1.412 . . . . 0.0 112.808 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -79.76 -33.82 40.34 Favored 'General case' 0 C--O 1.208 -1.088 0 O-C-N 128.047 3.342 . . . . 0.0 108.74 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.0 tp -65.63 -31.63 72.76 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 172.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -71.16 -39.53 71.86 Favored 'General case' 0 C--O 1.272 2.246 0 N-CA-C 117.697 2.48 . . . . 0.0 117.697 168.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -55.24 -52.81 62.2 Favored 'General case' 0 CA--C 1.491 -1.32 0 CA-C-O 122.397 1.094 . . . . 0.0 111.787 170.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 19.6 mt -60.03 -37.19 79.05 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 125.809 1.644 . . . . 0.0 113.505 -174.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -59.22 -54.28 48.7 Favored 'General case' 0 C--O 1.206 -1.223 1 CA-C-N 107.947 -4.206 . . . . 0.0 112.574 172.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . 0.266 5.4 m -58.97 -14.34 9.01 Favored 'General case' 0 N--CA 1.518 2.975 0 CA-C-O 114.149 -2.834 . . . . 0.0 112.583 170.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . 0.25 29.5 m -121.81 28.24 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.931 0 CA-C-N 124.749 3.431 . . . . 0.0 110.153 177.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . 0.323 13.8 m170 70.02 -0.64 2.68 Favored 'General case' 0 C--O 1.264 1.841 0 O-C-N 118.201 -2.812 . . . . 0.0 117.698 155.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 3.6 mp -84.32 -16.69 42.08 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-N 124.071 3.123 . . . . 0.0 117.358 165.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 t -117.17 143.24 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 127.82 2.448 . . . . 0.0 111.902 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -127.21 153.47 46.05 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 127.233 2.213 . . . . 0.0 109.522 158.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -101.76 148.35 25.39 Favored 'General case' 0 CA--C 1.564 1.517 0 C-N-CA 129.052 2.941 . . . . 0.0 114.155 162.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 35.8 pttt -139.84 149.27 43.26 Favored 'General case' 0 C--N 1.306 -1.289 0 C-N-CA 126.083 1.753 . . . . 0.0 115.682 173.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -97.23 119.33 35.53 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-O 116.866 -1.54 . . . . 0.0 113.626 178.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 38.5 tp60 -154.67 121.86 5.62 Favored 'General case' 0 N--CA 1.5 2.035 1 C-N-CA 131.8 4.04 . . . . 0.0 108.067 167.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.99 -144.8 30.31 Favored Glycine 0 C--O 1.262 1.868 1 C-N-CA 133.434 5.302 . . . . 0.0 114.718 176.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -77.58 -11.38 59.85 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 116.493 2.034 . . . . 0.0 116.493 -176.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 42.2 p -129.11 -177.33 4.18 Favored 'General case' 0 C--O 1.252 1.206 0 C-N-CA 127.506 2.322 . . . . 0.0 112.134 -177.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 38.0 ttm -109.32 128.6 55.22 Favored 'General case' 0 C--N 1.378 1.829 0 C-N-CA 127.886 2.474 . . . . 0.0 106.048 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 15.9 mm -101.17 145.88 10.58 Favored 'Isoleucine or valine' 0 C--O 1.265 1.874 0 CA-C-N 124.878 3.49 . . . . 0.0 103.877 -174.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -123.1 135.37 54.35 Favored 'General case' 0 CA--C 1.59 2.502 0 O-C-N 116.773 -3.704 . . . . 0.0 110.165 -174.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.18 177.71 4.63 Favored 'General case' 0 CA--C 1.483 -1.607 0 C-N-CA 131.564 3.946 . . . . 0.0 115.66 -174.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 22.7 mt -75.35 142.39 43.18 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 127.922 2.489 . . . . 0.0 104.992 155.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -69.9 -53.3 18.59 Favored 'General case' 0 C--N 1.388 2.251 0 CA-C-N 119.434 1.016 . . . . 0.0 110.917 -174.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . 0.275 3.9 p30 -138.73 171.4 14.4 Favored 'General case' 0 CA--C 1.624 3.804 0 CA-C-O 126.682 3.134 . . . . 0.0 111.358 141.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 2.5 pp -66.4 0.95 0.68 Allowed 'Isoleucine or valine' 0 C--O 1.215 -0.726 0 N-CA-C 117.448 2.388 . . . . 0.0 117.448 175.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -57.55 -58.25 9.11 Favored 'General case' 0 C--N 1.362 1.144 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 161.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 3.4 m -75.15 -23.92 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 120.851 -1.156 . . . . 0.0 111.694 -170.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.58 -37.38 83.63 Favored 'General case' 0 C--O 1.19 -2.039 0 CA-C-O 121.841 0.829 . . . . 0.0 109.871 171.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 61.3 m -73.15 -44.67 59.71 Favored 'General case' 0 C--O 1.259 1.598 0 CA-C-O 114.951 -2.452 . . . . 0.0 109.391 178.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -47.36 -46.47 25.76 Favored 'General case' 0 C--O 1.255 1.369 0 CA-C-N 121.371 1.896 . . . . 0.0 111.565 167.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.548 HD13 ' H ' ' B' ' 33' ' ' GLU . 5.5 tt -75.55 -48.55 21.94 Favored 'General case' 0 N--CA 1.418 -2.072 0 O-C-N 124.138 0.899 . . . . 0.0 111.961 -168.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -52.68 -35.48 55.34 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 115.667 -2.111 . . . . 0.0 115.398 167.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -77.84 -24.12 48.73 Favored 'General case' 0 N--CA 1.511 2.624 0 O-C-N 126.142 2.151 . . . . 0.0 111.061 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.14 -52.46 12.46 Favored 'General case' 0 CA--C 1.598 2.793 0 CA-C-O 114.634 -2.603 . . . . 0.0 109.971 174.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 1.6 mp -44.38 -47.65 2.38 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.875 0 C-N-CA 126.293 1.837 . . . . 0.0 111.201 161.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . 0.494 ' CD2' ' CD2' ' A' ' 86' ' ' HIS . 3.7 t60 -65.44 -49.37 69.41 Favored 'General case' 0 CA--C 1.576 1.943 0 O-C-N 124.116 0.885 . . . . 0.0 113.064 -173.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -64.35 -20.44 66.11 Favored 'General case' 0 CA--C 1.583 2.216 0 CA-C-O 114.474 -2.679 . . . . 0.0 116.652 174.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -95.91 0.96 52.62 Favored 'General case' 0 CA--C 1.571 1.783 0 CA-C-N 121.377 1.898 . . . . 0.0 111.229 174.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -144.56 62.72 1.32 Allowed 'General case' 0 C--O 1.265 1.91 0 O-C-N 119.254 -2.154 . . . . 0.0 110.876 172.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 67.6 m170 -53.75 125.37 46.32 Favored Pre-proline 0 CA--C 1.557 1.214 0 CA-C-O 115.96 -1.971 . . . . 0.0 107.583 172.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -70.48 -2.49 10.78 Favored 'Trans proline' 0 C--O 1.262 1.723 0 CA-C-N 125.737 3.085 . . . . 0.0 119.368 -170.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -149.05 144.8 26.93 Favored 'General case' 0 C--N 1.369 1.444 0 O-C-N 120.442 -1.411 . . . . 0.0 108.393 158.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 . . . . . 0 CA--C 1.582 2.205 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -174.565 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 . . . . . 0 CA--C 1.541 0.63 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.454 ' HB ' ' HB2' ' A' ' 13' ' ' LEU . 3.0 p -142.44 -33.43 0.47 Allowed 'General case' 0 N--CA 1.5 2.038 0 CA-C-O 113.275 -3.25 . . . . 0.0 112.212 175.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.298 11.9 m-20 60.13 -49.37 0.09 Allowed 'General case' 0 C--N 1.382 2.018 0 O-C-N 128.22 3.45 . . . . 0.0 118.135 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.9 p -127.6 -20.71 3.91 Favored 'General case' 0 N--CA 1.425 -1.696 0 O-C-N 118.582 -2.574 . . . . 0.0 109.006 170.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.454 ' HB2' ' HB ' ' A' ' 10' ' ' THR . 2.4 mm? -56.41 -33.08 65.45 Favored 'General case' 0 C--O 1.18 -2.561 0 C-N-CA 129.869 3.268 . . . . 0.0 116.207 -162.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -71.53 -28.09 63.64 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 105.531 -2.026 . . . . 0.0 105.531 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -84.72 -5.29 59.31 Favored 'General case' 0 C--O 1.209 -1.049 0 CA-C-O 121.908 0.861 . . . . 0.0 112.246 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.477 HG12 ' CZ ' ' A' ' 20' ' ' PHE . 11.3 t -100.01 -38.63 6.74 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.317 0 C-N-CA 127.054 2.142 . . . . 0.0 107.773 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.7 p -72.26 -14.9 61.89 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 119.072 -2.267 . . . . 0.0 106.272 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -64.78 -35.99 82.88 Favored 'General case' 0 N--CA 1.514 2.738 0 N-CA-C 104.829 -2.285 . . . . 0.0 104.829 169.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.388 2.1 pp -102.93 21.46 2.59 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 CA-C-O 113.35 -3.214 . . . . 0.0 112.426 -177.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.477 ' CZ ' HG12 ' A' ' 16' ' ' VAL . 8.3 m-85 -107.93 -27.69 10.04 Favored 'General case' 0 CA--C 1.564 1.491 0 CA-C-N 122.864 2.575 . . . . 0.0 112.415 161.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -77.91 69.65 4.17 Favored 'General case' 0 C--O 1.274 2.377 0 CA-C-O 127.801 3.667 . . . . 0.0 107.727 161.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -169.67 -42.21 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 110.829 -2.896 . . . . 0.0 109.682 -174.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.3 mt -75.47 -128.48 0.01 OUTLIER 'General case' 0 CA--C 1.58 2.134 0 C-N-CA 129.662 3.185 . . . . 0.0 108.472 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.46 7.35 7.39 Favored Glycine 2 N--CA 1.529 4.893 0 N-CA-C 121.854 3.502 . . . . 0.0 121.854 169.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . 0.362 49.9 t0 -137.89 160.64 38.76 Favored 'General case' 0 N--CA 1.503 2.189 0 C-N-CA 126.393 1.877 . . . . 0.0 108.992 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -86.32 -68.65 0.72 Allowed 'General case' 0 C--O 1.28 2.708 0 CA-C-O 126.738 3.161 . . . . 0.0 117.358 -171.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -56.57 -51.71 67.58 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 117.133 -3.48 . . . . 0.0 107.345 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -27.02 -35.7 0.01 OUTLIER 'General case' 0 C--O 1.195 -1.8 0 N-CA-C 118.614 2.82 . . . . 0.0 118.614 171.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.265 2.3 pt -111.53 -21.2 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.637 0 CA-C-O 113.945 -2.931 . . . . 0.0 113.693 173.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.9 ttp85 -57.52 -16.73 10.7 Favored 'General case' 0 N--CA 1.519 2.989 0 O-C-N 125.456 1.722 . . . . 0.0 111.768 162.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.6 mt -84.86 -34.46 9.1 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.899 0 O-C-N 120.022 -1.674 . . . . 0.0 112.28 176.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.1 mtm -84.21 -34.13 23.99 Favored 'General case' 0 CA--C 1.578 2.043 0 O-C-N 117.202 -3.436 . . . . 0.0 112.292 -175.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.484 ' H ' HD12 ' A' ' 91' ' ' LEU . 1.5 tm-20 -37.81 -39.74 0.38 Allowed 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 150.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -83.38 -49.82 8.96 Favored 'General case' 0 C--O 1.197 -1.69 0 O-C-N 119.06 -2.275 . . . . 0.0 112.972 177.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 85.2 mt -53.8 -28.28 34.18 Favored 'General case' 0 C--O 1.262 1.74 0 O-C-N 118.635 -2.54 . . . . 0.0 114.792 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.2 m -57.09 -16.62 7.9 Favored 'General case' 0 CA--C 1.569 1.68 0 O-C-N 127.948 3.28 . . . . 0.0 119.141 169.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.2 m -125.26 -25.01 1.77 Allowed 'Isoleucine or valine' 0 C--O 1.301 3.777 0 O-C-N 128.142 3.401 . . . . 0.0 113.155 172.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.4 m -153.31 113.19 3.9 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 117.719 -3.113 . . . . 0.0 110.087 165.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -55.06 117.98 3.93 Favored 'General case' 0 C--O 1.269 2.096 0 C-N-CA 125.377 1.471 . . . . 0.0 112.845 174.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.82 160.46 33.41 Favored 'General case' 0 N--CA 1.423 -1.791 0 C-N-CA 127.939 2.496 . . . . 0.0 113.185 -175.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.0 t -129.47 158.91 37.88 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 117.565 -3.209 . . . . 0.0 111.381 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.6 t -23.54 -53.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.527 3.386 0 C-N-CA 129.351 3.06 . . . . 0.0 118.198 -173.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.67 -52.85 49.49 Favored Glycine 0 CA--C 1.469 -2.809 0 CA-C-O 116.653 -2.193 . . . . 0.0 113.428 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.538 ' HE2' ' NE2' ' A' ' 48' ' ' GLN . 9.6 t60 -69.86 -36.71 75.73 Favored 'General case' 0 C--N 1.401 2.823 0 C-N-CA 127.824 2.45 . . . . 0.0 110.024 -179.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . 0.271 96.1 mt -51.79 -60.7 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.19 -2.067 0 O-C-N 119.522 -1.986 . . . . 0.0 113.23 175.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.0 m -55.92 -6.76 0.25 Allowed 'General case' 0 C--O 1.24 0.589 0 CA-C-N 111.519 -2.582 . . . . 0.0 115.519 -173.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -124.97 -34.51 2.78 Favored 'General case' 0 C--N 1.373 1.589 0 O-C-N 119.326 -2.109 . . . . 0.0 113.921 -176.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.538 ' NE2' ' HE2' ' A' ' 44' ' ' HIS . 43.6 tt0 -79.56 -34.75 40.68 Favored 'General case' 0 C--O 1.254 1.294 0 C-N-CA 126.868 2.067 . . . . 0.0 112.05 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.0 mp -103.81 9.34 37.0 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 117.95 -1.024 . . . . 0.0 111.38 171.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.297 2.3 m120 41.64 64.35 1.07 Allowed 'General case' 0 C--N 1.309 -1.168 1 C-N-CA 134.965 5.306 . . . . 0.0 116.371 -174.686 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.2 mt -106.03 -125.18 0.23 Allowed 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 116.817 -1.563 . . . . 0.0 110.494 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.8 p -163.88 154.85 15.92 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 122.027 2.194 . . . . 0.0 107.16 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -69.3 -44.09 72.47 Favored 'General case' 0 C--N 1.364 1.23 0 O-C-N 119.662 -1.899 . . . . 0.0 112.767 -165.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . 0.321 0.8 OUTLIER -67.11 -29.24 68.93 Favored 'General case' 0 CA--C 1.561 1.401 0 O-C-N 128.313 3.508 . . . . 0.0 109.171 178.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -71.86 -38.93 69.99 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 121.84 2.109 . . . . 0.0 106.358 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.493 ' C ' ' H ' ' A' ' 58' ' ' HIS . 63.1 t -82.68 -31.51 9.47 Favored 'Isoleucine or valine' 0 C--O 1.253 1.242 0 CA-C-O 117.439 -1.267 . . . . 0.0 111.886 -175.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.5 m -62.34 8.13 0.05 Allowed 'General case' 0 C--N 1.283 -2.306 0 O-C-N 125.167 1.542 . . . . 0.0 112.764 171.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.493 ' H ' ' C ' ' A' ' 56' ' ' VAL . 41.1 t-80 -128.36 -37.24 1.85 Allowed 'General case' 0 CA--C 1.593 2.604 0 C-N-CA 128.53 2.732 . . . . 0.0 109.832 175.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -89.67 -43.69 10.55 Favored 'General case' 0 CA--C 1.585 2.301 0 CA-C-O 115.939 -1.981 . . . . 0.0 108.296 -168.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 tp -46.62 -55.27 7.93 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-N 119.004 0.82 . . . . 0.0 112.038 158.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -62.46 -35.17 78.47 Favored 'General case' 0 N--CA 1.444 -0.771 0 O-C-N 118.703 -2.498 . . . . 0.0 113.365 -178.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.89 -54.94 14.93 Favored 'General case' 0 C--N 1.292 -1.894 0 CA-C-N 120.353 1.433 . . . . 0.0 112.732 174.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.9 mt -53.8 -30.26 44.17 Favored 'General case' 0 CA--C 1.567 1.607 0 O-C-N 126.565 2.415 . . . . 0.0 112.572 -173.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -52.68 -43.23 65.44 Favored 'General case' 0 CA--C 1.484 -1.589 0 C-N-CA 130.726 3.611 . . . . 0.0 115.5 171.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.1 m -82.29 -13.96 56.15 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 125.963 1.705 . . . . 0.0 109.471 -173.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.3 m -115.16 20.02 6.95 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.691 0 CA-C-O 117.177 -1.392 . . . . 0.0 113.393 -177.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.404 16.4 p80 60.08 24.37 13.61 Favored 'General case' 0 C--O 1.258 1.55 0 C-N-CA 129.162 2.985 . . . . 0.0 118.316 166.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.9 mp -97.08 -13.68 22.05 Favored 'General case' 0 CA--C 1.575 1.938 0 O-C-N 119.372 -2.08 . . . . 0.0 111.037 167.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.2 t -133.55 149.38 30.99 Favored 'Isoleucine or valine' 0 CA--C 1.62 3.662 0 O-C-N 128.4 3.563 . . . . 0.0 113.78 -174.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -152.24 116.49 4.97 Favored 'General case' 0 C--N 1.365 1.262 1 O-C-N 129.198 4.061 . . . . 0.0 108.969 -172.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.426 ' HB2' ' CE2' ' A' ' 80' ' ' TYR . . . -69.04 157.83 36.01 Favored 'General case' 0 N--CA 1.509 2.521 0 N-CA-C 117.07 2.248 . . . . 0.0 117.07 168.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -161.5 156.76 23.94 Favored 'General case' 0 C--O 1.2 -1.514 0 O-C-N 126.817 2.573 . . . . 0.0 114.046 168.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -97.17 104.68 16.72 Favored 'General case' 0 C--O 1.21 -0.999 0 O-C-N 119.028 -2.295 . . . . 0.0 113.98 -174.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -115.22 100.88 8.46 Favored 'General case' 0 N--CA 1.51 2.569 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 174.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.23 -146.86 29.56 Favored Glycine 0 N--CA 1.436 -1.35 0 CA-C-O 125.207 2.56 . . . . 0.0 107.109 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -67.27 12.07 0.1 Allowed 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 119.379 3.103 . . . . 0.0 119.379 169.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.1 m -141.65 154.34 45.3 Favored 'General case' 0 CA--C 1.447 -2.999 0 C-N-CA 126.862 2.065 . . . . 0.0 116.462 -171.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 97.7 mmm -103.36 108.72 20.06 Favored 'General case' 0 N--CA 1.522 3.134 0 N-CA-C 102.477 -3.157 . . . . 0.0 102.477 -178.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . 0.349 21.6 mm -91.99 138.96 18.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 C-N-CA 125.916 1.686 . . . . 0.0 110.634 -175.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.426 ' CE2' ' HB2' ' A' ' 71' ' ' ALA . 15.0 m-85 -118.18 145.0 45.27 Favored 'General case' 0 N--CA 1.438 -1.026 1 O-C-N 114.286 -5.259 . . . . 0.0 112.069 -174.515 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . 0.256 26.1 m -130.85 169.41 15.79 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 130.229 3.412 . . . . 0.0 114.854 -177.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -55.24 147.32 16.84 Favored 'General case' 0 N--CA 1.52 3.051 0 C-N-CA 124.088 0.955 . . . . 0.0 108.965 154.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.27 -46.57 89.37 Favored 'General case' 0 N--CA 1.527 3.384 0 O-C-N 124.811 1.32 . . . . 0.0 110.408 174.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -158.14 165.13 35.74 Favored 'General case' 0 N--CA 1.412 -2.326 0 CA-C-N 121.941 2.155 . . . . 0.0 115.044 169.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.431 ' H ' HG22 ' A' ' 85' ' ' ILE . 9.9 tp -46.52 -25.7 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.586 2.359 0 O-C-N 116.876 -3.64 . . . . 0.0 115.582 172.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -57.21 -52.87 63.58 Favored 'General case' 0 C--O 1.272 2.237 2 CA-C-N 128.027 4.921 . . . . 0.0 110.649 170.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.412 HG11 ' H ' ' A' ' 87' ' ' VAL . 0.8 OUTLIER -69.99 -32.61 52.08 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.288 0 CA-C-O 117.866 -1.064 . . . . 0.0 113.098 -178.104 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.51 -41.16 72.7 Favored 'General case' 0 CA--C 1.589 2.454 0 O-C-N 124.508 1.13 . . . . 0.0 112.283 168.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.1 m -71.36 -47.49 56.01 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 113.596 -1.638 . . . . 0.0 107.204 -169.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 26.9 ttp -38.85 -51.73 1.74 Allowed 'General case' 0 C--O 1.197 -1.695 0 C-N-CA 126.164 1.786 . . . . 0.0 111.663 171.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.484 HD12 ' H ' ' A' ' 33' ' ' GLU . 6.0 tt -81.79 -34.36 30.38 Favored 'General case' 0 CA--C 1.484 -1.564 0 O-C-N 120.829 -1.169 . . . . 0.0 112.612 -173.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.7 tttp -69.81 -44.05 70.81 Favored 'General case' 0 C--O 1.191 -1.983 0 O-C-N 123.96 0.788 . . . . 0.0 110.688 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -72.58 -25.68 61.43 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 178.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.39 -42.81 58.64 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-O 115.923 -1.989 . . . . 0.0 111.603 167.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.429 HD13 ' CG1' ' B' ' 16' ' ' VAL 0.304 0.4 OUTLIER -45.52 -19.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.903 0 CA-C-O 127.9 3.714 . . . . 0.0 116.77 157.87 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -105.21 -12.69 15.98 Favored 'General case' 0 C--O 1.264 1.843 0 O-C-N 117.976 -2.952 . . . . 0.0 111.207 -174.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -92.62 -24.29 18.73 Favored 'General case' 0 C--O 1.253 1.265 0 CA-C-N 122.242 2.292 . . . . 0.0 108.804 167.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.35 -22.95 55.34 Favored 'General case' 0 C--O 1.247 0.957 0 O-C-N 119.16 -2.213 . . . . 0.0 116.339 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -150.37 155.87 40.44 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 125.62 1.825 . . . . 0.0 108.326 171.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -132.66 58.74 38.27 Favored Pre-proline 0 N--CA 1.503 2.214 0 O-C-N 126.839 2.587 . . . . 0.0 114.811 -175.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -90.98 158.35 3.95 Favored 'Trans proline' 0 C--N 1.394 2.96 0 N-CA-C 120.145 3.094 . . . . 0.0 120.145 -147.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . 0.343 50.3 tttm -73.36 137.45 44.73 Favored 'General case' 0 CA--C 1.543 0.694 1 C-N-CA 134.948 5.299 . . . . 0.0 108.689 163.241 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 C--O 1.265 1.875 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 173.386 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 C--O 1.198 -1.628 0 CA-C-O 122.436 1.112 . . . . 0.0 113.435 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 32.4 p -138.31 -14.53 1.31 Allowed 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 112.251 -2.25 . . . . 0.0 114.628 -168.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 48.69 -8.41 0.0 OUTLIER 'General case' 0 CA--C 1.566 1.568 0 C-N-CA 129.667 3.187 . . . . 0.0 115.83 -164.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 38.8 p -138.28 -76.02 0.38 Allowed 'General case' 0 N--CA 1.524 3.241 0 C-N-CA 130.361 3.464 . . . . 0.0 109.174 -152.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.403 ' C ' ' H ' ' B' ' 15' ' ' ARG . 0.6 OUTLIER -54.31 -53.91 47.48 Favored 'General case' 0 N--CA 1.415 -2.193 0 CA-C-N 120.937 1.699 . . . . 0.0 115.429 177.258 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -71.15 14.72 0.14 Allowed 'General case' 0 N--CA 1.522 3.137 0 C-N-CA 117.625 -1.63 . . . . 0.0 113.452 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.403 ' H ' ' C ' ' B' ' 13' ' ' LEU . 0.3 OUTLIER -125.66 -23.0 4.12 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 118.277 2.695 . . . . 0.0 118.277 164.564 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.429 ' CG1' HD13 ' A' ' 95' ' ' ILE . 20.9 m -80.83 -16.16 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.138 0 CA-C-N 120.87 1.668 . . . . 0.0 113.606 168.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 3.8 p -49.93 -42.38 48.26 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 125.17 1.388 . . . . 0.0 107.701 166.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -55.35 -44.72 76.22 Favored 'General case' 0 C--O 1.287 3.059 0 N-CA-C 117.752 2.501 . . . . 0.0 117.752 169.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 22.7 mt -77.84 -66.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.37 1.486 0 O-C-N 119.5 -2.0 . . . . 0.0 113.268 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.415 ' CZ ' ' HA ' ' A' ' 91' ' ' LEU . 1.6 m-30 -51.02 -34.15 28.2 Favored 'General case' 0 N--CA 1.514 2.769 0 C-N-CA 128.037 2.535 . . . . 0.0 115.041 -167.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 29.9 pttt -77.75 -35.67 51.53 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 125.673 1.858 . . . . 0.0 113.899 175.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.78 3.46 19.45 Favored 'General case' 0 C--O 1.264 1.857 0 O-C-N 128.307 3.504 . . . . 0.0 119.715 -168.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 mt -81.64 -11.88 58.92 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 130.562 3.545 . . . . 0.0 111.46 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.94 24.04 0.25 Allowed Glycine 0 CA--C 1.548 2.151 1 N-CA-C 123.235 4.054 . . . . 0.0 123.235 -165.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -129.85 127.19 39.75 Favored 'General case' 0 CA--C 1.501 -0.907 0 C-N-CA 128.159 2.584 . . . . 0.0 106.895 171.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -65.32 -24.44 67.28 Favored 'General case' 0 N--CA 1.439 -1.021 0 O-C-N 124.792 1.307 . . . . 0.0 108.531 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -67.55 -44.51 78.1 Favored 'General case' 0 N--CA 1.503 2.192 1 O-C-N 116.182 -4.074 . . . . 0.0 109.399 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -56.89 -31.22 64.65 Favored 'General case' 0 CA--C 1.511 -0.545 0 O-C-N 126.558 2.411 . . . . 0.0 110.991 178.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 33.7 mm -97.6 -38.55 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.555 0 CA-C-O 117.811 -1.09 . . . . 0.0 111.206 -167.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 26.7 ttt-85 -67.11 -24.24 65.91 Favored 'General case' 0 CA--C 1.599 2.846 0 CA-C-O 117.689 -1.148 . . . . 0.0 108.064 174.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.6 mt -67.76 -29.48 45.25 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.158 0 CA-C-O 113.664 -3.065 . . . . 0.0 112.0 167.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 75.2 mtm -101.78 -32.12 10.43 Favored 'General case' 0 C--O 1.187 -2.213 0 CA-C-N 124.079 3.127 . . . . 0.0 112.573 -171.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.459 ' H ' HD11 ' B' ' 91' ' ' LEU . 2.7 tm-20 -35.37 -56.63 0.63 Allowed 'General case' 1 N--CA 1.543 4.221 0 C-N-CA 125.2 1.4 . . . . 0.0 112.675 140.35 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . 0.255 0.4 OUTLIER -68.76 -53.94 18.93 Favored 'General case' 0 C--O 1.25 1.115 0 O-C-N 119.83 -1.794 . . . . 0.0 113.788 177.371 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 21.4 mt -59.11 -33.42 70.83 Favored 'General case' 0 C--O 1.257 1.488 0 O-C-N 116.997 -3.564 . . . . 0.0 114.805 -170.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 84.3 p -76.38 -9.39 58.61 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 108.638 -3.892 . . . . 0.0 113.063 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 m -111.53 -38.83 3.32 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 O-C-N 117.555 -3.216 . . . . 0.0 114.487 167.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 6.3 t -149.86 130.99 14.45 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 119.759 -1.838 . . . . 0.0 113.601 167.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -80.34 132.26 35.77 Favored 'General case' 0 N--CA 1.51 2.561 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 -169.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -135.23 152.07 51.2 Favored 'General case' 0 CA--C 1.555 1.141 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 171.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.423 ' HB2' ' HA ' ' B' ' 79' ' ' ILE . 23.5 t -92.54 152.83 19.41 Favored 'General case' 0 CA--C 1.48 -1.717 0 O-C-N 127.135 2.772 . . . . 0.0 112.825 168.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 t -17.63 -60.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.362 1.123 0 C-N-CA 126.775 2.03 . . . . 0.0 116.283 170.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.46 -43.15 66.38 Favored Glycine 0 CA--C 1.564 3.155 0 CA-C-O 122.364 0.98 . . . . 0.0 112.857 -176.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -89.09 -34.68 16.67 Favored 'General case' 0 C--O 1.191 -1.993 0 CA-C-O 114.4 -2.714 . . . . 0.0 106.708 -175.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 84.3 mt -53.85 -45.85 63.08 Favored 'Isoleucine or valine' 0 C--N 1.368 1.374 0 CA-C-N 121.002 1.728 . . . . 0.0 112.32 170.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 19.9 m -53.66 -32.86 53.21 Favored 'General case' 0 N--CA 1.405 -2.679 0 CA-C-O 115.123 -2.37 . . . . 0.0 110.893 176.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -83.94 -47.98 10.46 Favored 'General case' 0 N--CA 1.528 3.457 0 CA-C-O 113.51 -3.138 . . . . 0.0 113.112 166.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -71.18 -13.57 61.97 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 121.669 2.031 . . . . 0.0 113.55 -170.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 mp -128.4 15.45 6.61 Favored 'General case' 0 C--O 1.186 -2.25 0 O-C-N 116.785 -3.697 . . . . 0.0 115.014 170.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 27.2 m120 50.76 48.74 22.3 Favored 'General case' 0 CA--C 1.595 2.703 0 C-N-CA 127.843 2.457 . . . . 0.0 110.775 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 26.6 mt -101.25 149.75 23.68 Favored 'General case' 0 C--O 1.267 1.986 0 C-N-CA 125.967 1.707 . . . . 0.0 109.674 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 8.2 p -79.1 151.71 31.24 Favored 'General case' 0 C--N 1.301 -1.523 1 O-C-N 114.813 -4.929 . . . . 0.0 114.176 165.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . 0.294 22.2 tt0 -69.98 -38.85 76.14 Favored 'General case' 0 CA--C 1.595 2.71 0 C-N-CA 117.102 -1.839 . . . . 0.0 112.666 -166.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 19.9 m -63.9 -22.32 66.87 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -82.49 -52.84 6.48 Favored 'General case' 0 N--CA 1.511 2.582 0 C-N-CA 129.132 2.973 . . . . 0.0 110.261 171.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.523 ' C ' ' H ' ' B' ' 58' ' ' HIS . 47.1 t -64.66 -39.11 84.47 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.999 0 N-CA-C 116.726 2.121 . . . . 0.0 116.726 177.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 16.4 m -47.13 -4.06 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.75 0 C-N-CA 128.513 2.725 . . . . 0.0 113.459 164.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . 0.523 ' H ' ' C ' ' B' ' 56' ' ' VAL . 38.8 t-80 -120.41 -31.84 4.24 Favored 'General case' 0 C--N 1.411 3.248 0 CA-C-O 122.547 1.165 . . . . 0.0 111.471 173.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -94.33 -40.49 9.93 Favored 'General case' 0 CA--C 1.481 -1.691 0 CA-C-O 116.064 -1.922 . . . . 0.0 109.668 -164.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.403 ' HG ' ' CD2' ' B' ' 80' ' ' TYR . 10.3 tp -56.35 -31.34 63.67 Favored 'General case' 0 C--N 1.397 2.672 0 CA-C-O 113.053 -3.356 . . . . 0.0 110.994 161.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . 0.293 88.9 mttt -74.21 -45.22 49.61 Favored 'General case' 0 N--CA 1.417 -2.104 0 CA-C-N 123.45 2.841 . . . . 0.0 113.888 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.445 HD11 ' N ' ' B' ' 63' ' ' LEU . 0.6 OUTLIER -53.0 -50.7 63.65 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 115.653 -2.118 . . . . 0.0 113.257 165.742 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.445 ' N ' HD11 ' B' ' 62' ' ' LEU . 70.3 mt -59.64 -28.91 67.64 Favored 'General case' 0 N--CA 1.504 2.267 0 CA-C-N 122.96 2.618 . . . . 0.0 112.607 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -73.3 -48.61 33.11 Favored 'General case' 0 CA--C 1.56 1.347 0 CA-C-N 111.659 -2.519 . . . . 0.0 104.966 -176.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.4 m -63.8 -32.22 73.66 Favored 'General case' 0 N--CA 1.403 -2.793 0 C-N-CA 127.091 2.156 . . . . 0.0 113.446 177.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 29.7 m -96.24 8.24 6.87 Favored 'Isoleucine or valine' 1 N--CA 1.553 4.714 0 O-C-N 116.303 -3.998 . . . . 0.0 111.329 172.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 1.5 m170 65.48 16.26 10.43 Favored 'General case' 0 N--CA 1.515 2.809 0 C-N-CA 128.935 2.894 . . . . 0.0 114.742 165.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 mp -71.67 -20.34 61.96 Favored 'General case' 0 C--O 1.267 2.013 0 O-C-N 120.225 -1.547 . . . . 0.0 111.282 156.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 t -120.51 164.14 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.53 3.541 0 C-N-CA 126.016 1.726 . . . . 0.0 115.482 173.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -147.44 155.87 42.33 Favored 'General case' 0 C--O 1.265 1.891 0 C-N-CA 124.676 1.19 . . . . 0.0 111.657 156.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . 0.577 ' HB1' ' CE2' ' B' ' 80' ' ' TYR . . . -88.94 151.04 22.55 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.622 -1.172 . . . . 0.0 112.828 165.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -135.7 164.56 27.59 Favored 'General case' 0 CA--C 1.601 2.909 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 160.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -109.82 113.49 26.27 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 106.649 -1.612 . . . . 0.0 106.649 -167.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -156.57 112.1 2.92 Favored 'General case' 0 CA--C 1.596 2.732 0 N-CA-C 104.736 -2.32 . . . . 0.0 104.736 174.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.34 -164.35 30.68 Favored Glycine 0 N--CA 1.469 0.87 0 C-N-CA 127.767 2.603 . . . . 0.0 112.343 -177.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -68.28 -13.88 62.58 Favored 'General case' 0 C--N 1.361 1.104 0 CA-C-O 115.501 -2.19 . . . . 0.0 115.818 -177.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 86.9 p -123.37 168.54 12.39 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 127.811 3.194 . . . . 0.0 109.217 -169.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 22.9 mtm -97.37 133.78 41.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 120.342 -1.474 . . . . 0.0 111.88 168.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.423 ' HA ' ' HB2' ' B' ' 41' ' ' SER . 35.1 mm -92.64 141.96 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 C-N-CA 124.615 1.166 . . . . 0.0 112.502 170.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . 0.577 ' CE2' ' HB1' ' B' ' 71' ' ' ALA . 59.6 m-85 -116.27 149.31 39.42 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -178.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 9.1 m -148.07 161.64 41.0 Favored 'General case' 0 N--CA 1.436 -1.15 0 O-C-N 126.192 2.183 . . . . 0.0 109.797 -165.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 7.6 mp -62.31 154.64 27.25 Favored 'General case' 0 C--N 1.361 1.099 0 O-C-N 120.292 -1.505 . . . . 0.0 113.212 159.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -70.25 -46.35 64.6 Favored 'General case' 0 N--CA 1.515 2.785 0 O-C-N 119.208 -2.182 . . . . 0.0 113.752 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 13.9 p30 -151.23 175.41 12.21 Favored 'General case' 0 CA--C 1.583 2.214 0 CA-C-O 124.763 2.22 . . . . 0.0 112.912 159.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . 0.331 1.6 pp -49.99 -13.46 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.205 1 N-CA-C 122.104 4.113 . . . . 0.0 122.104 169.973 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -66.68 -52.77 41.03 Favored 'General case' 0 N--CA 1.427 -1.583 1 O-C-N 114.336 -5.228 . . . . 0.0 109.977 -177.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 3.5 m -85.84 -15.59 10.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 O-C-N 120.551 -1.343 . . . . 0.0 111.716 -176.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.55 -31.55 72.34 Favored 'General case' 0 C--O 1.194 -1.821 0 CA-C-O 123.343 1.544 . . . . 0.0 109.774 166.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 24.9 m -84.25 -41.45 16.9 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 114.485 -1.234 . . . . 0.0 108.728 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 16.9 tmm? -57.43 -46.65 83.32 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 168.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.459 HD11 ' H ' ' B' ' 33' ' ' GLU . 7.1 tt -67.13 -40.32 86.78 Favored 'General case' 0 N--CA 1.514 2.762 0 CA-C-O 117.107 -1.425 . . . . 0.0 109.17 176.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -67.36 -36.08 80.67 Favored 'General case' 0 CA--C 1.578 2.035 0 CA-C-N 122.304 2.32 . . . . 0.0 114.084 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -81.94 -14.61 55.84 Favored 'General case' 0 C--O 1.277 2.534 0 C-N-CA 125.38 1.472 . . . . 0.0 113.407 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.02 -52.93 14.61 Favored 'General case' 0 C--O 1.206 -1.217 0 CA-C-O 117.746 -1.121 . . . . 0.0 108.587 164.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -54.26 -34.39 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 CA-C-O 116.548 -1.691 . . . . 0.0 108.328 171.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . 0.291 0.8 OUTLIER -68.62 -35.76 77.73 Favored 'General case' 0 N--CA 1.431 -1.377 0 C-N-CA 126.079 1.752 . . . . 0.0 113.808 -179.303 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -73.12 -9.54 58.83 Favored 'General case' 0 C--O 1.27 2.142 0 CA-C-O 115.306 -2.283 . . . . 0.0 115.343 163.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -100.65 6.13 43.99 Favored 'General case' 0 N--CA 1.427 -1.614 0 CA-C-N 121.914 2.143 . . . . 0.0 116.099 158.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . 0.266 58.6 t30 -134.09 71.97 1.46 Allowed 'General case' 0 CA--C 1.498 -1.022 0 CA-C-N 119.98 1.264 . . . . 0.0 109.068 -172.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 46.5 m170 -92.23 143.38 27.39 Favored Pre-proline 0 C--N 1.309 -1.166 0 C-N-CA 127.449 2.299 . . . . 0.0 114.771 -178.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -77.7 -33.74 2.17 Favored 'Trans proline' 1 CA--C 1.623 4.975 1 C-N-CA 126.21 4.607 . . . . 0.0 113.331 -171.046 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -140.28 155.83 46.7 Favored 'General case' 0 CA--C 1.493 -1.245 0 O-C-N 128.805 3.815 . . . . 0.0 109.027 153.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 C--O 1.187 -2.189 0 CA-C-O 113.323 -3.227 . . . . 0.0 115.028 -175.26 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 m120 . . . . . 0 C--O 1.205 -1.277 0 CA-C-O 122.639 1.209 . . . . 0.0 109.929 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 p -134.0 -40.2 0.85 Allowed 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 116.054 -1.927 . . . . 0.0 112.817 174.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.336 0.8 OUTLIER 63.29 -48.05 0.23 Allowed 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 128.55 2.74 . . . . 0.0 118.077 178.767 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.6 p -144.19 -27.92 0.51 Allowed 'General case' 0 C--N 1.288 -2.1 0 C-N-CA 129.392 3.077 . . . . 0.0 110.82 175.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -41.12 -28.47 0.09 Allowed 'General case' 0 N--CA 1.409 -2.514 2 O-C-N 113.881 -5.512 . . . . 0.0 115.128 -175.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.24 -14.4 59.77 Favored 'General case' 0 C--N 1.271 -2.844 1 CA-C-N 126.628 4.286 . . . . 0.0 113.192 -174.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -104.57 -5.26 21.65 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 112.386 -2.188 . . . . 0.0 112.76 166.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.8 t -83.53 -38.31 14.16 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.376 0 O-C-N 119.343 -2.098 . . . . 0.0 113.062 165.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.1 p -67.4 -22.73 65.53 Favored 'General case' 0 N--CA 1.525 3.283 0 O-C-N 117.891 -3.006 . . . . 0.0 108.376 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.474 ' HG2' ' HE2' ' A' ' 67' ' ' HIS . 32.0 tt0 -66.82 -14.89 63.18 Favored 'General case' 0 C--O 1.254 1.318 0 C-N-CA 128.829 2.852 . . . . 0.0 111.47 172.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.33 0.6 OUTLIER -110.24 19.1 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.621 0 CA-C-N 124.917 3.508 . . . . 0.0 109.002 175.782 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -119.85 -34.96 3.61 Favored 'General case' 0 C--N 1.365 1.241 0 C-N-CA 127.838 2.455 . . . . 0.0 112.349 170.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -42.48 46.14 0.0 OUTLIER 'General case' 0 CA--C 1.588 2.427 0 C-N-CA 129.239 3.016 . . . . 0.0 112.394 141.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . 0.263 . . -177.11 -34.75 0.01 OUTLIER 'General case' 1 N--CA 1.54 4.029 0 C-N-CA 128.984 2.914 . . . . 0.0 111.988 -173.843 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.413 HD13 ' CD2' ' B' ' 20' ' ' PHE . 30.1 mt -81.2 -117.47 0.02 OUTLIER 'General case' 0 N--CA 1.422 -1.839 0 C-N-CA 126.803 2.041 . . . . 0.0 114.316 -176.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 42.81 -0.31 0.01 OUTLIER Glycine 0 N--CA 1.513 3.771 1 CA-C-O 112.273 -4.626 . . . . 0.0 122.435 -175.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -134.26 170.65 15.39 Favored 'General case' 0 CA--C 1.58 2.111 1 CA-C-N 125.26 4.53 . . . . 0.0 109.674 -169.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -95.26 -83.87 0.35 Allowed 'General case' 0 C--O 1.198 -1.607 0 O-C-N 119.483 -2.01 . . . . 0.0 109.186 -166.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -59.64 -43.25 93.95 Favored 'General case' 0 C--O 1.287 3.036 0 O-C-N 118.708 -2.495 . . . . 0.0 110.443 -166.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -30.34 -47.29 0.08 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 126.564 2.415 . . . . 0.0 113.682 162.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.3 pt -106.57 -6.01 10.2 Favored 'Isoleucine or valine' 0 C--O 1.276 2.478 1 O-C-N 115.655 -4.403 . . . . 0.0 109.874 -178.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.7 ttp85 -60.47 -22.9 64.02 Favored 'General case' 0 C--N 1.371 1.513 0 N-CA-C 115.467 1.655 . . . . 0.0 115.467 156.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.8 mt -64.72 -51.62 64.92 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.713 1 C-N-CA 132.463 4.305 . . . . 0.0 107.044 164.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 79.0 mtp -85.62 -41.28 15.36 Favored 'General case' 0 CA--C 1.575 1.911 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.127 -156.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.43 ' H ' HD12 ' A' ' 91' ' ' LEU . 3.9 tm-20 -24.56 -58.85 0.05 Allowed 'General case' 0 C--N 1.394 2.539 0 C-N-CA 128.96 2.904 . . . . 0.0 110.463 144.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -40.85 70.53 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 117.87 -3.018 . . . . 0.0 110.052 -173.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.252 79.9 mt -73.26 -21.91 60.51 Favored 'General case' 0 C--O 1.188 -2.134 0 O-C-N 120.041 -1.662 . . . . 0.0 113.817 -179.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.385 7.5 m -64.64 -4.01 3.75 Favored 'General case' 0 C--N 1.284 -2.244 1 C-N-CA 133.597 4.759 . . . . 0.0 114.211 167.212 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.0 m -128.01 -42.97 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.376 1.745 0 C-N-CA 127.426 2.29 . . . . 0.0 115.509 157.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.1 m -145.5 89.49 1.93 Allowed 'General case' 0 C--N 1.274 -2.691 0 N-CA-C 117.278 2.325 . . . . 0.0 117.278 -166.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -72.49 132.51 43.94 Favored 'General case' 0 N--CA 1.521 3.094 0 N-CA-C 116.814 2.153 . . . . 0.0 116.814 -169.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.8 -174.16 3.7 Favored 'General case' 0 N--CA 1.51 2.555 0 O-C-N 118.926 -2.359 . . . . 0.0 113.601 -169.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 t -109.57 149.7 29.26 Favored 'General case' 0 C--O 1.214 -0.809 1 C-N-CA 132.183 4.193 . . . . 0.0 112.674 166.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.6 t -11.58 -53.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 C-N-CA 130.625 3.57 . . . . 0.0 113.47 168.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.38 -28.73 18.92 Favored Glycine 0 N--CA 1.497 2.737 0 CA-C-N 120.286 1.403 . . . . 0.0 113.671 -164.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -81.25 -34.95 31.79 Favored 'General case' 0 C--O 1.2 -1.552 0 O-C-N 117.4 -3.412 . . . . 0.0 105.972 170.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.9 mt -52.41 -60.58 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.529 3.476 0 O-C-N 125.14 1.525 . . . . 0.0 108.659 167.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.9 m -62.49 -13.13 27.07 Favored 'General case' 0 C--O 1.279 2.626 0 N-CA-C 116.658 2.095 . . . . 0.0 116.658 -173.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -92.33 -54.89 3.62 Favored 'General case' 0 N--CA 1.426 -1.672 0 C-N-CA 128.946 2.898 . . . . 0.0 112.08 174.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -74.96 -16.75 60.63 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 115.746 -2.074 . . . . 0.0 112.905 -176.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.3 mp -104.92 -7.35 19.38 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 114.8 -2.524 . . . . 0.0 116.621 169.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.285 32.6 m120 63.21 50.3 3.05 Favored 'General case' 0 C--N 1.294 -1.846 0 C-N-CA 130.694 3.598 . . . . 0.0 111.907 175.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 48.4 mt -104.38 -122.06 0.21 Allowed 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 103.691 -2.707 . . . . 0.0 103.691 -173.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.2 p -167.61 151.41 6.37 Favored 'General case' 0 C--O 1.263 1.793 0 CA-C-N 122.099 2.227 . . . . 0.0 106.578 -177.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -60.13 -42.85 95.69 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 115.02 -2.419 . . . . 0.0 112.332 -168.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.7 m -69.42 -35.12 75.42 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-N 122.989 2.631 . . . . 0.0 111.775 -171.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -71.43 -43.9 65.87 Favored 'General case' 0 CA--C 1.557 1.215 0 CA-C-O 124.888 2.28 . . . . 0.0 112.707 -166.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.503 ' C ' ' H ' ' A' ' 58' ' ' HIS 0.251 60.7 t -72.09 -39.84 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.417 0 O-C-N 117.851 -3.03 . . . . 0.0 109.94 174.25 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.3 m -57.7 1.64 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.23 -2.169 . . . . 0.0 113.974 168.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.503 ' H ' ' C ' ' A' ' 56' ' ' VAL . 1.8 t-80 -121.64 -35.47 3.22 Favored 'General case' 0 N--CA 1.508 2.442 0 O-C-N 119.145 -2.222 . . . . 0.0 112.562 169.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -82.74 -40.69 20.2 Favored 'General case' 0 C--N 1.395 2.576 0 O-C-N 120.278 -1.514 . . . . 0.0 109.779 -176.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.4 tp -55.32 -46.86 76.28 Favored 'General case' 0 C--O 1.194 -1.832 0 CA-C-O 116.282 -1.818 . . . . 0.0 111.911 169.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -64.07 -43.11 96.44 Favored 'General case' 0 C--N 1.369 1.428 1 C-N-CA 131.778 4.031 . . . . 0.0 109.871 -178.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.14 -62.91 1.35 Allowed 'General case' 0 C--O 1.205 -1.244 0 CA-C-O 117.609 -1.186 . . . . 0.0 108.966 165.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.6 mt -52.17 -42.79 63.74 Favored 'General case' 0 N--CA 1.502 2.156 0 CA-C-N 123.204 2.729 . . . . 0.0 112.733 -173.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -53.64 -58.5 6.96 Favored 'General case' 0 N--CA 1.501 2.123 1 CA-C-N 106.735 -4.757 . . . . 0.0 105.444 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.3 m -69.64 -7.53 39.74 Favored 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 127.525 2.33 . . . . 0.0 112.665 -174.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.343 16.4 m -108.39 8.55 9.27 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.214 0 CA-C-O 113.772 -3.013 . . . . 0.0 115.96 178.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.474 ' HE2' ' HG2' ' A' ' 18' ' ' GLU 0.374 8.9 p80 65.46 18.68 11.38 Favored 'General case' 0 CA--C 1.565 1.534 0 O-C-N 127.686 3.116 . . . . 0.0 118.003 176.065 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 mp -99.44 -16.69 18.27 Favored 'General case' 0 CA--C 1.605 3.067 0 CA-C-N 120.279 1.4 . . . . 0.0 110.367 168.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 t -119.97 160.23 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 128.925 2.89 . . . . 0.0 108.438 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -160.46 127.89 4.42 Favored 'General case' 0 CA--C 1.56 1.343 0 CA-C-O 122.395 1.093 . . . . 0.0 111.837 173.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.46 146.54 48.55 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 126.141 2.877 . . . . 0.0 109.578 170.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -130.95 151.94 50.81 Favored 'General case' 0 C--N 1.382 1.995 0 CA-C-N 111.073 -2.785 . . . . 0.0 106.439 158.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -84.64 117.75 23.96 Favored 'General case' 0 C--O 1.194 -1.849 0 CA-C-O 115.396 -2.24 . . . . 0.0 110.098 170.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -132.23 125.29 30.76 Favored 'General case' 0 N--CA 1.423 -1.82 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 171.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 43.01 -135.47 4.43 Favored Glycine 0 N--CA 1.405 -3.378 0 C-N-CA 125.761 1.648 . . . . 0.0 116.987 -156.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -70.56 7.39 1.09 Allowed 'General case' 0 N--CA 1.518 2.94 0 N-CA-C 119.327 3.084 . . . . 0.0 119.327 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.1 m -139.15 160.11 40.58 Favored 'General case' 0 C--O 1.191 -1.978 0 CA-C-O 116.559 -1.686 . . . . 0.0 113.259 -159.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 19.7 mmt -96.67 127.5 42.72 Favored 'General case' 0 N--CA 1.402 -2.859 0 CA-C-O 122.475 1.131 . . . . 0.0 111.059 162.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.7 mm -102.83 126.26 57.08 Favored 'Isoleucine or valine' 0 C--O 1.26 1.611 0 C-N-CA 129.789 3.235 . . . . 0.0 108.852 175.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -108.04 132.41 53.57 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 126.329 1.852 . . . . 0.0 109.251 -173.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.1 m -144.06 173.96 11.28 Favored 'General case' 0 C--N 1.286 -2.157 0 CA-C-N 112.195 -2.275 . . . . 0.0 107.101 -175.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.04 150.46 45.32 Favored 'General case' 0 C--N 1.38 1.904 1 CA-C-O 128.634 4.064 . . . . 0.0 113.442 165.915 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -54.6 -40.35 68.76 Favored 'General case' 0 N--CA 1.412 -2.372 0 O-C-N 118.308 -2.745 . . . . 0.0 117.422 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.6 p30 -165.95 -179.93 5.5 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 129.074 2.95 . . . . 0.0 112.051 172.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.6 tp -65.46 -17.75 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.396 -3.157 0 CA-C-N 111.921 -2.399 . . . . 0.0 113.545 -170.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -71.38 -47.03 58.77 Favored 'General case' 0 CA--C 1.454 -2.741 0 O-C-N 120.987 -1.071 . . . . 0.0 111.607 173.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . 0.347 1.6 p -77.14 -34.12 21.11 Favored 'Isoleucine or valine' 0 C--O 1.26 1.611 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -177.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . 0.279 . . -59.31 -38.57 80.61 Favored 'General case' 0 C--O 1.19 -2.065 0 C-N-CA 123.876 0.87 . . . . 0.0 112.389 162.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 68.0 m -70.46 -34.75 72.77 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 175.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.2 ttt -61.15 -51.78 67.63 Favored 'General case' 0 C--O 1.263 1.777 0 C-N-CA 125.534 1.534 . . . . 0.0 111.614 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.43 HD12 ' H ' ' A' ' 33' ' ' GLU . 4.5 tt -75.63 -42.06 52.59 Favored 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 114.268 -1.333 . . . . 0.0 111.774 -178.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . 0.302 17.2 tttp -57.79 -41.53 82.3 Favored 'General case' 0 N--CA 1.508 2.442 0 C-N-CA 124.241 1.017 . . . . 0.0 110.187 175.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -77.24 -16.68 58.93 Favored 'General case' 0 N--CA 1.504 2.264 0 CA-C-N 121.272 1.851 . . . . 0.0 114.333 175.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -78.58 -41.92 30.55 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 118.913 -1.115 . . . . 0.0 109.679 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.05 -9.56 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.516 2.843 0 O-C-N 126.953 2.658 . . . . 0.0 110.958 170.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -113.13 7.33 17.91 Favored 'General case' 0 N--CA 1.422 -1.832 0 C-N-CA 129.984 3.314 . . . . 0.0 118.131 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -115.23 -8.63 12.33 Favored 'General case' 0 C--O 1.188 -2.137 0 CA-C-O 116.212 -1.852 . . . . 0.0 113.898 158.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . 0.439 . . -55.84 -37.64 68.99 Favored 'General case' 0 C--O 1.262 1.738 0 O-C-N 127.601 3.063 . . . . 0.0 118.02 169.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.444 HD22 HG23 ' B' ' 12' ' ' THR . 5.9 p30 -135.23 166.15 23.76 Favored 'General case' 0 C--N 1.292 -1.92 0 C-N-CA 129.687 3.195 . . . . 0.0 109.803 170.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -147.69 62.28 6.82 Favored Pre-proline 0 CA--C 1.574 1.884 0 O-C-N 125.853 1.971 . . . . 0.0 108.86 174.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -77.96 171.47 17.17 Favored 'Trans proline' 0 CA--C 1.563 1.972 1 C-N-CA 125.51 4.14 . . . . 0.0 112.377 -165.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -120.36 175.06 6.15 Favored 'General case' 0 N--CA 1.516 2.84 0 O-C-N 125.08 1.487 . . . . 0.0 108.897 176.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 N--CA 1.496 1.828 0 CA-C-O 115.197 -2.335 . . . . 0.0 113.211 -165.173 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 6.5 m120 . . . . . 0 CA--C 1.506 -0.744 0 CA-C-O 125.203 2.43 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 56.7 p -147.02 -23.7 0.4 Allowed 'General case' 0 C--O 1.265 1.898 0 CA-C-N 112.025 -2.352 . . . . 0.0 114.214 -172.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 51.24 -5.71 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.121 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 -162.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.444 HG23 HD22 ' A' ' 99' ' ' ASN . 28.5 p -134.53 -78.13 0.46 Allowed 'General case' 0 CA--C 1.591 2.551 1 O-C-N 115.18 -4.7 . . . . 0.0 109.758 -160.03 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.68 -44.88 18.98 Favored 'General case' 0 CA--C 1.469 -2.168 1 CA-C-O 111.17 -4.252 . . . . 0.0 113.294 169.861 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -82.2 4.03 25.02 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 123.566 2.894 . . . . 0.0 109.323 -171.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -123.59 -8.41 7.97 Favored 'General case' 0 C--O 1.267 1.995 0 C-N-CA 130.179 3.391 . . . . 0.0 114.168 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . 0.443 6.2 m -100.65 -16.23 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.341 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 164.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . 0.319 0.9 OUTLIER -56.38 -43.63 79.41 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 118.249 -1.381 . . . . 0.0 107.7 168.529 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -45.54 -39.0 6.94 Favored 'General case' 0 N--CA 1.534 3.759 0 CA-C-N 112.982 -1.917 . . . . 0.0 112.649 168.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 22.1 mt -88.83 -55.93 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.147 0 CA-C-O 124.943 2.306 . . . . 0.0 115.177 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.413 ' CD2' HD13 ' A' ' 23' ' ' LEU . 2.4 m-30 -66.04 -6.46 13.02 Favored 'General case' 0 C--O 1.202 -1.427 0 C-N-CA 127.59 2.356 . . . . 0.0 115.434 -169.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -99.37 -23.18 15.24 Favored 'General case' 0 N--CA 1.517 2.92 0 N-CA-C 116.527 2.047 . . . . 0.0 116.527 160.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.75 -11.51 47.91 Favored 'General case' 0 C--O 1.249 1.042 0 CA-C-N 120.007 1.276 . . . . 0.0 112.102 -171.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 62.3 mt -63.76 -20.99 66.19 Favored 'General case' 0 CA--C 1.594 2.646 0 C-N-CA 128.904 2.882 . . . . 0.0 113.937 168.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.9 37.36 0.09 OUTLIER Glycine 0 C--O 1.169 -3.922 0 N-CA-C 121.384 3.313 . . . . 0.0 121.384 -172.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -149.47 122.07 8.58 Favored 'General case' 0 C--O 1.251 1.158 0 CA-C-O 117.663 -1.16 . . . . 0.0 107.985 171.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . 0.274 1.1 p90 -52.37 -38.8 59.72 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 124.563 1.164 . . . . 0.0 113.079 -170.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -55.32 -47.9 74.94 Favored 'General case' 0 C--O 1.275 2.418 0 CA-C-N 112.251 -2.249 . . . . 0.0 114.442 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -53.11 -41.43 64.99 Favored 'General case' 0 C--O 1.186 -2.267 0 C-N-CA 129.742 3.217 . . . . 0.0 111.045 175.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 43.0 mm -83.57 -41.54 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.561 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 -168.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -56.42 -30.71 63.13 Favored 'General case' 0 C--N 1.357 0.92 0 N-CA-C 116.118 1.896 . . . . 0.0 116.118 165.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 32.7 mt -71.08 -48.4 55.6 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.798 0 O-C-N 124.398 1.061 . . . . 0.0 109.287 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 60.2 mtm -90.95 -36.93 13.82 Favored 'General case' 0 CA--C 1.559 1.295 0 O-C-N 119.314 -2.116 . . . . 0.0 116.173 -174.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -35.16 -41.67 0.16 Allowed 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 112.576 -3.583 . . . . 0.0 110.919 141.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . 0.384 0.4 OUTLIER -75.03 -52.35 11.29 Favored 'General case' 0 CA--C 1.629 3.987 0 CA-C-O 127.943 3.735 . . . . 0.0 117.641 177.074 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 58.5 mt -65.31 -27.59 68.72 Favored 'General case' 0 CA--C 1.556 1.184 0 O-C-N 118.675 -2.515 . . . . 0.0 109.801 -169.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 57.2 p -62.75 -0.73 0.69 Allowed 'General case' 0 N--CA 1.51 2.559 0 CA-C-N 111.529 -2.578 . . . . 0.0 117.728 170.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 m -134.97 -33.33 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 CA-C-N 112.836 -1.983 . . . . 0.0 111.46 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 10.6 t -157.18 120.49 4.1 Favored 'General case' 0 CA--C 1.575 1.909 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 167.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . 0.267 56.4 mt-10 -68.03 146.16 53.78 Favored 'General case' 0 N--CA 1.505 2.321 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -169.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -156.76 135.47 11.63 Favored 'General case' 0 CA--C 1.573 1.859 0 O-C-N 124.766 1.291 . . . . 0.0 111.56 -175.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 35.1 t -94.51 156.3 16.52 Favored 'General case' 0 CA--C 1.567 1.623 0 C-N-CA 128.013 2.525 . . . . 0.0 110.964 175.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . 0.326 37.1 t -9.82 -72.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.397 2.667 0 N-CA-C 118.446 2.758 . . . . 0.0 118.446 178.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.98 -30.99 76.78 Favored Glycine 0 N--CA 1.478 1.475 0 O-C-N 125.984 2.052 . . . . 0.0 114.596 -170.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -81.22 -43.17 19.65 Favored 'General case' 0 CA--C 1.569 1.687 0 C-N-CA 125.977 1.711 . . . . 0.0 110.794 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 96.2 mt -50.53 -51.38 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.026 0 CA-C-O 114.327 -2.749 . . . . 0.0 111.075 161.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 16.1 m -51.78 -38.33 55.09 Favored 'General case' 0 CA--C 1.581 2.148 0 C-N-CA 127.959 2.504 . . . . 0.0 109.56 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -70.82 -49.95 40.81 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 114.73 -2.557 . . . . 0.0 111.53 174.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -80.39 -20.48 43.9 Favored 'General case' 0 C--O 1.167 -3.247 0 O-C-N 128.085 3.365 . . . . 0.0 117.909 -169.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 4.1 mt -111.27 -0.12 16.53 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 112.898 -1.955 . . . . 0.0 113.952 -178.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 15.6 m120 54.14 43.06 31.22 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 130.38 3.472 . . . . 0.0 113.079 -175.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 mt -106.4 158.47 16.87 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 118.029 -2.919 . . . . 0.0 108.461 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 1.9 p -79.27 148.8 32.03 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 120.244 3.424 . . . . 0.0 120.244 171.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -55.75 -31.86 62.92 Favored 'General case' 0 C--N 1.375 1.677 0 CA-C-O 124.126 1.917 . . . . 0.0 110.356 -177.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 53.3 m -74.07 -46.44 43.07 Favored 'General case' 0 C--O 1.269 2.114 0 O-C-N 117.596 -3.19 . . . . 0.0 110.682 -174.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -69.48 -36.69 76.79 Favored 'General case' 0 N--CA 1.521 3.078 0 O-C-N 126.826 2.579 . . . . 0.0 111.771 175.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.445 ' C ' ' H ' ' B' ' 58' ' ' HIS . 65.9 t -75.27 -46.41 38.64 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.96 0 O-C-N 117.434 -3.291 . . . . 0.0 109.791 177.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.6 m -43.55 -15.41 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 118.429 2.751 . . . . 0.0 118.429 163.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . 0.445 ' H ' ' C ' ' B' ' 56' ' ' VAL . 45.2 t-80 -100.6 -44.39 5.86 Favored 'General case' 0 CA--C 1.508 -0.659 0 C-N-CA 129.329 3.052 . . . . 0.0 113.313 167.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -86.43 -35.91 19.41 Favored 'General case' 0 N--CA 1.409 -2.496 0 CA-C-N 121.655 2.025 . . . . 0.0 115.736 -164.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.5 tp -56.64 -45.04 81.82 Favored 'General case' 0 CA--C 1.595 2.695 0 C-N-CA 126.482 1.913 . . . . 0.0 107.907 167.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . 0.275 32.4 mttt -70.05 -40.93 74.8 Favored 'General case' 0 N--CA 1.512 2.633 0 C-N-CA 128.395 2.678 . . . . 0.0 109.963 -175.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -50.51 -55.11 17.51 Favored 'General case' 0 C--O 1.284 2.896 0 CA-C-O 123.477 1.608 . . . . 0.0 112.856 163.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.83 -34.85 77.53 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 117.359 -3.338 . . . . 0.0 114.256 -165.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -47.51 -51.54 20.28 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 126.194 2.902 . . . . 0.0 108.476 170.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 13.0 m -75.61 -2.09 27.62 Favored 'General case' 0 C--O 1.254 1.32 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 -178.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . 0.376 27.4 m -112.21 15.92 8.17 Favored 'Isoleucine or valine' 0 C--O 1.272 2.255 0 O-C-N 120.267 -1.521 . . . . 0.0 114.136 162.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 7.2 m80 46.96 22.17 0.19 Allowed 'General case' 0 CA--C 1.571 1.774 0 C-N-CA 127.204 2.202 . . . . 0.0 114.913 -178.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 mp -69.69 -22.22 63.44 Favored 'General case' 0 N--CA 1.508 2.445 0 O-C-N 116.419 -3.925 . . . . 0.0 106.794 161.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.0 t -133.25 153.75 37.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 C-N-CA 130.999 3.72 . . . . 0.0 114.377 -167.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -149.54 146.13 27.2 Favored 'General case' 0 N--CA 1.422 -1.849 1 CA-C-O 128.857 4.17 . . . . 0.0 107.783 170.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . 0.446 ' HB2' ' CE2' ' B' ' 80' ' ' TYR . . . -91.78 144.21 25.74 Favored 'General case' 0 C--O 1.269 2.116 0 CA-C-N 108.771 -3.831 . . . . 0.0 112.952 164.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -123.91 131.38 53.57 Favored 'General case' 0 N--CA 1.51 2.54 0 C-N-CA 129.541 3.136 . . . . 0.0 108.113 170.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -86.67 118.07 25.85 Favored 'General case' 0 CA--C 1.564 1.502 0 CA-C-N 110.741 -2.936 . . . . 0.0 107.831 -173.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -135.94 104.9 5.88 Favored 'General case' 0 C--N 1.39 2.333 0 O-C-N 125.337 1.648 . . . . 0.0 110.95 -177.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.06 -104.28 3.07 Favored Glycine 0 C--O 1.254 1.398 0 O-C-N 116.638 -3.789 . . . . 0.0 111.783 164.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . 0.297 30.3 mt-30 -119.93 7.19 10.89 Favored 'General case' 0 N--CA 1.51 2.574 0 C-N-CA 125.599 1.559 . . . . 0.0 107.905 168.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 65.5 p -136.55 -174.57 3.74 Favored 'General case' 0 C--O 1.216 -0.668 1 CA-C-N 126.205 4.093 . . . . 0.0 120.057 173.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 45.0 mtm -113.64 125.74 54.48 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 118.5 -2.625 . . . . 0.0 109.921 165.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 27.2 mm -85.98 140.34 16.04 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.87 0 O-C-N 127.575 3.047 . . . . 0.0 106.052 166.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . 0.446 ' CE2' ' HB2' ' B' ' 71' ' ' ALA . 37.6 m-85 -119.6 143.02 47.88 Favored 'General case' 0 N--CA 1.416 -2.132 0 CA-C-O 122.201 1.0 . . . . 0.0 112.959 -173.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 74.5 m -132.14 166.12 22.52 Favored 'General case' 0 C--O 1.284 2.902 1 C-N-CA 133.004 4.521 . . . . 0.0 109.108 -170.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.08 149.24 37.73 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 119.643 3.201 . . . . 0.0 119.643 143.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -72.18 -55.84 6.57 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-N 121.604 2.002 . . . . 0.0 110.565 -168.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -140.95 -170.48 3.05 Favored 'General case' 0 CA--C 1.493 -1.22 0 CA-C-O 123.631 1.681 . . . . 0.0 112.87 156.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -17.48 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.349 0 N-CA-C 117.35 2.352 . . . . 0.0 117.35 -176.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -64.84 -55.22 20.82 Favored 'General case' 0 N--CA 1.517 2.916 0 C-N-CA 129.089 2.955 . . . . 0.0 108.129 -177.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 m -88.12 -19.82 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -167.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.27 -24.8 66.63 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 118.108 2.632 . . . . 0.0 118.108 159.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 44.7 m -82.95 -52.23 6.87 Favored 'General case' 0 N--CA 1.502 2.165 0 N-CA-C 100.625 -3.843 . . . . 0.0 100.625 177.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 12.9 tmm? -52.81 -55.23 24.47 Favored 'General case' 0 C--O 1.17 -3.094 0 CA-C-N 119.882 1.219 . . . . 0.0 113.365 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 6.3 tt -57.95 -44.24 86.85 Favored 'General case' 0 C--O 1.192 -1.942 0 CA-C-O 114.535 -2.65 . . . . 0.0 115.83 175.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -67.99 -33.91 75.52 Favored 'General case' 0 C--N 1.373 1.595 0 CA-C-N 122.164 2.256 . . . . 0.0 108.69 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -71.67 -15.6 62.23 Favored 'General case' 1 N--CA 1.547 4.42 0 C-N-CA 129.038 2.935 . . . . 0.0 110.282 174.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.06 -33.89 19.36 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-O 122.46 1.124 . . . . 0.0 114.028 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 3.6 mm -59.26 -48.63 86.3 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 C-N-CA 126.108 1.763 . . . . 0.0 114.256 157.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -75.53 -25.61 57.35 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 119.519 -1.988 . . . . 0.0 114.729 -172.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -67.03 -7.76 25.14 Favored 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 162.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -102.55 -27.63 12.65 Favored 'General case' 0 CA--C 1.588 2.429 0 O-C-N 116.908 -3.62 . . . . 0.0 111.861 173.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -111.91 86.97 2.45 Favored 'General case' 0 N--CA 1.506 2.328 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 166.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -79.25 155.51 76.88 Favored Pre-proline 0 CA--C 1.549 0.917 0 O-C-N 124.573 1.17 . . . . 0.0 113.75 162.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -42.8 -39.12 7.23 Favored 'Trans proline' 0 CA--C 1.568 2.201 0 C-N-CA 125.091 3.861 . . . . 0.0 116.736 172.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -134.58 171.0 14.94 Favored 'General case' 0 CA--C 1.589 2.467 0 O-C-N 116.879 -3.638 . . . . 0.0 109.644 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . 0.311 27.8 mt-10 . . . . . 0 C--O 1.255 1.368 0 N-CA-C 115.527 1.676 . . . . 0.0 115.527 170.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.2 m120 . . . . . 0 N--CA 1.426 -1.664 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.1 p -134.74 -31.55 1.04 Allowed 'General case' 0 N--CA 1.513 2.697 0 O-C-N 126.374 2.296 . . . . 0.0 114.899 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.25 9.2 m-20 61.25 -55.27 0.1 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.197 2.199 . . . . 0.0 110.677 176.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.8 p -132.79 -22.99 2.06 Favored 'General case' 0 C--N 1.288 -2.09 0 C-N-CA 128.468 2.707 . . . . 0.0 112.785 -171.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.07 -28.26 63.21 Favored 'General case' 0 N--CA 1.51 2.569 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -164.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -67.51 -21.01 65.51 Favored 'General case' 0 C--N 1.374 1.662 0 O-C-N 116.615 -3.803 . . . . 0.0 112.617 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.276 15.2 ttm180 -100.63 -1.83 34.3 Favored 'General case' 0 N--CA 1.512 2.646 0 N-CA-C 120.331 3.456 . . . . 0.0 120.331 166.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 t -82.88 -42.03 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.324 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 156.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.1 p -63.35 -25.2 68.18 Favored 'General case' 0 C--N 1.381 1.976 1 O-C-N 115.663 -4.398 . . . . 0.0 118.3 171.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -56.38 -29.67 61.73 Favored 'General case' 0 CA--C 1.582 2.189 0 C-N-CA 127.486 2.314 . . . . 0.0 112.608 165.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.9 pp -104.38 5.64 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.535 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.386 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -92.54 -33.99 14.24 Favored 'General case' 0 C--N 1.363 1.193 0 N-CA-C 119.967 3.321 . . . . 0.0 119.967 151.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -64.28 52.25 0.02 OUTLIER 'General case' 0 C--O 1.286 2.983 0 C-N-CA 128.259 2.624 . . . . 0.0 111.399 153.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -167.87 -30.7 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 CA-C-N 110.084 -3.234 . . . . 0.0 108.715 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.3 mt -82.23 -129.14 0.02 OUTLIER 'General case' 0 CA--C 1.59 2.484 0 C-N-CA 126.271 1.828 . . . . 0.0 111.229 176.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 57.99 13.69 14.81 Favored Glycine 0 CA--C 1.561 2.949 0 C-N-CA 128.301 2.858 . . . . 0.0 120.165 177.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -142.55 165.81 26.38 Favored 'General case' 0 C--O 1.268 2.056 0 O-C-N 119.722 -2.046 . . . . 0.0 111.066 175.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -80.21 -83.25 0.1 Allowed 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 118.355 2.724 . . . . 0.0 118.355 -176.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -55.68 -45.41 77.77 Favored 'General case' 0 C--O 1.263 1.791 0 O-C-N 118.727 -2.483 . . . . 0.0 106.285 -172.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -39.66 -23.78 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.761 0 C-N-CA 128.366 2.666 . . . . 0.0 113.718 170.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.42 0.7 OUTLIER -114.0 -11.71 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.24 0 CA-C-O 113.265 -3.255 . . . . 0.0 119.174 170.456 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.2 ttp85 -67.7 -23.14 65.25 Favored 'General case' 0 CA--C 1.481 -1.675 0 C-N-CA 127.998 2.519 . . . . 0.0 111.153 157.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.414 ' HA ' HD23 ' A' ' 49' ' ' LEU . 17.0 mt -62.14 -57.15 13.38 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.831 0 CA-C-N 119.688 1.131 . . . . 0.0 111.344 164.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 61.2 mtp -81.18 -39.72 25.02 Favored 'General case' 0 C--O 1.185 -2.32 1 CA-C-O 111.236 -4.221 . . . . 0.0 109.638 -156.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.469 ' H ' HD12 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -10.54 -59.98 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.908 0 N-CA-C 120.75 3.611 . . . . 0.0 120.75 135.282 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.4 ' C ' HD12 ' A' ' 34' ' ' LEU 0.257 1.2 tm? -78.73 -55.25 5.32 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 117.824 -3.047 . . . . 0.0 109.245 -170.858 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.3 mt -45.44 -27.99 0.81 Allowed 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 127.582 2.353 . . . . 0.0 115.758 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.3 m -83.08 -10.9 58.46 Favored 'General case' 0 CA--C 1.587 2.367 0 C-N-CA 128.022 2.529 . . . . 0.0 111.223 -175.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.7 m -128.55 -29.82 0.87 Allowed 'Isoleucine or valine' 0 C--O 1.186 -2.253 0 C-N-CA 127.204 2.202 . . . . 0.0 113.073 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.9 m -154.66 101.87 2.35 Favored 'General case' 0 CA--C 1.594 2.659 0 O-C-N 119.511 -1.993 . . . . 0.0 114.561 159.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -32.6 124.69 0.33 Allowed 'General case' 0 N--CA 1.533 3.7 0 C-N-CA 129.819 3.247 . . . . 0.0 111.059 172.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -135.69 144.71 46.12 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 112.192 -2.276 . . . . 0.0 113.455 173.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.6 t -102.32 161.38 13.75 Favored 'General case' 0 N--CA 1.516 2.85 0 O-C-N 118.372 -2.705 . . . . 0.0 107.985 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.5 t -20.88 -66.85 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.521 3.075 0 CA-C-O 113.855 -2.974 . . . . 0.0 113.923 174.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.63 -42.33 95.53 Favored Glycine 0 C--O 1.272 2.488 1 O-C-N 129.679 4.362 . . . . 0.0 111.415 -169.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -74.76 -27.31 60.29 Favored 'General case' 0 C--N 1.386 2.188 0 CA-C-O 116.31 -1.805 . . . . 0.0 111.62 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.0 -56.42 17.57 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.389 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 174.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 m -43.04 -42.4 3.87 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.293 -1.504 . . . . 0.0 113.847 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -67.03 -68.55 0.37 Allowed 'General case' 0 C--O 1.268 2.043 0 O-C-N 124.674 1.234 . . . . 0.0 113.142 167.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -67.02 -22.7 65.88 Favored 'General case' 0 N--CA 1.516 2.862 0 O-C-N 118.901 -2.374 . . . . 0.0 109.635 -163.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 31' ' ' ILE . 5.2 mp -109.08 5.15 23.81 Favored 'General case' 0 N--CA 1.393 -3.314 0 CA-C-N 121.9 2.136 . . . . 0.0 111.564 178.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.264 5.6 m120 44.6 55.25 5.95 Favored 'General case' 0 CA--C 1.61 3.255 0 O-C-N 125.299 1.624 . . . . 0.0 112.627 -168.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.318 58.4 mt -99.08 -137.04 0.3 Allowed 'General case' 0 CA--C 1.576 1.972 0 O-C-N 126.259 2.225 . . . . 0.0 113.206 168.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.7 p -169.65 155.51 6.02 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 118.637 -2.54 . . . . 0.0 114.43 -175.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -62.86 -55.82 22.79 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 116.435 2.013 . . . . 0.0 116.435 -169.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.7 m -69.88 -26.59 64.26 Favored 'General case' 0 N--CA 1.524 3.236 0 CA-C-N 120.716 1.598 . . . . 0.0 114.217 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -63.8 -58.56 6.45 Favored 'General case' 0 N--CA 1.421 -1.897 0 C-N-CA 126.715 2.006 . . . . 0.0 107.979 169.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.564 ' C ' ' H ' ' A' ' 58' ' ' HIS . 59.1 t -71.66 -34.72 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.397 0 O-C-N 119.591 -1.943 . . . . 0.0 114.715 -169.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.79 8.31 0.06 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 164.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.564 ' H ' ' C ' ' A' ' 56' ' ' VAL . 55.7 t-80 -117.82 -34.52 4.17 Favored 'General case' 0 N--CA 1.426 -1.632 0 CA-C-O 112.346 -3.692 . . . . 0.0 116.119 165.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -99.67 -29.98 12.36 Favored 'General case' 0 CA--C 1.485 -1.553 0 O-C-N 126.221 2.201 . . . . 0.0 115.19 -173.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.428 HD22 ' CG ' ' A' ' 80' ' ' TYR . 13.8 tp -64.85 -31.41 72.63 Favored 'General case' 0 N--CA 1.503 2.218 0 CA-C-N 112.753 -2.021 . . . . 0.0 110.885 159.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -68.15 -47.15 68.83 Favored 'General case' 0 N--CA 1.498 1.97 0 C-N-CA 127.087 2.155 . . . . 0.0 112.648 170.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -50.82 -61.79 2.0 Allowed 'General case' 0 CA--C 1.555 1.154 0 O-C-N 119.266 -2.146 . . . . 0.0 113.243 169.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.7 mt -58.69 -36.37 74.11 Favored 'General case' 0 N--CA 1.506 2.368 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -173.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -57.91 -41.94 83.72 Favored 'General case' 0 CA--C 1.56 1.355 0 CA-C-O 124.485 2.088 . . . . 0.0 114.663 174.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.6 m -82.22 -14.04 56.15 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 126.124 1.77 . . . . 0.0 109.833 -176.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.266 27.8 m -114.77 27.69 3.1 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.23 0 CA-C-N 123.958 3.072 . . . . 0.0 115.96 176.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.261 16.4 p80 53.84 19.46 1.93 Allowed 'General case' 0 C--N 1.383 2.042 0 C-N-CA 129.687 3.195 . . . . 0.0 118.191 167.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.7 mp -77.01 -52.61 9.05 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 125.024 2.345 . . . . 0.0 108.269 165.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.3 t -97.94 163.86 2.46 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.556 0 CA-C-N 112.756 -2.02 . . . . 0.0 109.137 -172.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.475 ' HE2' ' HA ' ' A' ' 83' ' ' ASP . 28.3 ttpt -151.5 124.2 8.49 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 119.805 -1.809 . . . . 0.0 114.526 176.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.8 153.99 19.84 Favored 'General case' 0 N--CA 1.504 2.251 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 49.5 tttm -153.89 154.64 34.25 Favored 'General case' 0 C--N 1.383 2.028 0 C-N-CA 125.389 1.476 . . . . 0.0 111.907 162.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -75.72 132.9 40.8 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 117.765 -3.084 . . . . 0.0 108.791 -178.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -132.35 106.85 8.16 Favored 'General case' 0 CA--C 1.576 1.955 0 O-C-N 118.526 -2.609 . . . . 0.0 105.482 158.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.54 -149.39 33.47 Favored Glycine 0 N--CA 1.494 2.524 0 CA-C-N 122.075 2.216 . . . . 0.0 108.178 177.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . 0.264 5.6 pt20 -72.4 14.01 0.28 Allowed 'General case' 0 N--CA 1.508 2.471 0 N-CA-C 118.288 2.699 . . . . 0.0 118.288 171.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.9 m -131.93 159.56 38.31 Favored 'General case' 0 N--CA 1.512 2.673 0 CA-C-O 117.793 -1.098 . . . . 0.0 113.805 -171.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 74.2 mmm -110.08 126.99 54.6 Favored 'General case' 0 C--N 1.371 1.543 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 174.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 36.9 mm -96.71 133.16 39.17 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.229 0 O-C-N 125.539 1.774 . . . . 0.0 107.921 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.428 ' CG ' HD22 ' A' ' 60' ' ' LEU . 34.2 m-85 -121.19 135.42 55.15 Favored 'General case' 0 C--N 1.288 -2.077 0 C-N-CA 127.1 2.16 . . . . 0.0 105.878 -168.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.5 m -147.56 -174.06 4.44 Favored 'General case' 0 N--CA 1.504 2.235 0 C-N-CA 126.262 1.825 . . . . 0.0 107.462 -167.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -82.01 157.5 24.17 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 113.592 -3.099 . . . . 0.0 116.674 165.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.475 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 21.3 t70 -74.59 -28.27 60.84 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 124.243 3.201 . . . . 0.0 115.61 -174.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -173.28 176.89 2.79 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 127.127 2.171 . . . . 0.0 114.408 169.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.0 tp -50.14 -29.93 6.22 Favored 'Isoleucine or valine' 0 C--N 1.368 1.385 0 N-CA-C 117.509 2.411 . . . . 0.0 117.509 173.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -58.69 -58.54 8.13 Favored 'General case' 0 N--CA 1.407 -2.599 0 O-C-N 117.231 -3.418 . . . . 0.0 113.326 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.27 -36.66 50.04 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.206 0 C-N-CA 127.441 2.297 . . . . 0.0 109.539 -177.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.23 -35.42 69.67 Favored 'General case' 0 C--O 1.267 2.012 0 O-C-N 124.463 1.102 . . . . 0.0 111.375 169.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 38.7 m -91.79 -31.77 15.62 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 117.264 -3.397 . . . . 0.0 110.692 -174.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.5 ttt -44.83 -64.38 0.72 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 119.272 -2.142 . . . . 0.0 114.873 159.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.469 HD12 ' H ' ' A' ' 33' ' ' GLU . 7.3 tt -67.77 -44.02 78.42 Favored 'General case' 0 C--O 1.271 2.188 0 CA-C-N 121.81 2.095 . . . . 0.0 110.382 -176.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . 0.265 18.0 tttp -45.78 -57.81 3.99 Favored 'General case' 0 C--N 1.373 1.596 0 C-N-CA 126.252 1.821 . . . . 0.0 112.936 171.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -62.97 -31.88 73.09 Favored 'General case' 0 C--O 1.253 1.241 0 C-N-CA 129.462 3.105 . . . . 0.0 116.298 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.465 ' C ' ' H ' ' A' ' 96' ' ' HIS . . . -65.94 -48.43 71.41 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 168.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -49.37 -18.1 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.4 2.775 0 CA-C-O 124.77 2.224 . . . . 0.0 111.048 168.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.465 ' H ' ' C ' ' A' ' 94' ' ' ALA 0.397 29.9 m-70 -95.45 -15.54 22.89 Favored 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 117.176 2.287 . . . . 0.0 117.176 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -98.6 -19.85 17.34 Favored 'General case' 0 C--N 1.383 2.053 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 166.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -51.54 -38.65 55.24 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 119.61 3.189 . . . . 0.0 119.61 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -140.77 163.02 34.04 Favored 'General case' 0 CA--C 1.594 2.642 0 C-N-CA 128.416 2.686 . . . . 0.0 112.107 154.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -133.61 88.85 32.69 Favored Pre-proline 0 CA--C 1.586 2.335 0 N-CA-C 104.814 -2.291 . . . . 0.0 104.814 -178.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -106.59 147.91 0.1 OUTLIER 'Trans proline' 0 CA--C 1.58 2.81 0 C-N-CA 121.743 1.629 . . . . 0.0 111.381 -159.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -64.16 156.54 28.2 Favored 'General case' 0 C--O 1.26 1.617 0 C-N-CA 128.089 2.556 . . . . 0.0 111.202 168.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 . . . . . 0 N--CA 1.502 2.167 0 O-C-N 119.832 -1.792 . . . . 0.0 112.254 175.275 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 6.3 m120 . . . . . 0 N--CA 1.438 -1.033 0 N-CA-C 116.705 2.113 . . . . 0.0 116.705 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 66.2 p -139.59 -21.73 0.9 Allowed 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 131.468 3.907 . . . . 0.0 113.978 169.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . 0.334 11.6 m-20 63.79 -29.24 0.09 Allowed 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 129.283 3.033 . . . . 0.0 115.13 -174.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 41.8 p -132.4 -42.94 0.94 Allowed 'General case' 0 C--O 1.244 0.782 0 CA-C-O 113.539 -3.124 . . . . 0.0 113.261 -164.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.98 -51.2 55.13 Favored 'General case' 0 N--CA 1.508 2.428 0 CA-C-N 122.72 2.509 . . . . 0.0 117.223 162.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -60.01 7.82 0.02 OUTLIER 'General case' 0 CA--C 1.584 2.257 0 N-CA-C 116.067 1.877 . . . . 0.0 116.067 173.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -139.23 -25.06 0.86 Allowed 'General case' 0 N--CA 1.419 -1.982 1 C-N-CA 131.814 4.046 . . . . 0.0 117.625 177.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 35.3 m -81.22 -28.13 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 CA-C-N 122.393 2.361 . . . . 0.0 112.875 169.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 5.7 p -38.44 -52.68 1.57 Allowed 'General case' 0 CA--C 1.497 -1.08 0 CA-C-N 122.773 2.533 . . . . 0.0 107.719 168.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -57.98 -33.03 68.45 Favored 'General case' 0 N--CA 1.427 -1.581 0 O-C-N 126.896 2.623 . . . . 0.0 114.56 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 5.8 mt -79.15 -46.52 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 CA-C-O 118.025 -0.988 . . . . 0.0 111.523 171.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -81.14 -4.18 54.52 Favored 'General case' 0 C--O 1.273 2.315 1 C-N-CA 133.983 4.913 . . . . 0.0 112.697 -168.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . 0.275 24.8 pttt -100.32 -20.22 15.96 Favored 'General case' 0 CA--C 1.579 2.082 0 CA-C-O 112.183 -3.77 . . . . 0.0 111.027 158.284 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.92 -10.9 23.8 Favored 'General case' 0 N--CA 1.506 2.361 0 CA-C-N 121.875 2.125 . . . . 0.0 110.851 -176.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.09 -13.15 32.78 Favored 'General case' 0 N--CA 1.501 2.121 0 CA-C-N 123.51 2.868 . . . . 0.0 112.748 172.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.71 49.13 2.73 Favored Glycine 1 CA--C 1.58 4.153 0 CA-C-O 117.117 -1.935 . . . . 0.0 116.383 -159.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -155.89 118.74 4.22 Favored 'General case' 0 C--O 1.265 1.896 0 N-CA-C 103.668 -2.715 . . . . 0.0 103.668 173.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -56.8 -35.31 68.58 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.051 0.941 . . . . 0.0 110.434 -175.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -59.79 -60.57 3.63 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 128.606 2.762 . . . . 0.0 110.194 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . 0.284 68.2 mtt180 -42.55 -46.99 5.07 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 129.595 3.158 . . . . 0.0 108.824 174.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.8 mm -80.8 -44.0 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 CA-C-O 115.319 -2.277 . . . . 0.0 108.762 -169.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 -50.47 -39.71 48.77 Favored 'General case' 0 N--CA 1.427 -1.586 0 O-C-N 125.393 1.683 . . . . 0.0 111.24 174.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 16.1 mt -60.04 -40.99 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.494 0 CA-C-N 114.324 -1.307 . . . . 0.0 114.013 169.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 43.9 mtm -86.69 -47.58 9.02 Favored 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -175.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.489 ' H ' HD11 ' B' ' 91' ' ' LEU . 5.3 tm-20 -19.65 -54.87 0.01 OUTLIER 'General case' 0 N--CA 1.529 3.49 0 O-C-N 119.759 -1.838 . . . . 0.0 112.763 141.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -68.69 -59.6 3.0 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 175.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 83.3 mt -53.74 -26.93 25.63 Favored 'General case' 0 C--N 1.364 1.224 0 N-CA-C 121.172 3.768 . . . . 0.0 121.172 -177.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 81.4 p -72.94 -3.33 25.21 Favored 'General case' 0 CA--C 1.564 1.516 1 O-C-N 130.365 4.79 . . . . 0.0 118.056 170.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 3.6 m -123.99 -20.87 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.539 0 CA-C-O 117.192 -1.385 . . . . 0.0 112.352 162.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 27.5 t -160.07 104.24 1.5 Allowed 'General case' 0 C--N 1.374 1.637 0 CA-C-N 121.242 1.837 . . . . 0.0 114.177 176.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -51.35 143.17 12.01 Favored 'General case' 0 CA--C 1.597 2.759 0 O-C-N 125.512 1.757 . . . . 0.0 112.545 -174.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.13 158.3 43.87 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 116.04 1.867 . . . . 0.0 116.04 165.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 8.5 t -98.07 151.79 19.98 Favored 'General case' 0 CA--C 1.462 -2.423 0 O-C-N 119.795 -1.815 . . . . 0.0 111.504 162.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.401 HG21 ' CD2' ' B' ' 60' ' ' LEU 0.29 2.6 t 10.2 -70.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.261 1.69 0 C-N-CA 129.861 3.264 . . . . 0.0 119.777 150.485 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.53 -13.77 83.17 Favored Glycine 0 N--CA 1.488 2.151 0 C-N-CA 116.776 -2.631 . . . . 0.0 117.83 -172.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -95.81 -33.03 12.4 Favored 'General case' 0 CA--C 1.568 1.662 0 CA-C-O 117.148 -1.406 . . . . 0.0 111.252 170.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 87.1 mt -50.79 -44.95 27.23 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.078 0 C-N-CA 128.104 2.561 . . . . 0.0 110.626 163.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 39.0 m -60.61 -16.77 41.7 Favored 'General case' 0 CA--C 1.582 2.174 0 CA-C-N 112.911 -1.95 . . . . 0.0 113.534 176.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -101.21 -56.3 2.34 Favored 'General case' 0 CA--C 1.591 2.535 0 CA-C-O 115.759 -2.067 . . . . 0.0 109.054 171.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -53.54 -38.37 63.74 Favored 'General case' 0 C--O 1.274 2.362 0 C-N-CA 128.567 2.747 . . . . 0.0 117.346 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 mt -119.02 12.22 12.69 Favored 'General case' 0 CA--C 1.603 3.019 0 C-N-CA 130.961 3.704 . . . . 0.0 114.839 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 23.7 m120 34.29 59.94 0.6 Allowed 'General case' 0 C--O 1.257 1.493 0 C-N-CA 129.386 3.075 . . . . 0.0 111.245 175.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 47.4 mt -116.28 161.67 18.65 Favored 'General case' 0 N--CA 1.517 2.898 0 O-C-N 118.95 -2.344 . . . . 0.0 108.219 169.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 22.5 p -72.45 145.57 47.51 Favored 'General case' 0 C--N 1.387 2.2 0 CA-C-N 121.467 1.94 . . . . 0.0 108.885 177.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -63.22 -36.14 82.66 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 119.634 -1.916 . . . . 0.0 113.143 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.5 -44.57 96.85 Favored 'General case' 0 CA--C 1.572 1.82 0 C-N-CA 128.39 2.676 . . . . 0.0 110.011 174.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -64.94 -32.35 74.03 Favored 'General case' 0 N--CA 1.509 2.485 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 167.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.501 ' C ' ' H ' ' B' ' 58' ' ' HIS 0.401 52.4 t -76.61 -40.37 33.37 Favored 'Isoleucine or valine' 0 C--N 1.368 1.399 1 O-C-N 115.729 -4.357 . . . . 0.0 113.873 177.734 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 75.7 m -47.92 -7.63 0.02 OUTLIER 'General case' 0 N--CA 1.416 -2.132 0 C-N-CA 130.391 3.476 . . . . 0.0 115.875 156.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . 0.501 ' H ' ' C ' ' B' ' 56' ' ' VAL . 9.8 t-160 -119.08 -37.79 3.15 Favored 'General case' 0 C--N 1.404 2.971 0 C-N-CA 128.036 2.534 . . . . 0.0 117.077 176.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -82.77 -54.12 5.36 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 127.244 2.218 . . . . 0.0 109.719 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.401 ' CD2' HG21 ' B' ' 42' ' ' VAL . 13.3 tp -58.51 -15.64 11.97 Favored 'General case' 0 C--N 1.368 1.386 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 173.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -87.08 -27.07 23.36 Favored 'General case' 0 C--O 1.261 1.702 0 CA-C-O 118.458 -0.782 . . . . 0.0 111.93 168.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -61.55 -53.99 49.07 Favored 'General case' 0 CA--C 1.484 -1.58 0 CA-C-N 121.536 1.971 . . . . 0.0 110.99 172.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 79.4 mt -56.89 -38.22 72.49 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 124.601 2.144 . . . . 0.0 110.043 -172.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -65.86 -49.99 66.14 Favored 'General case' 0 N--CA 1.523 3.216 0 CA-C-N 110.801 -2.909 . . . . 0.0 105.12 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.3 m -75.22 1.41 13.54 Favored 'General case' 0 CA--C 1.562 1.427 0 O-C-N 120.057 -1.652 . . . . 0.0 114.683 -173.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . 0.312 13.0 m -110.08 2.01 9.21 Favored 'Isoleucine or valine' 0 C--N 1.369 1.423 0 O-C-N 116.395 -3.94 . . . . 0.0 111.907 165.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . 0.263 0.9 OUTLIER 61.89 25.58 15.39 Favored 'General case' 0 N--CA 1.408 -2.528 0 C-N-CA 128.241 2.616 . . . . 0.0 117.439 -179.37 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 16.7 mt -72.55 -25.03 61.22 Favored 'General case' 0 N--CA 1.497 1.875 0 C-N-CA 128.189 2.596 . . . . 0.0 112.916 165.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.0 t -130.08 152.28 37.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 C-N-CA 129.026 2.93 . . . . 0.0 113.196 -171.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -138.53 137.89 37.49 Favored 'General case' 0 C--N 1.386 2.182 0 CA-C-O 125.278 2.466 . . . . 0.0 115.784 167.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . 0.533 ' HB2' ' CE2' ' B' ' 80' ' ' TYR . . . -83.89 143.65 29.74 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 112.468 -2.151 . . . . 0.0 110.29 167.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -137.52 144.31 42.1 Favored 'General case' 0 N--CA 1.499 1.984 0 CA-C-N 114.651 -1.158 . . . . 0.0 110.078 174.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 85.9 mtt-85 -97.38 126.77 42.83 Favored 'General case' 0 CA--C 1.572 1.814 0 C-N-CA 125.534 1.534 . . . . 0.0 113.348 -167.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -140.35 95.44 2.88 Favored 'General case' 0 N--CA 1.413 -2.278 0 C-N-CA 126.177 1.791 . . . . 0.0 114.86 177.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.42 -124.76 35.88 Favored Glycine 1 CA--C 1.583 4.316 0 O-C-N 126.252 2.22 . . . . 0.0 113.107 -167.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -76.31 -25.56 54.92 Favored 'General case' 0 N--CA 1.482 1.162 1 C-N-CA 132.567 4.347 . . . . 0.0 112.397 -176.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 93.6 p -103.88 167.02 10.05 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 118.604 -2.56 . . . . 0.0 115.654 176.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 42.5 mtm -113.9 126.59 55.33 Favored 'General case' 0 C--O 1.267 1.983 0 N-CA-C 103.991 -2.596 . . . . 0.0 103.991 171.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 28.3 mm -94.82 150.44 4.1 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.983 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 172.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . 0.533 ' CE2' ' HB2' ' B' ' 71' ' ' ALA . 71.7 m-85 -127.64 145.8 50.76 Favored 'General case' 0 CA--C 1.564 1.481 0 CA-C-O 124.344 2.021 . . . . 0.0 114.491 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 1.5 m -133.96 172.28 13.03 Favored 'General case' 0 N--CA 1.401 -2.904 0 C-N-CA 131.194 3.798 . . . . 0.0 113.287 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 9.6 mp -72.72 156.58 38.79 Favored 'General case' 0 C--O 1.265 1.917 0 O-C-N 118.872 -2.392 . . . . 0.0 107.158 157.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . 0.299 21.4 t0 -71.24 -51.34 25.18 Favored 'General case' 0 C--O 1.285 2.967 0 O-C-N 119.861 -1.775 . . . . 0.0 111.65 -169.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -151.75 -176.04 5.46 Favored 'General case' 0 C--N 1.377 1.793 0 CA-C-O 124.67 2.176 . . . . 0.0 109.945 166.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.1 pp -76.03 0.15 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.16 0 CA-C-N 110.154 -3.203 . . . . 0.0 115.99 -176.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -64.72 -64.04 0.97 Allowed 'General case' 0 C--N 1.281 -2.408 1 O-C-N 115.744 -4.347 . . . . 0.0 116.561 167.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . 0.334 1.6 m -62.29 -32.88 56.29 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.176 0 CA-C-N 114.395 -1.275 . . . . 0.0 112.834 173.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.02 -36.87 85.0 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 117.009 -3.557 . . . . 0.0 110.074 176.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 5.4 m -77.58 -32.15 53.54 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 123.759 1.742 . . . . 0.0 108.976 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 7.5 tmm? -67.19 -44.82 78.69 Favored 'General case' 0 N--CA 1.409 -2.497 0 N-CA-C 120.244 3.424 . . . . 0.0 120.244 172.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.489 HD11 ' H ' ' B' ' 33' ' ' GLU . 4.1 tt -56.7 -50.12 73.11 Favored 'General case' 0 C--O 1.248 0.981 0 CA-C-N 113.237 -1.801 . . . . 0.0 108.145 166.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -73.01 -33.35 65.7 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 118.115 -2.866 . . . . 0.0 109.672 -170.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -79.19 -7.48 58.25 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 117.419 -3.301 . . . . 0.0 113.807 171.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.02 -48.14 22.11 Favored 'General case' 0 CA--C 1.562 1.432 0 CA-C-O 115.152 -2.356 . . . . 0.0 112.18 158.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 2.2 mm -54.98 -41.06 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.804 0 O-C-N 125.5 1.75 . . . . 0.0 110.499 166.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . 0.274 0.9 OUTLIER -64.94 -35.02 79.8 Favored 'General case' 0 N--CA 1.525 3.289 0 O-C-N 120.732 -1.23 . . . . 0.0 114.198 -178.785 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -80.42 -22.71 40.93 Favored 'General case' 0 CA--C 1.576 1.969 0 CA-C-O 124.802 2.239 . . . . 0.0 111.343 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -77.52 -15.75 59.09 Favored 'General case' 0 C--N 1.377 1.772 1 CA-C-O 129.814 4.626 . . . . 0.0 115.682 168.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -138.06 93.34 2.75 Favored 'General case' 0 C--O 1.265 1.898 1 O-C-N 114.18 -5.325 . . . . 0.0 109.584 -166.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -110.56 152.78 43.6 Favored Pre-proline 0 N--CA 1.512 2.671 0 CA-C-O 114.282 -2.77 . . . . 0.0 114.801 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -59.72 -24.7 76.62 Favored 'Trans proline' 0 CA--C 1.551 1.359 0 CA-C-N 124.684 2.709 . . . . 0.0 115.528 177.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -137.82 142.82 40.81 Favored 'General case' 0 CA--C 1.483 -1.622 0 CA-C-O 123.683 1.706 . . . . 0.0 107.807 -176.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 C--N 1.283 -2.31 0 CA-C-O 114.932 -2.461 . . . . 0.0 111.455 160.958 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 C--O 1.26 1.617 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 p -80.63 -39.52 27.27 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 118.347 -2.721 . . . . 0.0 110.993 161.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 47.33 -33.6 0.0 OUTLIER 'General case' 0 CA--C 1.581 2.16 1 C-N-CA 135.027 5.331 . . . . 0.0 116.593 177.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.4 p -148.58 -30.74 0.27 Allowed 'General case' 0 C--O 1.266 1.941 0 C-N-CA 130.162 3.385 . . . . 0.0 115.136 -172.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . 0.25 1.4 mm? -55.46 -41.48 72.99 Favored 'General case' 0 CA--C 1.561 1.367 0 CA-C-O 115.983 -1.96 . . . . 0.0 114.294 -173.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -62.82 -24.81 67.95 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 120.841 1.655 . . . . 0.0 115.378 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -81.21 -12.08 59.24 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 162.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.0 t -83.93 -41.1 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.156 -0.965 . . . . 0.0 111.73 170.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.7 p -67.58 -26.7 66.41 Favored 'General case' 0 N--CA 1.512 2.637 0 C-N-CA 118.345 -1.342 . . . . 0.0 111.623 171.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -68.47 -15.54 63.58 Favored 'General case' 0 C--O 1.204 -1.303 0 C-N-CA 125.898 1.679 . . . . 0.0 112.658 167.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.406 ' H ' HG13 ' A' ' 19' ' ' ILE . 2.7 pp -116.76 29.74 2.44 Favored 'Isoleucine or valine' 0 C--N 1.363 1.184 0 CA-C-N 120.943 1.701 . . . . 0.0 112.709 170.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -117.01 -37.88 3.5 Favored 'General case' 0 C--N 1.366 1.32 0 O-C-N 118.251 -2.781 . . . . 0.0 110.59 160.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -63.34 64.98 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.043 0 O-C-N 124.467 1.104 . . . . 0.0 110.856 150.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -176.99 -26.44 0.01 OUTLIER 'General case' 0 C--N 1.264 -3.112 0 O-C-N 128.554 3.659 . . . . 0.0 109.751 -176.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.6 mt -92.78 -123.5 0.09 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 127.841 2.456 . . . . 0.0 106.785 172.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.29 22.43 0.95 Allowed Glycine 1 CA--C 1.618 6.493 1 N-CA-C 123.864 4.306 . . . . 0.0 123.864 -179.346 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -145.42 -177.69 5.69 Favored 'General case' 0 C--N 1.396 2.598 0 N-CA-C 116.86 2.17 . . . . 0.0 116.86 164.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -99.2 -61.44 1.37 Allowed 'General case' 0 CA--C 1.552 1.035 0 O-C-N 119.104 -2.247 . . . . 0.0 114.065 -165.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -68.83 -45.38 71.3 Favored 'General case' 0 CA--C 1.574 1.875 0 O-C-N 117.144 -3.473 . . . . 0.0 109.167 -175.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -28.95 -30.81 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.587 0 C-N-CA 128.864 2.866 . . . . 0.0 116.083 169.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.9 pt -120.65 -12.43 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 174.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.1 ttp85 -62.6 -20.13 64.43 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 117.573 -3.204 . . . . 0.0 112.827 165.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.4 mt -80.34 -40.86 20.2 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.434 0 O-C-N 119.554 -1.966 . . . . 0.0 112.074 167.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 87.5 mtp -81.15 -50.04 10.09 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-O 115.101 -2.38 . . . . 0.0 108.119 -163.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.435 ' H ' HD12 ' A' ' 91' ' ' LEU . 10.4 tm-20 -11.75 -54.29 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.681 0 N-CA-C 120.43 3.493 . . . . 0.0 120.43 141.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.252 0.2 OUTLIER -81.39 -43.2 19.32 Favored 'General case' 0 N--CA 1.511 2.584 0 CA-C-N 113.782 -1.554 . . . . 0.0 112.561 -175.801 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.425 ' CD2' ' H ' ' A' ' 40' ' ' ALA . 90.0 mt -65.74 -25.87 67.48 Favored 'General case' 0 C--O 1.192 -1.955 0 O-C-N 121.606 -0.684 . . . . 0.0 109.973 -175.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.3 m -67.0 -5.94 14.89 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 129.401 3.081 . . . . 0.0 116.007 174.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.5 m -135.63 -21.72 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 167.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.5 m -155.01 113.5 3.53 Favored 'General case' 0 CA--C 1.489 -1.394 0 C-N-CA 125.645 1.578 . . . . 0.0 109.003 166.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -66.63 143.17 57.16 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 124.089 1.9 . . . . 0.0 112.894 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.425 ' H ' ' CD2' ' A' ' 35' ' ' LEU . . . -141.65 147.83 38.18 Favored 'General case' 0 CA--C 1.623 3.768 0 C-N-CA 129.007 2.923 . . . . 0.0 109.763 -174.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.9 t -103.81 170.45 7.92 Favored 'General case' 1 N--CA 1.587 6.394 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 171.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.417 ' H ' HG23 ' A' ' 42' ' ' VAL . 17.4 t -23.7 -65.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.366 1.315 0 C-N-CA 126.238 1.815 . . . . 0.0 114.564 174.295 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.98 -38.85 94.82 Favored Glycine 0 C--N 1.338 0.687 0 O-C-N 126.095 2.122 . . . . 0.0 115.949 -178.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -84.73 -24.86 28.68 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 116.869 2.174 . . . . 0.0 116.869 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 54.3 mt -66.79 -55.72 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.793 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 169.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -43.46 -44.17 5.72 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 128.611 2.764 . . . . 0.0 114.593 169.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -60.37 -74.0 0.08 Allowed 'General case' 0 C--O 1.203 -1.359 0 O-C-N 118.186 -2.821 . . . . 0.0 113.692 163.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -71.0 -32.76 69.68 Favored 'General case' 0 CA--C 1.599 2.839 0 CA-C-O 122.803 1.287 . . . . 0.0 111.715 -154.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 mp -102.54 10.77 38.63 Favored 'General case' 0 CA--C 1.567 1.621 0 CA-C-O 116.905 -1.521 . . . . 0.0 111.139 176.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.4 m120 57.09 50.1 12.54 Favored 'General case' 0 N--CA 1.51 2.54 0 N-CA-C 118.883 2.92 . . . . 0.0 118.883 172.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.9 mt -112.9 -142.51 0.38 Allowed 'General case' 0 CA--C 1.584 2.279 0 C-N-CA 127.084 2.154 . . . . 0.0 113.424 -177.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.5 p -155.43 164.74 38.31 Favored 'General case' 0 CA--C 1.577 2.019 0 CA-C-N 120.638 1.563 . . . . 0.0 110.221 -178.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -74.43 -44.41 51.95 Favored 'General case' 0 N--CA 1.426 -1.627 0 C-N-CA 118.462 -1.295 . . . . 0.0 114.426 -166.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.5 m -68.22 -42.83 79.23 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 123.148 1.451 . . . . 0.0 109.313 -174.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -51.71 -48.88 63.39 Favored 'General case' 0 C--O 1.194 -1.847 1 C-N-CA 132.129 4.172 . . . . 0.0 112.125 171.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.541 ' C ' ' H ' ' A' ' 58' ' ' HIS . 74.7 t -83.13 -32.78 9.72 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.003 0 O-C-N 118.687 -2.508 . . . . 0.0 111.411 -175.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.6 m -60.16 10.15 0.02 OUTLIER 'General case' 0 C--O 1.248 1.003 0 O-C-N 117.08 -3.512 . . . . 0.0 113.701 162.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.541 ' H ' ' C ' ' A' ' 56' ' ' VAL . 52.4 t-80 -140.56 -30.73 0.64 Allowed 'General case' 0 CA--C 1.567 1.631 0 O-C-N 120.363 -1.46 . . . . 0.0 111.403 -178.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -95.22 -30.58 13.92 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 118.215 -2.803 . . . . 0.0 110.339 177.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.7 tp -60.61 -50.35 73.88 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 129.058 2.943 . . . . 0.0 111.563 156.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -62.71 -39.24 93.41 Favored 'General case' 0 C--N 1.393 2.473 0 N-CA-C 106.668 -1.605 . . . . 0.0 106.668 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -52.3 -70.19 0.09 Allowed 'General case' 1 N--CA 1.54 4.038 0 CA-C-O 115.134 -2.365 . . . . 0.0 111.157 172.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.7 mt -45.82 -53.6 9.41 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 124.122 1.915 . . . . 0.0 111.823 -174.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -49.86 -31.46 12.1 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 111.591 -2.549 . . . . 0.0 117.231 169.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.1 m -90.35 3.91 52.34 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 174.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.7 m -126.04 7.02 4.0 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.5 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 177.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.256 7.6 p80 56.97 26.82 12.3 Favored 'General case' 0 N--CA 1.419 -2.005 0 CA-C-O 126.35 2.976 . . . . 0.0 115.503 175.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.5 mp -79.23 -24.95 42.7 Favored 'General case' 0 C--O 1.247 0.936 0 CA-C-N 113.344 -1.753 . . . . 0.0 115.699 159.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -126.52 155.88 37.07 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.688 0 C-N-CA 131.604 3.961 . . . . 0.0 118.024 -174.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -144.63 128.75 17.64 Favored 'General case' 0 N--CA 1.422 -1.825 0 O-C-N 120.156 -1.59 . . . . 0.0 111.657 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -81.09 146.7 30.47 Favored 'General case' 0 CA--C 1.572 1.798 0 C-N-CA 128.682 2.793 . . . . 0.0 112.704 173.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.423 ' HG3' ' H ' ' A' ' 73' ' ' ARG . 5.0 tttm -150.19 151.95 33.88 Favored 'General case' 0 CA--C 1.485 -1.547 0 CA-C-O 122.843 1.306 . . . . 0.0 109.049 169.194 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.423 ' H ' ' HG3' ' A' ' 72' ' ' LYS . 56.9 ttt-85 -98.01 123.99 42.28 Favored 'General case' 0 C--N 1.382 1.993 0 C-N-CA 125.114 1.366 . . . . 0.0 108.92 -171.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -144.91 119.94 10.04 Favored 'General case' 0 CA--C 1.608 3.185 0 N-CA-C 105.91 -1.885 . . . . 0.0 105.91 -174.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 50.86 -127.84 28.6 Favored Glycine 0 N--CA 1.44 -1.077 0 CA-C-N 112.5 -2.137 . . . . 0.0 113.834 -159.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -96.38 30.6 2.48 Favored 'General case' 0 C--N 1.388 2.257 0 CA-C-O 116.199 -1.858 . . . . 0.0 112.512 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.2 m -136.83 165.64 25.47 Favored 'General case' 0 C--N 1.289 -2.032 0 CA-C-O 124.639 2.161 . . . . 0.0 108.638 -169.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 93.6 mmm -112.07 129.31 56.26 Favored 'General case' 0 C--N 1.383 2.053 0 CA-C-N 111.298 -2.683 . . . . 0.0 112.988 160.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . 0.253 5.6 mm -99.88 155.84 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.52 0 N-CA-C 105.069 -2.197 . . . . 0.0 105.069 175.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -135.85 149.29 48.99 Favored 'General case' 0 CA--C 1.461 -2.473 0 CA-C-N 110.383 -3.099 . . . . 0.0 113.533 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.8 m -146.78 165.94 28.14 Favored 'General case' 0 C--O 1.192 -1.97 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 -161.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -53.33 149.04 7.87 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-O 124.752 2.215 . . . . 0.0 109.502 163.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . 0.335 30.7 t70 -52.56 -58.35 7.05 Favored 'General case' 0 N--CA 1.506 2.344 1 O-C-N 113.623 -5.673 . . . . 0.0 113.845 167.633 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -156.7 -177.34 6.54 Favored 'General case' 0 C--O 1.248 0.991 0 CA-C-O 125.018 2.342 . . . . 0.0 110.448 172.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.8 tp -62.9 -18.01 20.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 116.657 -3.777 . . . . 0.0 114.277 176.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -69.03 -50.49 48.2 Favored 'General case' 0 C--O 1.209 -1.077 0 O-C-N 116.654 -3.779 . . . . 0.0 112.098 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.6 p -78.01 -34.74 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.999 0 CA-C-N 112.649 -2.069 . . . . 0.0 116.436 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -47.12 -49.13 22.66 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 120.335 1.425 . . . . 0.0 112.85 154.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.5 m -64.63 -53.34 49.19 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 -175.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 36.8 ttp -53.94 -44.87 71.01 Favored 'General case' 0 C--N 1.389 2.3 0 C-N-CA 125.872 1.669 . . . . 0.0 109.034 -172.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.435 HD12 ' H ' ' A' ' 33' ' ' GLU . 3.3 tt -66.15 -38.2 87.52 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 117.238 -3.414 . . . . 0.0 114.596 167.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.5 tptt -71.23 -41.1 70.59 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 119.262 -2.149 . . . . 0.0 114.755 -176.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -74.79 -16.64 60.7 Favored 'General case' 0 N--CA 1.507 2.414 0 O-C-N 120.208 -1.558 . . . . 0.0 114.918 172.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -78.78 -42.75 27.11 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 117.452 2.39 . . . . 0.0 117.452 164.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.01 -21.22 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.287 0 C-N-CA 125.856 1.663 . . . . 0.0 110.183 169.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -90.88 0.59 57.45 Favored 'General case' 0 CA--C 1.555 1.164 0 N-CA-C 117.547 2.425 . . . . 0.0 117.547 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -119.18 6.65 11.24 Favored 'General case' 0 N--CA 1.521 3.122 0 O-C-N 120.247 -1.533 . . . . 0.0 114.533 163.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.77 -47.86 68.02 Favored 'General case' 0 N--CA 1.505 2.288 0 C-N-CA 126.124 1.77 . . . . 0.0 113.012 164.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -136.39 177.2 8.03 Favored 'General case' 0 N--CA 1.507 2.418 0 CA-C-N 119.272 0.942 . . . . 0.0 112.231 164.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -141.12 60.95 13.32 Favored Pre-proline 0 N--CA 1.513 2.683 0 O-C-N 126.432 2.333 . . . . 0.0 111.6 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -62.82 166.43 13.97 Favored 'Trans proline' 0 N--CA 1.429 -2.309 1 C-N-CA 127.148 5.232 . . . . 0.0 113.299 -165.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -102.17 151.73 21.85 Favored 'General case' 0 N--CA 1.422 -1.867 0 CA-C-N 112.98 -1.918 . . . . 0.0 113.9 174.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 C--N 1.393 2.483 0 O-C-N 116.734 -3.728 . . . . 0.0 108.691 -172.643 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 8.2 m120 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 62.9 p -137.29 -21.86 1.17 Allowed 'General case' 0 C--N 1.365 1.264 0 O-C-N 118.012 -2.93 . . . . 0.0 112.827 175.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 34.76 -15.76 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.679 0 N-CA-C 119.873 3.286 . . . . 0.0 119.873 -150.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 33.0 p -116.0 -57.18 2.24 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-N 121.978 2.172 . . . . 0.0 107.673 -162.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.2 -53.93 19.0 Favored 'General case' 0 C--O 1.186 -2.248 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 165.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -47.7 -5.61 0.01 OUTLIER 'General case' 0 C--N 1.276 -2.592 0 C-N-CA 127.393 2.277 . . . . 0.0 116.009 161.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -132.02 -19.27 2.57 Favored 'General case' 0 N--CA 1.404 -2.769 0 N-CA-C 119.707 3.225 . . . . 0.0 119.707 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 m -88.03 -12.33 10.44 Favored 'Isoleucine or valine' 0 C--N 1.369 1.443 0 O-C-N 117.674 -3.141 . . . . 0.0 115.208 171.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.5 p -68.37 -38.04 81.02 Favored 'General case' 0 C--O 1.199 -1.6 0 C-N-CA 117.016 -1.874 . . . . 0.0 110.671 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . 0.262 5.1 tp10 -52.59 -36.7 56.68 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-N 112.429 -2.169 . . . . 0.0 115.692 162.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 50.4 mt -76.53 -42.93 35.48 Favored 'Isoleucine or valine' 0 C--O 1.259 1.576 0 CA-C-O 114.579 -2.629 . . . . 0.0 111.695 169.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . 0.27 5.1 m-30 -79.75 -9.94 59.72 Favored 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 130.801 3.641 . . . . 0.0 110.713 -167.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -84.05 -42.63 15.94 Favored 'General case' 0 C--O 1.276 2.483 0 C-N-CA 127.656 2.383 . . . . 0.0 115.247 157.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.73 -16.04 61.66 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 -176.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 80.9 mt -67.51 -11.81 58.84 Favored 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 124.931 1.293 . . . . 0.0 113.383 178.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.09 42.86 0.3 Allowed Glycine 0 C--O 1.197 -2.209 0 C-N-CA 130.1 3.714 . . . . 0.0 115.347 -161.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -157.72 131.9 8.21 Favored 'General case' 0 CA--C 1.597 2.754 0 CA-C-N 121.316 2.558 . . . . 0.0 106.027 173.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -33.83 74.43 Favored 'General case' 0 CA--C 1.564 1.509 0 CA-C-N 120.061 1.301 . . . . 0.0 110.152 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -69.0 -42.38 76.52 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -178.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -56.76 -35.01 68.15 Favored 'General case' 0 C--O 1.168 -3.194 0 C-N-CA 123.859 0.864 . . . . 0.0 111.596 174.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 13.2 mm -89.62 -45.73 15.22 Favored 'Isoleucine or valine' 0 C--O 1.258 1.514 0 C-N-CA 126.538 1.935 . . . . 0.0 113.279 -169.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -54.12 -24.16 16.67 Favored 'General case' 0 C--N 1.396 2.623 0 C-N-CA 127.108 2.163 . . . . 0.0 107.897 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 31.5 mt -72.8 -38.05 56.53 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.749 0 O-C-N 118.88 -2.388 . . . . 0.0 111.776 171.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . 0.256 70.5 mtm -91.01 -43.24 10.06 Favored 'General case' 0 C--N 1.289 -2.032 1 O-C-N 116.289 -4.007 . . . . 0.0 114.035 -173.199 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.523 ' H ' HD11 ' B' ' 91' ' ' LEU . 3.4 tm-20 -21.73 -43.33 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 127.271 2.228 . . . . 0.0 114.979 135.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.0 -54.09 6.68 Favored 'General case' 0 C--O 1.265 1.872 0 O-C-N 118.989 -2.319 . . . . 0.0 114.437 168.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.519 HD21 ' H ' ' B' ' 40' ' ' ALA . 30.9 mt -61.35 -32.62 72.51 Favored 'General case' 0 CA--C 1.592 2.574 0 C-N-CA 127.757 2.423 . . . . 0.0 115.433 -170.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' SER . . . . . 0.422 ' HB3' ' CD1' ' B' ' 82' ' ' LEU . 36.9 p -62.95 -10.2 12.72 Favored 'General case' 0 N--CA 1.518 2.944 0 CA-C-N 110.653 -2.976 . . . . 0.0 117.735 164.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . 0.296 20.8 m -117.05 -52.28 4.41 Favored 'Isoleucine or valine' 0 C--N 1.365 1.279 0 C-N-CA 129.82 3.248 . . . . 0.0 111.649 172.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 9.1 t -130.47 138.67 50.38 Favored 'General case' 0 C--O 1.202 -1.441 0 C-N-CA 128.895 2.878 . . . . 0.0 115.064 166.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -78.14 134.47 37.67 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 117.838 2.532 . . . . 0.0 117.838 177.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.519 ' H ' HD21 ' B' ' 35' ' ' LEU . . . -144.01 156.85 44.55 Favored 'General case' 0 C--O 1.254 1.314 0 O-C-N 119.918 -1.739 . . . . 0.0 110.238 -176.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 41.2 t -122.42 150.6 42.24 Favored 'General case' 0 C--O 1.255 1.384 0 O-C-N 127.846 3.217 . . . . 0.0 108.228 -175.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 40.6 t -15.0 -65.78 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.96 0 O-C-N 127.409 2.943 . . . . 0.0 118.652 -176.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.8 -45.39 79.71 Favored Glycine 0 CA--C 1.575 3.798 0 O-C-N 126.694 2.496 . . . . 0.0 110.761 -177.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -80.19 -39.11 29.86 Favored 'General case' 0 N--CA 1.419 -2.016 0 C-N-CA 126.437 1.895 . . . . 0.0 111.127 -177.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 92.3 mt -50.39 -40.5 18.37 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.205 0 O-C-N 119.848 -1.782 . . . . 0.0 112.267 165.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 43.1 m -64.8 -22.76 67.05 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 177.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . 0.504 ' CE1' HE21 ' B' ' 48' ' ' GLN 0.255 5.9 t-80 -88.84 -40.21 13.3 Favored 'General case' 0 N--CA 1.512 2.659 0 C-N-CA 124.282 1.033 . . . . 0.0 111.539 173.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.504 HE21 ' CE1' ' B' ' 47' ' ' HIS . 73.0 mm-40 -81.51 -24.66 36.53 Favored 'General case' 0 C--O 1.209 -1.028 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -171.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 5.3 mp -124.45 11.36 8.63 Favored 'General case' 0 C--N 1.363 1.188 0 N-CA-C 117.118 2.266 . . . . 0.0 117.118 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 20.0 m120 49.31 56.81 7.25 Favored 'General case' 0 C--O 1.279 2.643 0 C-N-CA 126.992 2.117 . . . . 0.0 106.097 170.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 72.5 mt -109.46 158.34 18.06 Favored 'General case' 0 CA--C 1.578 2.029 0 C-N-CA 128.584 2.753 . . . . 0.0 104.654 168.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.0 p -76.11 144.51 40.61 Favored 'General case' 0 CA--C 1.555 1.145 0 O-C-N 120.563 -1.336 . . . . 0.0 112.471 163.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -63.57 -36.59 84.3 Favored 'General case' 0 C--O 1.204 -1.316 0 O-C-N 116.615 -3.803 . . . . 0.0 108.625 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.0 m -67.5 -23.59 65.49 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 121.228 1.831 . . . . 0.0 111.426 -177.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -76.02 -39.02 56.6 Favored 'General case' 0 C--O 1.3 3.733 0 O-C-N 118.83 -2.419 . . . . 0.0 112.412 168.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.508 ' C ' ' H ' ' B' ' 58' ' ' HIS 0.387 21.7 t -76.14 -34.66 26.82 Favored 'Isoleucine or valine' 0 C--O 1.279 2.615 0 CA-C-O 113.888 -2.958 . . . . 0.0 113.154 -178.358 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 29.3 m -58.07 0.53 0.06 Allowed 'General case' 0 C--N 1.37 1.462 0 O-C-N 126.605 2.441 . . . . 0.0 114.84 162.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . 0.508 ' H ' ' C ' ' B' ' 56' ' ' VAL . 21.5 t-80 -124.57 -37.48 2.5 Favored 'General case' 0 CA--C 1.485 -1.535 0 CA-C-N 120.073 1.306 . . . . 0.0 114.512 174.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -66.84 -40.44 87.94 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 118.386 -2.696 . . . . 0.0 110.773 174.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 tp -66.05 -36.22 82.64 Favored 'General case' 0 C--O 1.277 2.519 0 O-C-N 119.343 -2.098 . . . . 0.0 108.373 177.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -76.44 -36.0 58.19 Favored 'General case' 0 C--N 1.376 1.757 0 O-C-N 116.96 -3.588 . . . . 0.0 113.628 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -53.1 -60.81 2.82 Favored 'General case' 0 C--O 1.251 1.144 0 CA-C-N 120.263 1.392 . . . . 0.0 108.089 168.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 86.3 mt -55.06 -37.84 67.26 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 123.859 0.725 . . . . 0.0 112.609 -174.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -55.83 -56.64 18.17 Favored 'General case' 0 C--O 1.207 -1.155 0 C-N-CA 128.915 2.886 . . . . 0.0 107.971 179.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.0 m -62.54 -8.54 6.52 Favored 'General case' 0 CA--C 1.573 1.839 0 C-N-CA 129.726 3.211 . . . . 0.0 118.352 171.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 1.3 m -112.87 19.95 6.84 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.916 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 159.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 27.9 m170 56.52 13.73 1.44 Allowed 'General case' 0 C--O 1.272 2.256 0 N-CA-C 118.205 2.668 . . . . 0.0 118.205 170.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 10.5 mt -86.38 -23.08 26.27 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.393 -0.817 . . . . 0.0 109.505 171.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.0 t -108.86 151.8 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 O-C-N 125.314 1.634 . . . . 0.0 112.002 169.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -132.5 161.39 33.88 Favored 'General case' 0 N--CA 1.501 2.093 0 CA-C-N 114.808 -1.087 . . . . 0.0 113.391 158.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -96.95 171.59 8.4 Favored 'General case' 0 C--O 1.265 1.908 0 CA-C-N 113.475 -1.693 . . . . 0.0 110.18 159.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -157.99 138.79 13.06 Favored 'General case' 0 N--CA 1.488 1.457 1 C-N-CA 135.453 5.501 . . . . 0.0 111.279 164.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 55.3 mtt-85 -93.75 127.79 39.64 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 105.856 -1.905 . . . . 0.0 105.856 -175.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -144.48 116.39 8.3 Favored 'General case' 0 N--CA 1.418 -2.032 0 CA-C-O 114.975 -2.441 . . . . 0.0 112.347 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.53 -162.53 29.24 Favored Glycine 1 N--CA 1.518 4.126 0 C-N-CA 117.281 -2.39 . . . . 0.0 112.145 -166.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -78.97 37.56 0.31 Allowed 'General case' 0 C--O 1.269 2.101 0 N-CA-C 115.489 1.663 . . . . 0.0 115.489 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 85.6 p -155.8 171.07 20.65 Favored 'General case' 0 C--N 1.284 -2.255 0 N-CA-C 116.283 1.957 . . . . 0.0 116.283 169.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 36.5 mtm -93.74 129.15 40.18 Favored 'General case' 0 N--CA 1.51 2.575 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 170.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . 0.263 43.3 mm -86.63 156.92 3.3 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 161.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -127.12 149.98 49.7 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 126.827 2.051 . . . . 0.0 113.157 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 58.1 m -143.81 156.24 44.41 Favored 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 128.925 2.89 . . . . 0.0 110.321 -170.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.422 ' CD1' ' HB3' ' B' ' 36' ' ' SER . 2.5 mt -48.57 141.85 6.58 Favored 'General case' 0 C--O 1.261 1.661 0 O-C-N 119.952 -1.717 . . . . 0.0 110.791 147.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -65.47 -41.97 92.76 Favored 'General case' 0 CA--C 1.492 -1.26 0 O-C-N 120.265 -1.522 . . . . 0.0 114.442 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -167.53 -175.45 2.84 Favored 'General case' 0 C--O 1.248 0.998 0 C-N-CA 118.105 -1.438 . . . . 0.0 112.048 158.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.8 pp -64.57 -2.59 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 C-N-CA 127.094 2.157 . . . . 0.0 112.009 -172.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -72.42 -69.21 0.42 Allowed 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 123.492 2.86 . . . . 0.0 111.96 172.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 3.2 m -77.05 -15.8 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.339 0 CA-C-N 124.284 3.22 . . . . 0.0 112.652 -177.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.07 -49.75 65.77 Favored 'General case' 1 CA--C 1.642 4.506 0 C-N-CA 128.949 2.9 . . . . 0.0 106.254 161.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 89.0 m -77.4 -33.3 55.08 Favored 'General case' 0 C--N 1.285 -2.205 0 CA-C-O 116.947 -1.502 . . . . 0.0 112.079 -172.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -57.89 -51.41 69.74 Favored 'General case' 0 N--CA 1.512 2.672 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 162.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.523 HD11 ' H ' ' B' ' 33' ' ' GLU . 5.4 tt -66.61 -54.28 25.15 Favored 'General case' 0 N--CA 1.49 1.535 1 CA-C-O 110.932 -4.366 . . . . 0.0 108.605 178.482 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -52.73 -34.28 51.96 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 124.679 3.4 . . . . 0.0 111.492 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -82.69 -12.75 57.36 Favored 'General case' 0 C--O 1.252 1.214 0 C-N-CA 126.362 1.865 . . . . 0.0 113.083 -177.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.64 -45.46 19.02 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.545 1.938 . . . . 0.0 107.362 172.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 2.8 mm -59.37 -43.51 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 120.868 -1.145 . . . . 0.0 108.268 169.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -64.18 -32.24 73.74 Favored 'General case' 0 CA--C 1.585 2.3 0 O-C-N 121.24 -0.912 . . . . 0.0 112.8 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -70.75 -40.73 72.52 Favored 'General case' 0 N--CA 1.424 -1.754 0 C-N-CA 117.433 -1.707 . . . . 0.0 113.651 171.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.57 -23.99 66.35 Favored 'General case' 0 N--CA 1.533 3.702 0 N-CA-C 119.115 3.006 . . . . 0.0 119.115 168.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -128.35 85.31 2.32 Favored 'General case' 0 C--N 1.372 1.577 0 O-C-N 127.101 2.751 . . . . 0.0 108.305 -170.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -91.82 159.5 38.06 Favored Pre-proline 0 CA--C 1.586 2.348 0 O-C-N 127.634 3.084 . . . . 0.0 113.54 176.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -75.1 -36.06 2.71 Favored 'Trans proline' 0 CA--C 1.465 -2.964 0 C-N-CA 115.663 -2.425 . . . . 0.0 113.453 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -123.7 168.48 12.63 Favored 'General case' 0 CA--C 1.577 2.008 0 CA-C-N 121.177 1.808 . . . . 0.0 111.822 168.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 . . . . . 0 N--CA 1.512 2.647 0 O-C-N 117.812 -3.055 . . . . 0.0 109.51 161.58 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 . . . . . 0 CA--C 1.482 -1.65 0 CA-C-O 120.948 0.404 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.7 p -132.59 -42.59 0.93 Allowed 'General case' 0 N--CA 1.525 3.28 0 CA-C-N 114.518 -1.219 . . . . 0.0 112.159 176.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 49.84 -34.52 0.0 OUTLIER 'General case' 0 N--CA 1.523 3.223 1 N-CA-C 122.537 4.273 . . . . 0.0 122.537 -172.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.1 p -147.03 -37.92 0.21 Allowed 'General case' 0 C--O 1.273 2.325 0 C-N-CA 126.575 1.95 . . . . 0.0 115.347 -174.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.44 -31.05 70.99 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-O 115.558 -2.163 . . . . 0.0 113.759 -163.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -58.39 -18.59 29.1 Favored 'General case' 0 C--O 1.204 -1.295 0 CA-C-N 123.523 2.874 . . . . 0.0 110.009 176.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -93.17 -23.6 18.52 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 127.536 2.334 . . . . 0.0 112.903 -175.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.5 t -99.09 -40.68 9.15 Favored 'Isoleucine or valine' 0 C--O 1.247 0.939 0 C-N-CA 127.975 2.51 . . . . 0.0 109.28 -165.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.1 p -40.27 -38.25 0.76 Allowed 'General case' 0 C--O 1.218 -0.564 0 O-C-N 117.069 -3.52 . . . . 0.0 113.179 154.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -58.56 -24.18 60.18 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 119.88 1.218 . . . . 0.0 113.662 175.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.3 pp -104.95 17.64 5.42 Favored 'Isoleucine or valine' 0 C--O 1.26 1.612 0 O-C-N 119.084 -2.26 . . . . 0.0 113.606 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -106.73 -43.62 4.66 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.409 1.884 . . . . 0.0 111.454 161.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -59.46 61.91 0.0 OUTLIER 'General case' 0 C--N 1.28 -2.446 0 C-N-CA 130.324 3.45 . . . . 0.0 112.753 147.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -165.39 -38.9 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.107 1 CA-C-N 107.343 -4.48 . . . . 0.0 106.709 173.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.413 HD11 ' CD2' ' B' ' 20' ' ' PHE . 4.9 mt -81.44 -135.12 0.03 OUTLIER 'General case' 0 N--CA 1.524 3.246 0 C-N-CA 131.436 3.894 . . . . 0.0 110.151 -176.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.86 14.89 32.49 Favored Glycine 0 CA--C 1.555 2.552 0 O-C-N 127.885 3.24 . . . . 0.0 117.743 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -130.75 171.12 13.47 Favored 'General case' 0 C--N 1.396 2.627 0 O-C-N 125.86 1.564 . . . . 0.0 111.972 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -89.76 -70.57 0.66 Allowed 'General case' 0 C--N 1.363 1.181 0 C-N-CA 126.682 1.993 . . . . 0.0 112.317 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -65.73 -52.25 52.7 Favored 'General case' 0 CA--C 1.578 2.035 0 O-C-N 125.515 1.759 . . . . 0.0 110.331 -168.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -22.44 -34.41 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.417 0 C-N-CA 131.353 3.861 . . . . 0.0 117.137 167.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.2 pt -118.02 -14.46 9.63 Favored 'Isoleucine or valine' 0 C--O 1.263 1.806 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.8 ttp85 -63.72 -26.05 68.48 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 125.67 2.653 . . . . 0.0 111.672 161.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.2 mt -65.35 -51.62 62.18 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.294 0 O-C-N 119.004 -2.31 . . . . 0.0 112.487 167.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.455 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 29.2 mtp -83.93 -44.76 13.9 Favored 'General case' 0 C--O 1.261 1.67 0 O-C-N 119.73 -1.856 . . . . 0.0 115.562 -170.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.474 ' H ' HD12 ' A' ' 91' ' ' LEU . 8.8 tm-20 -21.39 -52.01 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 117.924 2.565 . . . . 0.0 117.924 145.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.89 -57.1 4.12 Favored 'General case' 0 N--CA 1.517 2.879 0 C-N-CA 119.565 -0.854 . . . . 0.0 112.031 179.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.425 HD22 ' H ' ' A' ' 40' ' ' ALA . 73.5 mt -52.59 -22.87 5.47 Favored 'General case' 0 C--O 1.19 -2.06 0 N-CA-C 117.04 2.237 . . . . 0.0 117.04 -173.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.256 8.5 m -74.78 -10.32 59.4 Favored 'General case' 0 C--O 1.182 -2.462 0 CA-C-N 110.889 -2.868 . . . . 0.0 112.83 177.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.2 m -140.04 -23.11 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 CA-C-N 115.248 -0.887 . . . . 0.0 112.803 -174.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.2 m -161.53 95.77 1.02 Allowed 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 124.918 2.294 . . . . 0.0 109.453 156.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -55.76 142.82 33.17 Favored 'General case' 0 N--CA 1.522 3.135 0 N-CA-C 117.537 2.421 . . . . 0.0 117.537 -176.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.425 ' H ' HD22 ' A' ' 35' ' ' LEU . . . -142.95 166.69 23.96 Favored 'General case' 0 C--N 1.421 3.681 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 173.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.5 t -96.8 154.0 17.55 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 112.019 -2.355 . . . . 0.0 110.544 169.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.6 t -12.8 -64.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.267 1.986 0 C-N-CA 130.023 3.329 . . . . 0.0 119.759 171.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.76 -40.75 93.32 Favored Glycine 0 C--O 1.276 2.758 0 N-CA-C 118.972 2.349 . . . . 0.0 118.972 171.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -89.83 -24.43 21.42 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 120.288 2.044 . . . . 0.0 105.589 -173.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.3 mt -50.84 -61.51 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.266 0 CA-C-N 118.676 0.671 . . . . 0.0 109.973 158.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.5 m -58.44 -16.28 14.37 Favored 'General case' 0 N--CA 1.424 -1.768 0 C-N-CA 129.072 2.949 . . . . 0.0 112.033 178.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -89.92 -61.03 1.78 Allowed 'General case' 0 N--CA 1.506 2.339 0 CA-C-O 114.546 -2.645 . . . . 0.0 109.128 172.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -77.23 -27.96 53.55 Favored 'General case' 0 C--N 1.285 -2.222 0 C-N-CA 128.148 2.579 . . . . 0.0 107.029 -163.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 mp -96.79 -4.45 40.48 Favored 'General case' 0 CA--C 1.558 1.265 1 O-C-N 114.836 -4.915 . . . . 0.0 108.557 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.265 30.8 m120 47.13 65.14 1.32 Allowed 'General case' 0 N--CA 1.425 -1.679 0 O-C-N 117.714 -3.117 . . . . 0.0 113.16 -174.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.9 mt -108.22 -133.25 0.33 Allowed 'General case' 0 C--N 1.391 2.39 0 CA-C-N 111.679 -2.51 . . . . 0.0 113.798 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.1 p -159.02 151.49 21.55 Favored 'General case' 0 N--CA 1.52 3.046 0 CA-C-O 117.793 -1.099 . . . . 0.0 109.02 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -60.24 -31.98 70.7 Favored 'General case' 0 N--CA 1.509 2.502 0 O-C-N 125.499 1.749 . . . . 0.0 111.288 174.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . 0.252 29.8 m -63.39 -30.46 71.58 Favored 'General case' 0 N--CA 1.525 3.299 0 C-N-CA 128.675 2.79 . . . . 0.0 110.36 170.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -80.38 -43.75 20.56 Favored 'General case' 0 CA--C 1.559 1.314 0 CA-C-O 128.303 3.906 . . . . 0.0 105.895 -171.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.469 ' C ' ' H ' ' A' ' 58' ' ' HIS . 18.7 t -91.16 -37.04 8.68 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.608 1 O-C-N 116.143 -4.098 . . . . 0.0 113.643 -158.481 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.7 m -70.75 18.73 0.06 Allowed 'General case' 0 CA--C 1.555 1.166 0 O-C-N 119.673 -1.892 . . . . 0.0 115.754 166.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.469 ' H ' ' C ' ' A' ' 56' ' ' VAL . 56.4 t-80 -122.81 -50.02 1.97 Allowed 'General case' 0 C--O 1.25 1.118 0 C-N-CA 128.064 2.546 . . . . 0.0 108.431 175.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -90.34 -41.03 11.74 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 130.048 3.339 . . . . 0.0 110.896 -171.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.9 tp -67.82 -34.77 77.4 Favored 'General case' 0 CA--C 1.56 1.361 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 171.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -65.67 -45.88 81.23 Favored 'General case' 0 C--O 1.189 -2.126 0 CA-C-O 114.618 -2.61 . . . . 0.0 113.201 170.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.44 -52.79 63.96 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 125.203 1.564 . . . . 0.0 108.899 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.2 mt -58.68 -37.54 76.27 Favored 'General case' 0 CA--C 1.475 -1.93 0 CA-C-O 126.939 3.257 . . . . 0.0 111.49 -171.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -52.77 -54.9 27.48 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 131.491 3.916 . . . . 0.0 109.155 173.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.4 m -59.57 -26.67 65.59 Favored 'General case' 0 CA--C 1.582 2.198 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 177.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.266 33.7 m -106.22 10.97 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.629 0 CA-C-O 122.929 1.347 . . . . 0.0 114.345 -175.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.7 p80 61.76 24.11 14.29 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 130.747 3.619 . . . . 0.0 116.619 173.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.3 mp -84.13 -25.28 29.8 Favored 'General case' 0 CA--C 1.499 -0.995 0 CA-C-N 112.974 -1.921 . . . . 0.0 108.291 173.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.285 2.3 t -112.45 157.43 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 130.508 3.523 . . . . 0.0 110.861 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -130.11 145.2 51.68 Favored 'General case' 0 N--CA 1.503 2.213 0 C-N-CA 127.674 2.389 . . . . 0.0 113.389 154.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.46 ' HB1' ' CE2' ' A' ' 80' ' ' TYR . . . -91.54 150.54 21.15 Favored 'General case' 0 CA--C 1.577 2.016 1 O-C-N 129.146 4.028 . . . . 0.0 114.848 165.481 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -154.5 152.52 30.19 Favored 'General case' 0 CA--C 1.494 -1.182 0 O-C-N 126.321 2.263 . . . . 0.0 113.303 163.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -91.37 140.2 30.0 Favored 'General case' 0 N--CA 1.517 2.879 0 CA-C-O 115.868 -2.015 . . . . 0.0 109.74 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -125.33 111.71 15.5 Favored 'General case' 0 C--O 1.262 1.737 0 C-N-CA 129.801 3.24 . . . . 0.0 111.388 156.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 47.38 -125.26 10.24 Favored Glycine 0 N--CA 1.504 3.176 0 CA-C-N 123.332 2.787 . . . . 0.0 113.778 -169.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -91.85 30.48 1.37 Allowed 'General case' 0 N--CA 1.52 3.027 0 CA-C-N 112.306 -1.947 . . . . 0.0 111.769 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.9 m -141.05 157.86 44.73 Favored 'General case' 0 C--O 1.252 1.206 0 O-C-N 117.586 -3.196 . . . . 0.0 112.428 166.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 28.6 mtt -105.35 148.14 27.39 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 118.125 -1.43 . . . . 0.0 108.063 160.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.5 mm -108.45 149.95 11.43 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.352 0 C-N-CA 130.537 3.535 . . . . 0.0 107.621 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.46 ' CE2' ' HB1' ' A' ' 71' ' ' ALA . 52.4 m-85 -134.99 145.95 48.6 Favored 'General case' 0 C--N 1.382 2.021 0 O-C-N 120.124 -1.61 . . . . 0.0 112.499 -173.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . 0.381 20.0 m -158.52 174.52 14.96 Favored 'General case' 0 CA--C 1.483 -1.613 0 N-CA-C 120.916 3.673 . . . . 0.0 120.916 -163.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -56.1 132.27 49.82 Favored 'General case' 0 C--N 1.309 -1.187 0 C-N-CA 127.177 2.191 . . . . 0.0 113.826 166.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.07 -56.24 18.62 Favored 'General case' 0 CA--C 1.583 2.24 0 O-C-N 118.158 -2.839 . . . . 0.0 113.247 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -151.75 -179.33 7.34 Favored 'General case' 0 C--O 1.28 2.689 0 CA-C-O 113.391 -3.195 . . . . 0.0 118.144 169.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.3 tp -60.59 -20.58 21.38 Favored 'Isoleucine or valine' 0 C--O 1.263 1.783 0 N-CA-C 118.197 2.665 . . . . 0.0 118.197 -175.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -61.86 -45.4 93.94 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 122.067 0.937 . . . . 0.0 108.784 175.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.1 p -96.2 -28.77 3.89 Favored 'Isoleucine or valine' 0 C--O 1.175 -2.844 0 CA-C-O 115.109 -2.377 . . . . 0.0 106.467 -165.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.54 -34.31 35.87 Favored 'General case' 0 N--CA 1.507 2.421 0 CA-C-N 119.76 1.164 . . . . 0.0 113.9 154.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.7 m -82.36 -45.64 14.62 Favored 'General case' 0 CA--C 1.499 -0.992 0 O-C-N 119.906 -1.746 . . . . 0.0 112.462 175.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 39.7 ttp -49.81 -58.82 4.6 Favored 'General case' 0 CA--C 1.589 2.45 0 O-C-N 118.303 -2.748 . . . . 0.0 117.029 -175.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.474 HD12 ' H ' ' A' ' 33' ' ' GLU . 4.0 tt -63.34 -44.03 96.04 Favored 'General case' 0 N--CA 1.427 -1.593 0 O-C-N 125.723 1.889 . . . . 0.0 108.84 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -66.49 -26.94 67.41 Favored 'General case' 0 N--CA 1.514 2.726 0 O-C-N 119.963 -1.711 . . . . 0.0 112.513 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -84.98 -17.22 38.29 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-N 120.657 1.571 . . . . 0.0 113.936 172.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.466 ' C ' ' H ' ' A' ' 96' ' ' HIS . . . -84.29 -45.81 12.45 Favored 'General case' 0 CA--C 1.606 3.121 0 CA-C-O 114.882 -2.485 . . . . 0.0 110.055 176.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -47.77 -8.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.392 2.425 0 C-N-CA 130.622 3.569 . . . . 0.0 114.362 160.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.466 ' H ' ' C ' ' A' ' 94' ' ' ALA . 0.8 OUTLIER -107.89 -18.64 13.75 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 125.871 1.982 . . . . 0.0 111.668 -170.043 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . 0.285 7.9 t60 -101.57 -18.01 16.11 Favored 'General case' 0 CA--C 1.559 1.317 0 O-C-N 118.002 -2.936 . . . . 0.0 113.837 169.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -44.56 -28.8 0.63 Allowed 'General case' 0 C--N 1.385 2.134 0 C-N-CA 126.658 1.983 . . . . 0.0 113.113 167.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -167.32 153.6 8.0 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 131.679 3.991 . . . . 0.0 107.484 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -122.46 71.49 37.02 Favored Pre-proline 0 CA--C 1.573 1.852 0 C-N-CA 126.213 1.805 . . . . 0.0 111.511 177.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -84.58 -164.42 0.24 Allowed 'Trans proline' 0 N--CA 1.409 -3.497 1 C-N-CA 125.999 4.466 . . . . 0.0 114.292 -165.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -137.19 146.77 45.29 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 115.315 1.598 . . . . 0.0 115.315 176.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 . . . . . 0 C--O 1.275 2.402 0 O-C-N 118.116 -2.865 . . . . 0.0 117.926 -179.069 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 m120 . . . . . 0 N--CA 1.484 1.261 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 10.6 p -115.28 -18.64 11.03 Favored 'General case' 0 CA--C 1.587 2.384 1 C-N-CA 131.717 4.007 . . . . 0.0 111.07 169.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 52.64 -31.06 0.01 OUTLIER 'General case' 1 N--CA 1.562 5.145 0 C-N-CA 130.146 3.378 . . . . 0.0 119.303 -167.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.4 p -137.13 -48.95 0.61 Allowed 'General case' 0 N--CA 1.527 3.418 0 O-C-N 118.06 -2.9 . . . . 0.0 108.717 -151.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.66 -46.95 58.74 Favored 'General case' 0 C--O 1.204 -1.312 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 170.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -63.59 2.62 0.42 Allowed 'General case' 0 C--O 1.244 0.813 0 N-CA-C 118.641 2.83 . . . . 0.0 118.641 171.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . 0.402 3.0 mmp_? -127.62 -13.58 5.34 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 126.944 2.098 . . . . 0.0 115.039 178.067 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 3.2 m -98.93 -12.15 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 117.525 2.417 . . . . 0.0 117.525 158.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.6 p -65.61 -33.94 77.07 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 119.633 -1.917 . . . . 0.0 109.731 168.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -46.34 -45.81 17.85 Favored 'General case' 0 CA--C 1.575 1.927 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 155.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 71.3 mt -82.52 -59.7 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.069 0 O-C-N 119.566 -1.958 . . . . 0.0 111.269 -172.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.413 ' CD2' HD11 ' A' ' 23' ' ' LEU . 6.3 m-30 -79.14 11.97 2.53 Favored 'General case' 0 CA--C 1.595 2.696 0 C-N-CA 124.144 0.978 . . . . 0.0 111.964 -173.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 40.9 pttt -96.41 -44.28 7.28 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-N 119.777 1.171 . . . . 0.0 114.123 152.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.29 -21.36 48.71 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 127.1 2.16 . . . . 0.0 111.271 -177.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 16.4 mt -63.57 -0.46 0.95 Allowed 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.856 2.062 . . . . 0.0 109.748 169.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.55 41.43 0.81 Allowed Glycine 0 N--CA 1.488 2.164 0 CA-C-O 114.817 -3.213 . . . . 0.0 119.858 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -164.33 119.9 1.52 Allowed 'General case' 0 CA--C 1.568 1.662 0 O-C-N 127.774 2.691 . . . . 0.0 103.752 157.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -45.4 -32.3 2.04 Favored 'General case' 0 N--CA 1.425 -1.716 0 N-CA-C 120.291 3.441 . . . . 0.0 120.291 178.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -66.19 -43.74 85.95 Favored 'General case' 0 CA--C 1.57 1.724 1 O-C-N 115.917 -4.24 . . . . 0.0 111.41 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -52.22 -36.69 52.92 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 126.703 2.001 . . . . 0.0 113.549 168.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 40.8 mm -81.74 -38.32 15.92 Favored 'Isoleucine or valine' 0 C--O 1.251 1.18 0 CA-C-O 126.601 3.096 . . . . 0.0 112.98 -175.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . 0.278 49.2 ttt-85 -67.66 -27.05 66.53 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-N 111.173 -2.739 . . . . 0.0 112.717 172.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 24.0 mt -71.75 -47.81 54.82 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 CA-C-O 113.583 -3.103 . . . . 0.0 110.065 163.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 77.5 mtm -79.49 -35.55 40.01 Favored 'General case' 0 C--N 1.376 1.731 1 CA-C-N 126.143 4.065 . . . . 0.0 116.251 -169.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.402 ' H ' HD11 ' B' ' 91' ' ' LEU . 2.1 tm-20 -26.4 -65.02 0.07 Allowed 'General case' 0 C--O 1.189 -2.113 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 139.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.44 -48.6 72.19 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-O 124.19 1.948 . . . . 0.0 113.969 -175.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.661 ' CD2' ' H ' ' B' ' 40' ' ' ALA . 92.0 mt -55.34 -26.9 43.7 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 117.969 -2.957 . . . . 0.0 117.115 177.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 1.9 p -62.54 -38.26 89.33 Favored 'General case' 0 CA--C 1.598 2.814 0 C-N-CA 131.193 3.797 . . . . 0.0 111.73 173.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . 0.295 5.6 m -91.49 -48.27 13.92 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.424 0 C-N-CA 131.346 3.858 . . . . 0.0 119.125 171.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 5.0 t -155.47 97.3 1.86 Allowed 'General case' 0 C--O 1.215 -0.75 0 O-C-N 124.721 1.263 . . . . 0.0 110.694 175.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.571 ' CD ' ' HG ' ' B' ' 81' ' ' SER . 15.3 pt-20 -44.19 136.6 3.85 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 124.231 1.967 . . . . 0.0 109.117 -178.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.661 ' H ' ' CD2' ' B' ' 35' ' ' LEU . . . -138.99 150.35 45.75 Favored 'General case' 0 CA--C 1.586 2.331 0 O-C-N 119.753 -1.842 . . . . 0.0 108.988 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . 0.279 7.5 t -93.69 164.24 13.23 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 126.797 2.039 . . . . 0.0 113.329 165.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 33.9 t -26.95 -70.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.258 1.505 0 N-CA-C 117.228 2.307 . . . . 0.0 117.228 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.18 -34.2 83.21 Favored Glycine 0 N--CA 1.486 2.001 0 C-N-CA 127.615 2.531 . . . . 0.0 112.405 -175.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -72.46 -48.32 41.87 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 119.398 -2.236 . . . . 0.0 114.508 170.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 68.9 mt -44.5 -56.63 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.372 0 O-C-N 118.465 -2.647 . . . . 0.0 107.436 172.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 63.4 m -56.71 -25.28 53.94 Favored 'General case' 0 N--CA 1.518 2.961 0 CA-C-N 112.828 -1.987 . . . . 0.0 116.28 -171.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -82.59 -62.15 1.69 Allowed 'General case' 0 C--O 1.282 2.809 0 C-N-CA 130.356 3.462 . . . . 0.0 108.321 171.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -68.18 -36.71 80.03 Favored 'General case' 0 N--CA 1.492 1.638 1 O-C-N 115.713 -4.367 . . . . 0.0 112.164 -167.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 6.1 mp -103.87 -2.46 26.21 Favored 'General case' 0 CA--C 1.609 3.244 0 C-N-CA 123.583 0.753 . . . . 0.0 109.036 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 29.9 m120 70.03 61.58 0.24 Allowed 'General case' 0 N--CA 1.467 0.392 1 O-C-N 113.606 -5.684 . . . . 0.0 111.765 167.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 13.9 mt -132.61 164.04 27.56 Favored 'General case' 0 N--CA 1.537 3.88 0 CA-C-O 114.667 -2.587 . . . . 0.0 115.344 171.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 89.2 p -74.28 148.01 41.83 Favored 'General case' 0 CA--C 1.494 -1.21 0 CA-C-N 121.403 1.91 . . . . 0.0 112.525 174.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -68.66 -38.48 80.45 Favored 'General case' 0 CA--C 1.475 -1.929 0 CA-C-N 120.089 1.313 . . . . 0.0 107.47 -168.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.7 p -80.45 -2.34 45.41 Favored 'General case' 0 N--CA 1.432 -1.325 0 O-C-N 120.026 -1.671 . . . . 0.0 111.231 -176.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -82.88 -24.87 33.0 Favored 'General case' 0 C--O 1.263 1.775 0 O-C-N 117.01 -3.556 . . . . 0.0 114.513 151.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . 0.379 13.3 t -86.62 -25.81 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 N-CA-C 115.308 1.596 . . . . 0.0 115.308 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 25.6 m -69.11 16.22 0.05 Allowed 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 114.168 -3.013 . . . . 0.0 117.668 157.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -132.23 -46.17 0.92 Allowed 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 116.57 -1.681 . . . . 0.0 110.107 173.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -57.12 -48.35 78.87 Favored 'General case' 0 C--O 1.185 -2.334 0 CA-C-O 126.675 3.131 . . . . 0.0 116.195 174.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.459 HD22 ' CG ' ' B' ' 80' ' ' TYR . 9.9 tp -55.38 -54.06 48.36 Favored 'General case' 0 C--O 1.255 1.376 0 CA-C-N 112.355 -2.202 . . . . 0.0 111.055 171.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -63.92 -25.79 68.3 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 128.132 2.573 . . . . 0.0 113.341 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.47 -53.03 8.12 Favored 'General case' 0 CA--C 1.569 1.675 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 173.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 18.2 mt -64.56 -34.67 78.78 Favored 'General case' 0 CA--C 1.569 1.689 0 O-C-N 119.104 -2.247 . . . . 0.0 110.579 -167.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 50.2 tttt -58.73 -49.92 75.81 Favored 'General case' 0 CA--C 1.579 2.082 1 CA-C-N 108.244 -4.071 . . . . 0.0 110.364 173.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 4.7 m -78.22 6.01 9.06 Favored 'General case' 0 C--N 1.277 -2.552 0 O-C-N 126.421 2.326 . . . . 0.0 114.56 173.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 1.3 m -117.3 11.52 7.3 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 O-C-N 127.013 2.696 . . . . 0.0 113.415 158.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . 0.564 4.6 m80 70.93 13.88 6.96 Favored 'General case' 0 C--O 1.208 -1.131 0 N-CA-C 117.969 2.581 . . . . 0.0 117.969 170.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 19.3 mt -85.64 -15.94 40.79 Favored 'General case' 0 CA--C 1.572 1.795 1 CA-C-O 128.506 4.003 . . . . 0.0 113.895 175.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.61 162.35 38.79 Favored 'Isoleucine or valine' 0 C--O 1.284 2.885 1 C-N-CA 131.872 4.069 . . . . 0.0 107.359 -171.464 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -139.01 153.79 48.17 Favored 'General case' 0 CA--C 1.57 1.734 0 CA-C-O 124.671 2.176 . . . . 0.0 109.964 162.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . 0.455 ' HB1' ' CE2' ' B' ' 80' ' ' TYR . . . -98.03 127.71 44.14 Favored 'General case' 0 C--N 1.389 2.304 0 O-C-N 118.423 -2.673 . . . . 0.0 109.55 164.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -123.62 152.34 42.04 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 106.549 -1.649 . . . . 0.0 106.549 169.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -103.0 144.55 31.12 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 125.733 1.896 . . . . 0.0 112.971 -171.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -152.25 111.65 3.91 Favored 'General case' 0 N--CA 1.5 2.036 0 C-N-CA 125.922 1.689 . . . . 0.0 111.464 176.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 57.69 -134.29 52.4 Favored Glycine 0 CA--C 1.484 -1.876 0 CA-C-N 119.909 1.231 . . . . 0.0 114.868 -174.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -68.24 -15.13 63.45 Favored 'General case' 0 CA--C 1.598 2.798 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 96.4 p -130.93 -178.84 4.99 Favored 'General case' 0 C--O 1.268 2.065 0 N-CA-C 116.634 2.087 . . . . 0.0 116.634 -171.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 15.4 mtt -121.24 146.12 47.14 Favored 'General case' 0 C--N 1.364 1.211 0 C-N-CA 125.731 1.612 . . . . 0.0 111.009 178.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.9 mm -99.55 143.32 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.583 0 C-N-CA 128.882 2.873 . . . . 0.0 103.368 174.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . 0.459 ' CG ' HD22 ' B' ' 60' ' ' LEU . 46.2 m-85 -122.14 130.76 53.52 Favored 'General case' 0 C--O 1.266 1.955 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.571 ' HG ' ' CD ' ' B' ' 39' ' ' GLU . 14.9 m -143.99 154.75 43.6 Favored 'General case' 0 N--CA 1.499 2.003 0 C-N-CA 126.566 1.946 . . . . 0.0 109.296 -169.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 81.2 mt -62.26 151.86 35.17 Favored 'General case' 0 CA--C 1.574 1.873 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 177.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -70.65 -39.77 73.44 Favored 'General case' 0 C--O 1.276 2.453 1 O-C-N 115.747 -4.346 . . . . 0.0 110.033 -164.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . 0.255 3.0 p30 -159.6 172.98 16.8 Favored 'General case' 1 N--CA 1.541 4.1 0 C-N-CA 126.451 1.9 . . . . 0.0 112.142 162.252 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -10.22 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.925 0 N-CA-C 120.882 3.66 . . . . 0.0 120.882 176.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -68.74 -57.47 5.6 Favored 'General case' 0 N--CA 1.414 -2.253 0 O-C-N 120.091 -1.631 . . . . 0.0 108.842 -173.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . 0.4 HG12 ' H ' ' B' ' 87' ' ' VAL . 1.4 m -79.57 -12.66 13.21 Favored 'Isoleucine or valine' 0 C--O 1.256 1.415 0 O-C-N 119.408 -2.057 . . . . 0.0 109.464 -174.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.78 -37.76 71.54 Favored 'General case' 0 CA--C 1.573 1.864 0 O-C-N 117.689 -3.132 . . . . 0.0 113.399 160.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 6.9 m -97.27 -31.27 12.5 Favored 'General case' 0 N--CA 1.415 -2.201 0 CA-C-O 113.399 -3.191 . . . . 0.0 108.445 -169.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -47.81 -65.26 0.6 Allowed 'General case' 0 C--O 1.279 2.625 0 O-C-N 125.629 1.83 . . . . 0.0 110.586 155.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.402 HD11 ' H ' ' B' ' 33' ' ' GLU . 7.0 tt -62.94 -48.41 79.02 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-O 114.88 -2.486 . . . . 0.0 109.116 -171.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -45.56 -41.57 10.05 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-N 123.377 2.808 . . . . 0.0 110.742 173.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -89.7 -19.77 24.41 Favored 'General case' 0 CA--C 1.578 2.021 0 CA-C-N 112.871 -1.968 . . . . 0.0 114.28 -174.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.26 -41.52 80.99 Favored 'General case' 0 C--O 1.203 -1.356 0 O-C-N 119.031 -2.293 . . . . 0.0 109.989 164.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mm -57.6 -47.94 84.3 Favored 'Isoleucine or valine' 0 CA--C 1.605 3.059 0 N-CA-C 102.851 -3.018 . . . . 0.0 102.851 167.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -68.64 -30.02 68.64 Favored 'General case' 0 C--O 1.267 1.988 0 CA-C-O 116.194 -1.86 . . . . 0.0 114.317 -166.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -77.49 -5.96 51.83 Favored 'General case' 0 C--O 1.284 2.911 0 CA-C-O 124.033 1.873 . . . . 0.0 114.157 175.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . 0.252 . . -109.57 -5.73 15.61 Favored 'General case' 0 C--O 1.199 -1.568 0 C-N-CA 126.682 1.993 . . . . 0.0 115.452 167.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -130.34 75.68 1.67 Allowed 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 127.816 2.446 . . . . 0.0 108.257 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -89.03 151.11 46.53 Favored Pre-proline 0 C--N 1.316 -0.874 0 C-N-CA 117.032 -1.867 . . . . 0.0 109.43 -172.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -70.24 -20.66 32.29 Favored 'Trans proline' 0 N--CA 1.5 1.857 0 C-N-CA 122.418 2.079 . . . . 0.0 113.435 -177.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -147.23 157.54 43.63 Favored 'General case' 0 N--CA 1.515 2.818 0 C-N-CA 130.253 3.421 . . . . 0.0 110.572 174.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 . . . . . 0 N--CA 1.475 0.798 0 C-N-CA 127.443 2.297 . . . . 0.0 112.978 -170.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 17.7 m120 . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 117.364 -1.303 . . . . 0.0 107.73 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.9 p -143.15 -36.14 0.38 Allowed 'General case' 0 C--O 1.207 -1.166 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 174.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 53.62 -52.03 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.376 1 C-N-CA 132.134 4.174 . . . . 0.0 117.465 174.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 58.3 p -125.78 -35.02 2.55 Favored 'General case' 0 C--O 1.189 -2.126 1 C-N-CA 132.385 4.274 . . . . 0.0 113.317 -175.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -57.4 -29.53 64.18 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 126.458 1.903 . . . . 0.0 114.369 -160.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -79.91 6.62 10.71 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 127.59 2.356 . . . . 0.0 112.213 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -124.32 -3.12 7.98 Favored 'General case' 0 N--CA 1.423 -1.809 0 C-N-CA 126.122 1.769 . . . . 0.0 112.079 160.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.0 t -90.85 -38.53 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 CA-C-O 116.285 -1.817 . . . . 0.0 110.563 172.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.2 p -43.39 -39.63 3.3 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-N 123.066 2.666 . . . . 0.0 108.746 161.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -69.66 -22.77 63.42 Favored 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 130.094 3.358 . . . . 0.0 111.587 -169.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.38 2.2 pp -100.39 8.87 8.4 Favored 'Isoleucine or valine' 0 C--N 1.369 1.423 0 N-CA-C 116.622 2.082 . . . . 0.0 116.622 165.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -101.73 -35.17 9.17 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 119.085 2.995 . . . . 0.0 119.085 165.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -68.05 48.58 0.05 Allowed 'General case' 0 N--CA 1.49 1.529 1 C-N-CA 132.719 4.408 . . . . 0.0 112.02 152.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -155.55 -30.64 0.1 Allowed 'General case' 0 C--O 1.177 -2.758 1 O-C-N 131.266 5.354 . . . . 0.0 112.497 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.4 mt -86.38 -109.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 130.634 3.574 . . . . 0.0 109.839 -172.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.81 -32.53 0.01 OUTLIER Glycine 0 C--N 1.387 3.411 1 C-N-CA 131.034 4.159 . . . . 0.0 122.016 171.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -108.29 -174.47 2.53 Favored 'General case' 0 C--N 1.4 2.765 0 C-N-CA 124.236 1.014 . . . . 0.0 113.233 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -107.63 -65.88 1.07 Allowed 'General case' 0 N--CA 1.426 -1.667 0 C-N-CA 127.927 2.491 . . . . 0.0 112.475 -156.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -70.77 -39.17 73.39 Favored 'General case' 0 C--O 1.17 -3.085 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -169.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -25.07 -37.59 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.964 1 C-N-CA 131.944 4.098 . . . . 0.0 118.199 167.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.323 1.5 pt -123.43 -14.68 5.81 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.103 1 C-N-CA 132.814 4.446 . . . . 0.0 112.745 -175.532 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -60.25 -26.01 66.12 Favored 'General case' 0 N--CA 1.494 1.743 1 CA-C-O 111.354 -4.165 . . . . 0.0 108.346 153.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.5 mt -75.5 -48.58 30.11 Favored 'Isoleucine or valine' 0 C--N 1.348 0.527 0 N-CA-C 118.202 2.667 . . . . 0.0 118.202 163.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . 0.275 25.7 mtp -67.26 -40.06 86.18 Favored 'General case' 0 CA--C 1.599 2.848 0 O-C-N 119.793 -1.817 . . . . 0.0 115.201 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.463 ' H ' HD12 ' A' ' 91' ' ' LEU . 0.5 OUTLIER -28.55 -47.6 0.05 Allowed 'General case' 0 CA--C 1.487 -1.443 0 O-C-N 117.141 -3.475 . . . . 0.0 118.683 149.715 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.498 ' C ' ' H ' ' A' ' 36' ' ' SER . 2.1 tm? -81.76 -30.09 32.55 Favored 'General case' 0 C--O 1.198 -1.612 0 C-N-CA 125.187 1.395 . . . . 0.0 113.744 177.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 39' ' ' GLU . 49.8 mt -72.87 -6.59 46.06 Favored 'General case' 0 C--O 1.176 -2.813 0 CA-C-O 123.648 1.69 . . . . 0.0 109.154 177.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.498 ' H ' ' C ' ' A' ' 34' ' ' LEU 0.314 5.7 m -80.47 -15.23 57.24 Favored 'General case' 0 C--N 1.271 -2.844 0 C-N-CA 131.386 3.874 . . . . 0.0 114.586 179.855 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.6 m -138.95 -43.74 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.25 1.087 0 C-N-CA 129.169 2.988 . . . . 0.0 115.349 -167.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.2 m -155.6 78.45 1.0 Allowed 'General case' 0 C--O 1.198 -1.644 0 C-N-CA 126.891 2.076 . . . . 0.0 112.44 -179.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 35' ' ' LEU . 25.3 pt-20 -67.39 146.15 54.33 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 120.315 3.45 . . . . 0.0 120.315 -166.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.38 172.63 13.21 Favored 'General case' 0 N--CA 1.423 -1.824 0 N-CA-C 118.503 2.779 . . . . 0.0 118.503 -170.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.4 t -100.8 155.63 17.81 Favored 'General case' 0 C--O 1.21 -0.994 0 C-N-CA 128.665 2.786 . . . . 0.0 108.854 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.0 t -28.61 -56.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.261 1.665 0 C-N-CA 131.003 3.721 . . . . 0.0 115.146 172.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.22 -40.47 61.17 Favored Glycine 0 N--CA 1.429 -1.785 0 O-C-N 117.912 -2.992 . . . . 0.0 113.705 -176.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -70.92 -41.27 71.42 Favored 'General case' 0 N--CA 1.515 2.792 0 O-C-N 119.145 -2.386 . . . . 0.0 112.927 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.6 mt -50.19 -65.27 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.513 2.678 0 C-N-CA 128.563 2.745 . . . . 0.0 105.374 169.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.8 m -55.02 -13.46 1.14 Allowed 'General case' 0 N--CA 1.502 2.172 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 -171.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -92.68 -55.95 3.19 Favored 'General case' 0 N--CA 1.514 2.726 0 CA-C-O 125.541 2.591 . . . . 0.0 114.669 161.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -64.56 -41.73 96.12 Favored 'General case' 0 N--CA 1.399 -2.986 1 O-C-N 115.693 -4.379 . . . . 0.0 111.811 -171.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mp -96.31 3.86 52.7 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-N 114.369 -1.287 . . . . 0.0 109.729 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 m120 44.34 62.04 2.16 Favored 'General case' 0 C--O 1.265 1.882 0 N-CA-C 116.542 2.053 . . . . 0.0 116.542 -174.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.398 35.9 mt -95.35 -143.0 0.26 Allowed 'General case' 0 C--N 1.384 2.084 0 N-CA-C 117.981 2.586 . . . . 0.0 117.981 173.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 98.3 p -135.78 153.51 51.51 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 118.68 -2.513 . . . . 0.0 110.967 157.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -52.48 -48.53 65.86 Favored 'General case' 0 C--O 1.193 -1.872 0 CA-C-N 118.69 0.677 . . . . 0.0 109.806 171.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.84 -35.43 32.43 Favored 'General case' 0 C--N 1.369 1.448 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 174.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -74.43 -47.89 30.92 Favored 'General case' 0 C--O 1.269 2.088 0 C-N-CA 115.857 -2.337 . . . . 0.0 115.937 170.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.437 ' C ' ' H ' ' A' ' 58' ' ' HIS . 11.3 t -89.25 -26.92 5.35 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.227 0 N-CA-C 114.501 1.296 . . . . 0.0 114.501 -166.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.0 m -69.24 11.19 0.24 Allowed 'General case' 0 N--CA 1.501 2.105 0 CA-C-O 124.837 2.256 . . . . 0.0 112.314 161.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.437 ' H ' ' C ' ' A' ' 56' ' ' VAL . 23.9 t-80 -124.36 -42.79 2.09 Favored 'General case' 0 CA--C 1.553 1.068 1 O-C-N 116.282 -4.011 . . . . 0.0 110.063 179.296 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -92.54 -38.45 11.92 Favored 'General case' 0 N--CA 1.53 3.546 0 N-CA-C 115.697 1.739 . . . . 0.0 115.697 -174.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 tp -56.13 -42.14 76.45 Favored 'General case' 0 C--O 1.197 -1.679 0 CA-C-O 116.047 -1.93 . . . . 0.0 110.549 160.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . 0.306 72.7 tttt -65.14 -40.97 95.14 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 124.922 1.389 . . . . 0.0 114.47 176.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.27 -63.33 1.34 Allowed 'General case' 0 C--O 1.192 -1.921 0 N-CA-C 103.887 -2.635 . . . . 0.0 103.887 175.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.7 mt -58.2 -33.99 69.88 Favored 'General case' 0 CA--C 1.572 1.82 0 CA-C-O 124.527 2.108 . . . . 0.0 113.229 -169.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -65.71 -45.65 81.95 Favored 'General case' 0 N--CA 1.509 2.493 0 CA-C-N 109.552 -3.477 . . . . 0.0 111.943 176.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.2 m -62.37 -11.47 15.73 Favored 'General case' 0 C--O 1.255 1.381 0 C-N-CA 125.983 1.713 . . . . 0.0 113.159 168.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.258 27.0 m -117.73 16.74 7.26 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.415 0 CA-C-N 120.198 1.363 . . . . 0.0 109.208 175.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.302 9.8 p80 47.48 25.23 0.59 Allowed 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 118.329 2.715 . . . . 0.0 118.329 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.3 mp -82.39 -27.25 32.19 Favored 'General case' 0 C--N 1.371 1.526 0 CA-C-O 115.412 -2.233 . . . . 0.0 105.937 160.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.0 t -111.32 161.85 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.254 0 O-C-N 128.1 3.375 . . . . 0.0 110.858 174.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.446 ' HE2' ' HA ' ' A' ' 83' ' ' ASP . 24.1 ttpt -148.06 140.55 24.45 Favored 'General case' 0 C--O 1.266 1.943 1 O-C-N 129.226 4.079 . . . . 0.0 109.152 178.072 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -106.3 162.97 13.21 Favored 'General case' 0 C--N 1.286 -2.18 0 C-N-CA 127.983 2.513 . . . . 0.0 114.174 172.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -140.23 149.47 42.92 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 131.468 3.907 . . . . 0.0 105.293 168.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -80.17 131.41 35.71 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 126.818 2.047 . . . . 0.0 116.278 163.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -126.19 108.49 11.36 Favored 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 119.025 -1.07 . . . . 0.0 110.092 150.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 59.75 -139.37 48.51 Favored Glycine 0 CA--C 1.569 3.442 0 O-C-N 120.808 -1.182 . . . . 0.0 116.045 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -57.98 12.4 0.01 OUTLIER 'General case' 0 CA--C 1.625 3.834 0 N-CA-C 116.245 1.943 . . . . 0.0 116.245 174.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.0 m -151.04 154.93 37.97 Favored 'General case' 0 N--CA 1.503 2.219 0 CA-C-N 123.162 2.71 . . . . 0.0 108.133 -163.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 26.3 mmt -107.04 139.26 41.72 Favored 'General case' 0 N--CA 1.382 -3.84 0 O-C-N 119.872 -1.767 . . . . 0.0 106.933 175.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 48.5 mm -122.87 115.16 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.222 0 CA-C-O 114.745 -2.55 . . . . 0.0 105.822 -171.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -110.1 146.37 35.53 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 123.17 2.714 . . . . 0.0 111.145 -158.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.407 ' HG ' ' CD ' ' A' ' 39' ' ' GLU . 74.4 m -142.42 165.18 28.11 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 128.224 2.61 . . . . 0.0 113.619 -159.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.67 150.38 12.61 Favored 'General case' 0 N--CA 1.443 -0.777 0 O-C-N 119.789 -1.819 . . . . 0.0 112.821 150.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.446 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 27.7 t70 -73.15 -46.0 53.43 Favored 'General case' 0 CA--C 1.567 1.631 0 C-N-CA 118.76 -1.176 . . . . 0.0 113.464 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -160.48 179.47 8.59 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 130.922 3.689 . . . . 0.0 114.207 176.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.5 tp -64.83 -22.99 32.48 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.199 0 O-C-N 120.318 -1.489 . . . . 0.0 112.999 -170.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -73.35 -47.31 43.37 Favored 'General case' 0 N--CA 1.509 2.487 0 O-C-N 124.418 1.074 . . . . 0.0 108.821 -173.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.84 -38.2 36.31 Favored 'Isoleucine or valine' 0 C--O 1.247 0.953 0 CA-C-N 114.446 -1.252 . . . . 0.0 113.717 171.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.77 1.08 3.56 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 117.72 -3.113 . . . . 0.0 112.987 172.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.1 m -100.92 -41.23 6.9 Favored 'General case' 0 C--O 1.194 -1.844 0 CA-C-N 122.095 2.225 . . . . 0.0 108.934 165.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 29.6 ttp -65.28 -38.5 90.46 Favored 'General case' 0 C--O 1.294 3.41 0 C-N-CA 125.428 1.491 . . . . 0.0 111.008 -167.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.463 HD12 ' H ' ' A' ' 33' ' ' GLU . 7.5 tt -74.15 -47.91 32.8 Favored 'General case' 0 N--CA 1.519 3.016 0 O-C-N 117.238 -3.414 . . . . 0.0 107.687 172.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -51.09 -52.18 46.13 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 117.758 -1.577 . . . . 0.0 111.767 175.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -82.86 -3.52 56.95 Favored 'General case' 0 C--O 1.181 -2.513 0 C-N-CA 123.49 0.716 . . . . 0.0 111.598 -168.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -81.17 -47.73 13.05 Favored 'General case' 0 C--N 1.366 1.311 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 153.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -59.26 -18.91 15.04 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.341 0 CA-C-O 126.159 2.885 . . . . 0.0 112.189 178.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -31.68 28.91 Favored 'General case' 0 N--CA 1.514 2.765 0 C-N-CA 127.595 2.358 . . . . 0.0 115.579 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -82.65 -7.5 59.64 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 117.355 2.354 . . . . 0.0 117.355 168.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.31 -51.6 68.84 Favored 'General case' 0 C--O 1.197 -1.685 0 CA-C-O 115.495 -2.193 . . . . 0.0 110.796 -173.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -128.51 156.29 43.5 Favored 'General case' 0 CA--C 1.565 1.552 0 N-CA-C 118.332 2.715 . . . . 0.0 118.332 163.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -125.7 72.36 68.24 Favored Pre-proline 0 CA--C 1.601 2.906 0 CA-C-N 112.916 -1.947 . . . . 0.0 114.712 165.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -82.57 175.21 9.06 Favored 'Trans proline' 0 N--CA 1.509 2.431 0 N-CA-C 108.743 -1.291 . . . . 0.0 108.743 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -66.43 113.48 4.71 Favored 'General case' 0 C--N 1.369 1.421 0 O-C-N 119.653 -1.904 . . . . 0.0 114.073 164.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . 0.417 16.5 pt-20 . . . . . 0 CA--C 1.479 -1.76 0 C-N-CA 127.781 2.432 . . . . 0.0 116.218 -166.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 . . . . . 0 N--CA 1.517 2.921 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.527 ' C ' ' H ' ' B' ' 12' ' ' THR . 12.3 p -137.89 -15.36 1.35 Allowed 'General case' 0 C--O 1.258 1.539 0 N-CA-C 117.533 2.42 . . . . 0.0 117.533 -170.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 54.67 -24.85 0.01 OUTLIER 'General case' 0 CA--C 1.585 2.305 0 CA-C-O 115.766 -2.064 . . . . 0.0 114.827 -164.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.527 ' H ' ' C ' ' B' ' 10' ' ' THR . 40.8 p -122.03 -67.95 0.93 Allowed 'General case' 0 N--CA 1.424 -1.767 0 N-CA-C 105.063 -2.199 . . . . 0.0 105.063 -161.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.442 ' C ' ' H ' ' B' ' 15' ' ' ARG . 0.3 OUTLIER -54.96 -55.08 34.68 Favored 'General case' 1 C--O 1.134 -4.994 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -175.017 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -70.21 9.52 0.57 Allowed 'General case' 0 N--CA 1.515 2.808 0 O-C-N 124.778 1.299 . . . . 0.0 113.343 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.442 ' H ' ' C ' ' B' ' 13' ' ' LEU . 4.2 mmp_? -132.27 -11.49 3.23 Favored 'General case' 0 C--N 1.36 1.043 0 CA-C-O 114.787 -2.53 . . . . 0.0 111.853 175.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . 0.28 2.2 m -81.39 -14.49 12.53 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.664 0 N-CA-C 118.008 2.596 . . . . 0.0 118.008 149.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . 0.262 18.9 p -54.74 -43.36 72.6 Favored 'General case' 0 N--CA 1.516 2.848 0 N-CA-C 104.587 -2.375 . . . . 0.0 104.587 177.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -48.54 -37.88 18.95 Favored 'General case' 0 C--O 1.208 -1.115 0 C-N-CA 126.716 2.006 . . . . 0.0 115.391 168.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 19.3 mt -93.31 -44.19 13.71 Favored 'Isoleucine or valine' 0 C--O 1.267 2.009 0 CA-C-N 121.239 1.836 . . . . 0.0 108.88 -168.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . 0.256 1.5 m-30 -80.68 0.75 33.0 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 126.227 2.204 . . . . 0.0 108.779 -162.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -108.33 -27.43 9.99 Favored 'General case' 0 C--N 1.289 -2.049 0 N-CA-C 116.508 2.04 . . . . 0.0 116.508 155.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . 0.307 . . -69.03 -18.92 64.09 Favored 'General case' 0 N--CA 1.534 3.76 1 O-C-N 116.243 -4.036 . . . . 0.0 114.24 172.51 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 34.7 mt -58.25 -17.63 20.66 Favored 'General case' 0 N--CA 1.512 2.626 0 C-N-CA 126.277 1.831 . . . . 0.0 115.592 162.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.95 25.48 0.09 OUTLIER Glycine 0 N--CA 1.505 3.296 0 C-N-CA 129.852 3.596 . . . . 0.0 117.093 -166.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -145.13 123.99 12.68 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 123.454 3.627 . . . . 0.0 113.706 165.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -44.29 -38.39 3.84 Favored 'General case' 0 N--CA 1.513 2.724 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 171.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -56.65 -47.19 80.31 Favored 'General case' 0 N--CA 1.412 -2.365 0 CA-C-N 121.288 1.858 . . . . 0.0 111.53 171.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -66.15 -15.41 63.1 Favored 'General case' 0 N--CA 1.521 3.076 0 O-C-N 125.651 1.844 . . . . 0.0 109.149 -172.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 20.8 mm -107.28 -42.82 6.4 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.991 0 O-C-N 120.755 -1.216 . . . . 0.0 111.511 -169.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 62.7 ttt-85 -62.31 -23.28 66.65 Favored 'General case' 0 CA--C 1.586 2.35 0 CA-C-N 113.929 -1.487 . . . . 0.0 113.249 168.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 52.1 mt -68.69 -72.03 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.259 1.584 0 O-C-N 127.965 3.291 . . . . 0.0 110.299 162.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 45.4 mtm -65.22 -34.64 78.86 Favored 'General case' 0 C--O 1.192 -1.965 0 CA-C-N 122.253 2.297 . . . . 0.0 113.213 -169.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.406 ' H ' HD11 ' B' ' 91' ' ' LEU . 4.1 tm-20 -33.54 -56.56 0.44 Allowed 'General case' 0 CA--C 1.602 2.954 0 CA-C-N 122.568 2.44 . . . . 0.0 114.818 153.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.39 -44.14 79.62 Favored 'General case' 0 CA--C 1.574 1.89 0 CA-C-O 123.27 1.51 . . . . 0.0 109.545 -177.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.571 ' CD2' ' H ' ' B' ' 40' ' ' ALA . 87.2 mt -66.51 -18.69 65.5 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 127.483 3.516 . . . . 0.0 116.679 -175.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' SER . . . . . 0.412 ' OG ' ' HE3' ' B' ' 92' ' ' LYS . 2.1 p -70.15 -18.75 63.23 Favored 'General case' 0 C--O 1.265 1.913 0 CA-C-N 109.288 -3.597 . . . . 0.0 114.103 169.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 12.3 m -119.49 -32.13 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.572 1.811 0 CA-C-N 121.495 1.952 . . . . 0.0 112.831 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -158.49 127.4 5.53 Favored 'General case' 0 CA--C 1.469 -2.15 0 CA-C-O 125.269 2.462 . . . . 0.0 113.451 154.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -61.99 152.81 31.29 Favored 'General case' 0 CA--C 1.583 2.241 0 O-C-N 116.904 -3.622 . . . . 0.0 112.632 -170.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.571 ' H ' ' CD2' ' B' ' 35' ' ' LEU . . . -160.68 166.05 29.47 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 122.688 2.495 . . . . 0.0 115.458 160.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 38.7 t -92.13 157.88 16.49 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 117.622 2.452 . . . . 0.0 117.622 175.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 59.4 t -24.74 -56.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.506 2.35 0 N-CA-C 117.682 2.475 . . . . 0.0 117.682 175.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.64 -52.89 42.41 Favored Glycine 0 C--O 1.186 -2.892 0 CA-C-O 117.661 -1.633 . . . . 0.0 110.731 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -77.56 -38.88 47.59 Favored 'General case' 0 N--CA 1.421 -1.89 0 N-CA-C 116.528 2.048 . . . . 0.0 116.528 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 66.5 mt -47.01 -49.9 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 CA-C-O 122.219 1.009 . . . . 0.0 108.651 170.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -47.11 -38.68 11.85 Favored 'General case' 0 C--O 1.278 2.596 0 CA-C-O 125.739 2.685 . . . . 0.0 115.017 173.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -79.89 -54.36 5.89 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 119.638 -1.914 . . . . 0.0 108.078 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -61.8 -21.38 64.54 Favored 'General case' 0 N--CA 1.504 2.239 0 C-N-CA 129.139 2.976 . . . . 0.0 116.925 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 7.9 mp -121.05 -0.03 10.1 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 120.879 1.672 . . . . 0.0 113.106 176.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . 0.258 13.0 m120 59.49 55.89 3.94 Favored 'General case' 0 CA--C 1.585 2.301 0 C-N-CA 126.763 2.025 . . . . 0.0 113.978 -171.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 65.4 mt -126.42 176.19 7.32 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.779 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 25.8 p -110.6 146.57 35.89 Favored 'General case' 0 C--O 1.254 1.324 0 O-C-N 120.709 -1.244 . . . . 0.0 112.769 -177.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -58.73 -32.89 69.63 Favored 'General case' 0 N--CA 1.423 -1.807 1 O-C-N 115.755 -4.34 . . . . 0.0 114.033 -174.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 89.9 p -63.34 -36.98 85.5 Favored 'General case' 0 N--CA 1.521 3.107 0 N-CA-C 120.283 3.438 . . . . 0.0 120.283 160.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -83.22 -31.23 27.14 Favored 'General case' 0 N--CA 1.528 3.452 0 O-C-N 120.686 -1.259 . . . . 0.0 112.248 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.469 ' C ' ' H ' ' B' ' 58' ' ' HIS . 95.7 t -74.23 -35.61 40.92 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.572 0 CA-C-O 116.79 -1.576 . . . . 0.0 111.197 170.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 68.0 m -58.16 -1.85 0.15 Allowed 'General case' 0 C--N 1.396 2.593 0 CA-C-N 124.793 3.451 . . . . 0.0 113.21 169.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . 0.469 ' H ' ' C ' ' B' ' 56' ' ' VAL . 55.6 t-80 -112.22 -39.24 4.5 Favored 'General case' 0 C--O 1.264 1.826 0 C-N-CA 126.703 2.001 . . . . 0.0 110.678 175.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -79.14 -50.1 11.55 Favored 'General case' 0 C--O 1.244 0.773 0 O-C-N 120.196 -1.565 . . . . 0.0 107.65 -171.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.7 tp -59.69 -45.27 92.62 Favored 'General case' 0 C--N 1.281 -2.379 0 CA-C-O 115.792 -2.051 . . . . 0.0 110.859 169.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -41.47 85.14 Favored 'General case' 0 C--O 1.204 -1.315 0 CA-C-N 121.612 2.005 . . . . 0.0 109.055 -176.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.412 ' CD1' ' C ' ' B' ' 62' ' ' LEU . 0.8 OUTLIER -60.02 -53.0 62.99 Favored 'General case' 0 C--N 1.282 -2.349 0 CA-C-N 122.044 2.202 . . . . 0.0 111.579 175.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 34.6 mt -58.41 -42.84 88.12 Favored 'General case' 0 N--CA 1.508 2.452 0 CA-C-O 124.983 2.325 . . . . 0.0 107.759 -177.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -56.24 -44.14 79.34 Favored 'General case' 0 CA--C 1.56 1.343 0 CA-C-N 112.965 -1.925 . . . . 0.0 109.99 175.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.6 m -69.85 -27.53 64.92 Favored 'General case' 0 C--O 1.268 2.041 0 CA-C-N 111.827 -2.442 . . . . 0.0 115.964 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 27.5 m -102.59 16.74 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.07 0 O-C-N 121.789 -0.57 . . . . 0.0 111.765 175.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . 0.331 6.2 m80 60.6 14.68 5.11 Favored 'General case' 0 C--O 1.199 -1.577 1 N-CA-C 123.568 4.655 . . . . 0.0 123.568 171.723 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 3.6 mt -77.95 -30.81 50.6 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-O 124.158 1.933 . . . . 0.0 110.171 171.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 t -108.59 155.91 9.37 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.473 0 C-N-CA 127.581 2.352 . . . . 0.0 111.097 173.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -129.68 135.75 48.88 Favored 'General case' 0 N--CA 1.527 3.397 0 C-N-CA 128.456 2.702 . . . . 0.0 109.33 172.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.86 135.0 35.07 Favored 'General case' 0 C--O 1.179 -2.639 0 CA-C-O 122.903 1.335 . . . . 0.0 108.792 149.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -127.58 147.8 50.35 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-O 122.987 1.375 . . . . 0.0 108.664 169.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 53.4 mtt-85 -98.58 127.38 44.49 Favored 'General case' 0 N--CA 1.518 2.969 1 O-C-N 116.007 -4.183 . . . . 0.0 107.892 -167.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -163.35 133.9 4.53 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 128.559 2.744 . . . . 0.0 106.651 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.32 -143.84 45.02 Favored Glycine 0 C--O 1.295 3.929 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 172.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . 0.272 23.9 mp0 -95.3 -19.53 19.91 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 118.52 -2.753 . . . . 0.0 115.003 -173.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 86.0 p -112.78 -179.91 3.79 Favored 'General case' 0 C--N 1.312 -1.061 2 O-C-N 115.828 -4.295 . . . . 0.0 111.94 174.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 41.2 mtt -109.03 126.54 53.24 Favored 'General case' 0 N--CA 1.41 -2.44 0 N-CA-C 106.549 -1.648 . . . . 0.0 106.549 175.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 28.3 mm -77.86 145.62 9.62 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.515 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.564 173.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -120.26 137.29 54.31 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 126.993 3.283 . . . . 0.0 108.611 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -138.86 167.89 21.02 Favored 'General case' 0 CA--C 1.569 1.703 0 C-N-CA 127.003 2.121 . . . . 0.0 111.128 -174.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 mp -64.26 148.24 50.63 Favored 'General case' 0 N--CA 1.429 -1.497 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 163.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -52.99 -53.4 50.52 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 116.058 1.873 . . . . 0.0 116.058 166.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 28.4 p30 -154.63 -179.7 8.23 Favored 'General case' 0 C--N 1.365 1.266 0 CA-C-O 125.893 2.758 . . . . 0.0 115.825 156.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.9 pp -54.89 -22.19 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 CA-C-O 113.822 -2.99 . . . . 0.0 114.504 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 57.9 m170 -50.96 -64.91 0.66 Allowed 'General case' 0 C--O 1.274 2.389 0 CA-C-N 123.237 2.744 . . . . 0.0 109.526 178.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 4.3 m -77.45 -16.39 14.35 Favored 'Isoleucine or valine' 0 C--N 1.405 2.985 0 C-N-CA 128.764 2.825 . . . . 0.0 109.421 -176.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.29 -29.52 61.68 Favored 'General case' 0 CA--C 1.591 2.535 1 CA-C-N 126.481 4.218 . . . . 0.0 111.164 162.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 31.1 m -79.66 -42.71 24.22 Favored 'General case' 0 N--CA 1.501 2.1 0 C-N-CA 126.842 2.057 . . . . 0.0 107.95 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . 0.412 3.2 tmm? -56.8 -51.79 67.58 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-O 115.657 -2.116 . . . . 0.0 114.855 163.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.406 HD11 ' H ' ' B' ' 33' ' ' GLU . 7.4 tt -62.7 -39.86 95.35 Favored 'General case' 0 CA--C 1.468 -2.193 0 N-CA-C 117.635 2.457 . . . . 0.0 117.635 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.412 ' HE3' ' OG ' ' B' ' 36' ' ' SER . 52.8 mttt -59.95 -44.25 94.5 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 117.574 -1.203 . . . . 0.0 111.848 177.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -71.71 -20.89 61.85 Favored 'General case' 0 N--CA 1.502 2.136 0 N-CA-C 118.281 2.697 . . . . 0.0 118.281 173.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.94 -50.77 69.52 Favored 'General case' 0 CA--C 1.57 1.729 1 C-N-CA 134.767 5.227 . . . . 0.0 109.866 162.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 mm -66.4 -36.3 77.0 Favored 'Isoleucine or valine' 0 N--CA 1.53 3.55 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 174.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -65.4 -38.76 90.93 Favored 'General case' 0 CA--C 1.575 1.919 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -176.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -71.25 -11.61 61.01 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 119.728 -0.789 . . . . 0.0 112.621 177.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -102.26 -29.85 11.44 Favored 'General case' 0 N--CA 1.51 2.571 0 C-N-CA 128.065 2.546 . . . . 0.0 108.728 -175.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -110.52 74.76 0.89 Allowed 'General case' 0 C--N 1.355 0.83 0 C-N-CA 130.928 3.691 . . . . 0.0 112.691 177.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -82.1 130.61 59.43 Favored Pre-proline 0 CA--C 1.579 2.066 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . 0.282 25.7 Cg_exo -59.37 -25.24 77.77 Favored 'Trans proline' 0 N--CA 1.493 1.472 1 C-N-CA 129.002 6.468 . . . . 0.0 109.759 -176.028 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -131.84 152.33 51.08 Favored 'General case' 0 CA--C 1.58 2.129 0 C-N-CA 127.782 2.433 . . . . 0.0 108.259 168.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 . . . . . 0 N--CA 1.534 3.756 0 C-N-CA 128.169 2.588 . . . . 0.0 111.114 169.021 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 62.6 p . . . . . 0 CA--C 1.482 -1.658 0 CA-C-O 111.826 -3.94 . . . . 0.0 115.459 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 56.7 -40.16 0.03 OUTLIER 'General case' 0 C--O 1.265 1.882 0 C-N-CA 130.377 3.471 . . . . 0.0 118.668 -175.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 p -150.04 -18.25 0.25 Allowed 'General case' 0 C--O 1.245 0.838 0 C-N-CA 126.144 1.778 . . . . 0.0 113.236 -171.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . 0.273 1.0 OUTLIER -61.51 -35.79 78.69 Favored 'General case' 0 CA--C 1.583 2.243 0 CA-C-O 125.72 2.676 . . . . 0.0 116.48 -163.903 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -82.5 -18.71 40.63 Favored 'General case' 0 N--CA 1.512 2.655 0 CA-C-N 109.199 -3.637 . . . . 0.0 108.531 -176.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -74.44 -9.7 58.85 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-O 114.874 -2.489 . . . . 0.0 111.583 161.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.469 HG22 ' CB ' ' B' ' 98' ' ' ALA . 48.5 t -94.06 -33.22 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.314 0 CA-C-N 121.376 1.898 . . . . 0.0 113.334 173.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.47 ' HA ' ' CD2' ' A' ' 20' ' ' PHE . 66.9 p -57.32 -28.98 63.56 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 118.888 -2.383 . . . . 0.0 111.578 158.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -68.39 -11.66 59.96 Favored 'General case' 0 N--CA 1.407 -2.624 0 CA-C-N 122.189 2.268 . . . . 0.0 114.374 173.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.391 0.0 OUTLIER -102.06 -4.36 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.916 0 CA-C-N 120.869 1.668 . . . . 0.0 114.092 161.771 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.47 ' CD2' ' HA ' ' A' ' 17' ' ' THR . 17.4 m-85 -85.68 -36.19 20.41 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 170.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -71.95 60.81 0.4 Allowed 'General case' 0 C--N 1.284 -2.267 0 C-N-CA 131.336 3.855 . . . . 0.0 108.57 160.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -168.69 -14.03 0.02 OUTLIER 'General case' 0 CA--C 1.583 2.224 1 CA-C-N 107.563 -4.38 . . . . 0.0 108.89 174.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 20' ' ' PHE . 66.2 mt -104.96 -131.83 0.3 Allowed 'General case' 0 C--O 1.265 1.917 1 C-N-CA 132.105 4.162 . . . . 0.0 110.041 -172.814 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.26 -0.44 53.88 Favored Glycine 1 N--CA 1.539 5.554 0 N-CA-C 119.868 2.707 . . . . 0.0 119.868 164.243 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -144.92 161.45 39.29 Favored 'General case' 0 C--O 1.174 -2.877 0 C-N-CA 125.379 1.471 . . . . 0.0 107.7 -173.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -81.83 -75.73 0.28 Allowed 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 117.698 -1.144 . . . . 0.0 113.764 -170.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -65.9 -39.09 90.28 Favored 'General case' 0 CA--C 1.578 2.04 0 CA-C-O 114.477 -2.678 . . . . 0.0 110.365 -170.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -22.6 -41.26 0.0 OUTLIER 'General case' 0 CA--C 1.562 1.437 0 C-N-CA 127.671 2.388 . . . . 0.0 115.173 164.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.6 pt -114.58 -11.01 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.248 0 C-N-CA 125.39 1.476 . . . . 0.0 112.925 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.8 ttp85 -71.87 -29.62 64.57 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 127.497 2.319 . . . . 0.0 112.771 163.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.3 mt -58.41 -52.89 53.75 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.095 0 C-N-CA 129.501 3.12 . . . . 0.0 108.289 164.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.567 ' HG2' HD12 ' A' ' 35' ' ' LEU . 70.5 mtm -79.54 -41.06 28.12 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 114.445 -1.252 . . . . 0.0 113.16 -165.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -22.2 -64.82 0.03 OUTLIER 'General case' 0 N--CA 1.532 3.667 0 CA-C-N 120.943 1.701 . . . . 0.0 115.361 144.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.3 -49.65 68.7 Favored 'General case' 0 CA--C 1.607 3.167 0 CA-C-N 118.074 0.397 . . . . 0.0 111.983 177.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.567 HD12 ' HG2' ' A' ' 32' ' ' MET . 24.1 mt -50.73 -26.1 5.16 Favored 'General case' 0 C--O 1.188 -2.164 0 O-C-N 117.303 -3.373 . . . . 0.0 109.876 171.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.3 1.4 m -71.84 -0.79 12.1 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 117.717 2.488 . . . . 0.0 117.717 172.203 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.0 m -130.56 -39.07 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.377 1.798 0 C-N-CA 126.741 2.016 . . . . 0.0 114.644 161.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.02 147.54 47.99 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 116.145 -1.884 . . . . 0.0 109.818 175.299 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -88.83 125.0 34.71 Favored 'General case' 0 N--CA 1.496 1.829 1 C-N-CA 133.944 4.897 . . . . 0.0 115.023 -178.375 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -141.37 154.12 45.46 Favored 'General case' 0 CA--C 1.573 1.84 0 C-N-CA 116.534 -2.066 . . . . 0.0 110.49 -175.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.0 t -115.58 159.71 20.93 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 115.089 -2.386 . . . . 0.0 117.115 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.5 t -8.73 -64.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 C-N-CA 128.713 2.805 . . . . 0.0 117.018 173.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.6 -45.75 74.46 Favored Glycine 0 C--N 1.381 3.034 0 C-N-CA 117.56 -2.257 . . . . 0.0 113.909 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -74.41 -31.4 62.31 Favored 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 117.112 2.264 . . . . 0.0 117.112 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.0 mt -57.71 -56.21 16.88 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.615 0 CA-C-N 121.897 2.135 . . . . 0.0 107.138 166.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.2 m -51.79 -27.29 11.8 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 125.18 1.392 . . . . 0.0 113.492 174.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -82.19 -59.3 2.6 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 118.735 -2.478 . . . . 0.0 111.223 167.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -68.34 -34.83 76.8 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 127.069 2.148 . . . . 0.0 112.302 -170.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 mp -100.36 5.03 44.34 Favored 'General case' 0 CA--C 1.582 2.189 0 CA-C-N 124.901 3.5 . . . . 0.0 112.987 176.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.1 m120 48.49 62.42 2.56 Favored 'General case' 0 CA--C 1.58 2.119 0 C-N-CA 129.207 3.003 . . . . 0.0 111.945 -170.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.6 mt -108.85 -152.46 0.49 Allowed 'General case' 0 N--CA 1.502 2.135 0 C-N-CA 126.18 1.792 . . . . 0.0 110.926 -172.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.4 p -146.58 154.15 41.17 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.644 -1.285 . . . . 0.0 112.833 174.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -81.96 -34.92 29.53 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-N 120.796 1.635 . . . . 0.0 114.642 -163.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 p -48.85 -50.99 32.11 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 119.977 -1.702 . . . . 0.0 115.406 160.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -63.8 -50.65 68.16 Favored 'General case' 0 C--O 1.175 -2.846 0 N-CA-C 119.732 3.234 . . . . 0.0 119.732 172.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.6 t -65.86 -36.91 78.65 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.973 0 O-C-N 119.192 -2.193 . . . . 0.0 112.107 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.7 m -60.57 6.88 0.03 OUTLIER 'General case' 0 N--CA 1.515 2.816 0 CA-C-O 114.411 -2.709 . . . . 0.0 112.754 165.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -122.98 -34.94 3.09 Favored 'General case' 0 C--O 1.285 2.958 0 CA-C-N 122.265 2.302 . . . . 0.0 107.893 168.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -86.32 -45.13 11.52 Favored 'General case' 0 CA--C 1.566 1.578 0 CA-C-O 115.426 -2.226 . . . . 0.0 114.373 -175.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.5 tp -54.22 -38.11 65.34 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.331 1.453 . . . . 0.0 113.847 166.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -70.44 -52.02 25.16 Favored 'General case' 0 C--O 1.171 -3.053 0 CA-C-O 113.559 -3.115 . . . . 0.0 110.804 171.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.424 ' C ' HD13 ' A' ' 62' ' ' LEU . 1.7 tm? -49.96 -54.76 17.84 Favored 'General case' 0 N--CA 1.509 2.488 1 CA-C-N 126.213 4.097 . . . . 0.0 111.188 172.92 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . 0.267 21.2 mt -65.81 -36.83 84.62 Favored 'General case' 0 N--CA 1.422 -1.825 0 C-N-CA 123.007 0.523 . . . . 0.0 111.724 -170.196 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -54.52 -54.53 39.94 Favored 'General case' 0 N--CA 1.51 2.527 0 O-C-N 128.909 3.881 . . . . 0.0 112.335 168.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.3 4.96 7.76 Favored 'General case' 0 N--CA 1.504 2.245 0 N-CA-C 118.724 2.861 . . . . 0.0 118.724 173.199 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.5 m -124.27 18.14 4.63 Favored 'Isoleucine or valine' 0 C--O 1.262 1.723 0 O-C-N 126.734 2.521 . . . . 0.0 115.079 166.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.353 4.0 p80 58.3 25.92 13.33 Favored 'General case' 0 C--N 1.357 0.916 0 CA-C-O 112.683 -3.532 . . . . 0.0 113.436 171.157 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.0 mp -89.0 -12.98 39.9 Favored 'General case' 0 N--CA 1.418 -2.069 0 CA-C-N 124.362 3.256 . . . . 0.0 112.384 160.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 t -125.65 150.41 30.95 Favored 'Isoleucine or valine' 0 C--O 1.179 -2.638 0 CA-C-N 113.668 -1.605 . . . . 0.0 110.267 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -140.1 128.34 22.49 Favored 'General case' 0 CA--C 1.606 3.124 0 C-N-CA 130.803 3.641 . . . . 0.0 110.187 169.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.06 163.77 23.92 Favored 'General case' 0 CA--C 1.566 1.579 0 CA-C-O 124.694 2.188 . . . . 0.0 108.296 175.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -143.69 125.06 14.69 Favored 'General case' 0 N--CA 1.482 1.153 1 O-C-N 115.115 -4.741 . . . . 0.0 113.192 162.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 . . . . . 0 CA--C 1.474 -1.958 0 C-N-CA 126.684 1.994 . . . . 0.0 108.272 -172.997 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 14.4 mtt . . . . . 0 CA--C 1.563 1.47 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.5 mm -71.85 149.41 9.35 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.267 0 C-N-CA 126.536 1.934 . . . . 0.0 107.608 160.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -134.52 159.71 40.3 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 172.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.2 m -148.19 166.15 28.76 Favored 'General case' 0 C--O 1.267 2.01 0 C-N-CA 127.755 2.422 . . . . 0.0 109.802 -163.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.32 161.12 0.99 Allowed 'General case' 0 C--N 1.38 1.916 0 CA-C-N 120.957 1.708 . . . . 0.0 111.682 151.324 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -75.41 -48.1 24.42 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 114.53 1.308 . . . . 0.0 114.53 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.402 ' OD1' ' HB2' ' A' ' 86' ' ' HIS . 13.6 p30 -150.43 -175.99 5.31 Favored 'General case' 0 CA--C 1.582 2.186 0 CA-C-O 124.791 2.234 . . . . 0.0 111.707 164.017 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.2 tp -71.38 -14.0 17.39 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.476 0 C-N-CA 128.031 2.532 . . . . 0.0 108.449 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.402 ' HB2' ' OD1' ' A' ' 84' ' ' ASP . 23.5 m170 -65.11 -58.5 5.89 Favored 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 125.204 1.402 . . . . 0.0 112.165 169.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.449 HG12 ' H ' ' A' ' 87' ' ' VAL 0.277 0.5 OUTLIER -65.83 -40.68 88.33 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.21 0 C-N-CA 126.755 2.022 . . . . 0.0 113.49 176.736 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.48 -29.7 17.32 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 162.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . 0.281 36.6 m -84.89 -34.43 22.58 Favored 'General case' 0 CA--C 1.604 3.044 0 O-C-N 119.157 -2.214 . . . . 0.0 116.395 175.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.1 ttt -53.3 -63.99 0.97 Allowed 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 126.463 2.352 . . . . 0.0 111.943 167.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.486 ' CD1' ' HB2' ' A' ' 32' ' ' MET 0.265 4.1 tt -68.05 -37.1 80.93 Favored 'General case' 0 CA--C 1.575 1.916 0 CA-C-O 115.304 -2.284 . . . . 0.0 110.523 -171.882 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -73.07 -33.44 65.65 Favored 'General case' 0 N--CA 1.529 3.494 0 CA-C-N 123.428 2.831 . . . . 0.0 109.0 177.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -73.6 -17.24 61.2 Favored 'General case' 0 C--O 1.188 -2.147 0 CA-C-N 122.524 2.42 . . . . 0.0 115.764 172.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.407 ' C ' ' H ' ' A' ' 96' ' ' HIS . . . -79.09 -45.66 19.62 Favored 'General case' 0 CA--C 1.569 1.711 0 CA-C-O 123.695 1.712 . . . . 0.0 108.743 177.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.548 HD11 HD22 ' B' ' 13' ' ' LEU . 0.4 OUTLIER -67.37 11.75 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 C-N-CA 130.044 3.338 . . . . 0.0 108.785 172.373 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.407 ' H ' ' C ' ' A' ' 94' ' ' ALA . 2.2 m-70 -120.1 -27.35 5.33 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 116.455 -3.903 . . . . 0.0 114.594 169.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -92.95 -11.86 32.25 Favored 'General case' 0 CA--C 1.496 -1.123 0 O-C-N 119.492 -2.005 . . . . 0.0 111.535 174.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.52 ' HB2' ' CG1' ' B' ' 16' ' ' VAL . . . -61.16 -44.03 97.96 Favored 'General case' 0 CA--C 1.607 3.159 0 CA-C-N 120.026 1.284 . . . . 0.0 111.525 173.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 41.3 p-10 -136.04 155.53 50.08 Favored 'General case' 0 C--O 1.191 -2.013 0 O-C-N 117.667 -3.146 . . . . 0.0 107.727 170.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -132.81 69.69 79.17 Favored Pre-proline 0 C--O 1.19 -2.049 0 C-N-CA 126.357 1.863 . . . . 0.0 113.47 -175.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo . . . . . 0 C--N 1.362 1.273 0 O-C-N 117.945 -1.66 . . . . 0.0 115.805 -170.83 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 30.8 p . . . . . 0 N--CA 1.531 3.603 0 N-CA-C 118.776 2.88 . . . . 0.0 118.776 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 63.77 -53.79 0.23 Allowed 'General case' 0 C--N 1.289 -2.025 1 C-N-CA 133.153 4.581 . . . . 0.0 114.42 -176.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.2 p -95.58 -71.72 0.66 Allowed 'General case' 0 CA--C 1.563 1.477 0 C-N-CA 128.663 2.785 . . . . 0.0 107.293 -155.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.548 HD22 HD11 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -32.87 -56.67 0.38 Allowed 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 128.896 2.878 . . . . 0.0 112.716 168.472 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -69.61 0.89 4.72 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 126.183 1.793 . . . . 0.0 113.725 -173.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.505 ' HB2' ' HB1' ' A' ' 98' ' ' ALA . 2.3 mmp_? -124.48 -21.57 4.86 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 128.709 2.804 . . . . 0.0 112.613 173.203 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.52 ' CG1' ' HB2' ' A' ' 98' ' ' ALA . 17.0 m -95.08 -14.0 8.11 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.467 0 CA-C-N 123.499 2.863 . . . . 0.0 115.031 173.126 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.3 p -43.79 -45.92 7.49 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 122.495 2.407 . . . . 0.0 112.554 165.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -52.23 -39.45 60.31 Favored 'General case' 0 C--N 1.287 -2.142 0 CA-C-O 115.644 -2.122 . . . . 0.0 112.285 169.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 20.8 mt -72.45 -49.02 44.8 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.667 0 CA-C-O 115.97 -1.967 . . . . 0.0 110.186 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -88.81 -4.89 58.38 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 120.807 1.639 . . . . 0.0 112.064 -153.284 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 pttm -88.43 -39.7 14.06 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 153.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.22 -15.26 22.9 Favored 'General case' 0 N--CA 1.529 3.525 0 O-C-N 118.667 -2.52 . . . . 0.0 115.012 175.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 54.5 mt -65.59 -24.66 67.13 Favored 'General case' 0 C--N 1.383 2.046 0 CA-C-O 123.534 1.635 . . . . 0.0 111.699 177.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.27 43.63 0.1 OUTLIER Glycine 0 N--CA 1.502 3.058 1 N-CA-C 123.956 4.342 . . . . 0.0 123.956 -161.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -155.04 138.07 15.53 Favored 'General case' 0 C--N 1.359 1.019 1 CA-C-O 129.442 4.449 . . . . 0.0 107.094 167.146 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -69.84 -26.28 64.14 Favored 'General case' 0 N--CA 1.411 -2.4 0 O-C-N 118.365 -2.709 . . . . 0.0 105.837 -166.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -72.54 -51.02 21.69 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 127.658 2.383 . . . . 0.0 107.73 -173.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -46.56 -51.59 15.24 Favored 'General case' 0 CA--C 1.496 -1.121 0 C-N-CA 128.38 2.672 . . . . 0.0 112.076 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 mm -88.11 -31.45 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 CA-C-N 113.121 -1.854 . . . . 0.0 108.909 -165.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 46.1 ttt-85 -58.31 -26.97 63.66 Favored 'General case' 0 C--N 1.399 2.749 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.694 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.442 ' O ' ' HG ' ' B' ' 35' ' ' LEU . 5.9 mt -72.83 -38.18 56.65 Favored 'Isoleucine or valine' 0 C--O 1.288 3.101 0 O-C-N 126.527 2.392 . . . . 0.0 111.942 174.255 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' MET . . . . . 0.427 ' HB2' HD11 ' B' ' 91' ' ' LEU . 62.9 mtm -84.96 -42.1 15.25 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 118.773 2.879 . . . . 0.0 118.773 -178.003 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLU . . . . . 0.428 ' H ' ' CD2' ' B' ' 91' ' ' LEU . 1.5 tm-20 -5.01 -70.88 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.73 0 N-CA-C 116.683 2.105 . . . . 0.0 116.683 130.351 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.434 HD13 ' N ' ' B' ' 35' ' ' LEU . 0.2 OUTLIER -72.78 -53.36 11.77 Favored 'General case' 0 N--CA 1.429 -1.516 0 O-C-N 118.313 -2.742 . . . . 0.0 110.259 -175.104 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' B' ' 31' ' ' ILE . 85.1 mt -47.07 -38.56 11.44 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 116.968 -3.582 . . . . 0.0 113.764 177.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' SER . . . . . 0.415 ' HB3' HD11 ' B' ' 82' ' ' LEU . 3.4 p -63.1 -17.19 62.03 Favored 'General case' 0 C--N 1.276 -2.625 0 C-N-CA 130.679 3.592 . . . . 0.0 114.787 176.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 23.6 m -114.86 -30.63 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 N-CA-C 116.915 2.191 . . . . 0.0 116.915 165.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 49.8 m -159.71 131.36 6.17 Favored 'General case' 0 N--CA 1.392 -3.325 0 C-N-CA 127.887 2.475 . . . . 0.0 112.734 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . 0.269 15.5 mt-10 -84.37 140.82 31.31 Favored 'General case' 0 N--CA 1.514 2.767 0 O-C-N 118.155 -2.841 . . . . 0.0 111.767 -171.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -139.8 154.52 47.39 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-N 110.422 -3.081 . . . . 0.0 111.575 168.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . 0.294 21.9 t -90.77 159.25 16.41 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 116.187 -1.864 . . . . 0.0 111.747 170.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 52.7 t -19.12 -58.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.363 1.194 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 168.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.79 -38.31 76.31 Favored Glycine 0 CA--C 1.553 2.426 0 C-N-CA 117.653 -2.213 . . . . 0.0 117.101 -176.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -72.46 -35.72 68.31 Favored 'General case' 0 C--O 1.162 -3.518 0 O-C-N 118.213 -2.934 . . . . 0.0 112.84 174.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.71 -45.43 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.685 0 C-N-CA 130.004 3.322 . . . . 0.0 103.47 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 65.5 m -59.1 -40.68 86.06 Favored 'General case' 0 N--CA 1.499 1.988 0 CA-C-O 118.047 -0.978 . . . . 0.0 111.358 175.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -70.85 -58.41 3.64 Favored 'General case' 0 N--CA 1.504 2.236 0 N-CA-C 115.841 1.793 . . . . 0.0 115.841 172.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -48.91 -41.28 33.16 Favored 'General case' 0 C--N 1.257 -3.421 0 C-N-CA 126.643 1.977 . . . . 0.0 112.101 173.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.434 HD21 ' HA ' ' B' ' 31' ' ' ILE . 6.1 mp -117.71 7.54 12.55 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.636 -1.29 . . . . 0.0 111.042 -166.258 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . 0.251 33.9 m120 66.71 30.12 8.3 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 125.749 1.62 . . . . 0.0 114.25 174.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 18.4 mt -106.66 157.82 17.42 Favored 'General case' 0 N--CA 1.531 3.622 0 CA-C-N 121.343 1.883 . . . . 0.0 106.709 -172.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -73.58 144.19 46.11 Favored 'General case' 0 CA--C 1.577 1.995 0 C-N-CA 124.903 1.281 . . . . 0.0 108.797 175.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -67.29 -28.5 68.06 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.577 -0.702 . . . . 0.0 111.469 172.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 74.1 m -67.2 -46.06 75.01 Favored 'General case' 0 N--CA 1.508 2.428 0 CA-C-O 124.399 2.047 . . . . 0.0 110.088 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -64.84 -55.6 18.52 Favored 'General case' 0 CA--C 1.496 -1.106 0 C-N-CA 127.252 2.221 . . . . 0.0 110.478 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 58.7 t -64.04 -35.83 74.85 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 CA-C-N 121.675 2.034 . . . . 0.0 108.131 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.1 m -51.37 -5.18 0.03 OUTLIER 'General case' 0 C--O 1.261 1.702 0 CA-C-N 123.419 2.827 . . . . 0.0 115.656 167.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -128.55 -33.43 2.09 Favored 'General case' 1 CA--C 1.669 5.556 0 C-N-CA 126.64 1.976 . . . . 0.0 113.277 174.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -66.98 -40.08 87.33 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 121.257 1.844 . . . . 0.0 113.857 168.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.0 tp -66.25 -38.07 87.01 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.409 -0.807 . . . . 0.0 110.119 177.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -72.5 -34.41 67.61 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 126.179 2.895 . . . . 0.0 115.355 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.539 HD13 ' C ' ' B' ' 62' ' ' LEU 0.266 1.5 tm? -63.16 -48.73 77.19 Favored 'General case' 0 CA--C 1.599 2.836 0 O-C-N 118.724 -2.485 . . . . 0.0 111.403 167.906 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.469 ' N ' HD13 ' B' ' 62' ' ' LEU . 68.2 mt -59.84 -37.66 79.88 Favored 'General case' 0 C--O 1.264 1.834 0 O-C-N 119.209 -2.182 . . . . 0.0 113.113 -178.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -58.02 -55.6 32.78 Favored 'General case' 0 C--O 1.178 -2.669 0 CA-C-N 110.415 -3.084 . . . . 0.0 108.951 171.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.8 m -64.11 -10.03 20.08 Favored 'General case' 0 CA--C 1.583 2.244 0 C-N-CA 126.536 1.935 . . . . 0.0 115.095 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . 0.256 3.6 m -107.8 6.5 9.61 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.656 0 CA-C-O 123.942 1.83 . . . . 0.0 111.2 163.078 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . 0.266 85.2 m-70 64.4 18.0 11.09 Favored 'General case' 0 C--O 1.264 1.839 0 C-N-CA 126.086 1.754 . . . . 0.0 115.183 166.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 4.5 mp -72.36 -24.02 61.21 Favored 'General case' 0 N--CA 1.53 3.527 0 CA-C-O 118.103 -0.951 . . . . 0.0 109.738 158.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 t -116.58 151.98 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.824 0 CA-C-O 123.233 1.492 . . . . 0.0 108.75 -174.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . 0.311 0.1 OUTLIER -137.92 134.56 35.12 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 112.71 -2.041 . . . . 0.0 115.699 165.915 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.89 148.42 27.7 Favored 'General case' 0 CA--C 1.582 2.203 0 C-N-CA 126.268 1.827 . . . . 0.0 108.857 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 41.0 pttt . . . . . 0 N--CA 1.473 0.724 0 N-CA-C 115.929 1.826 . . . . 0.0 115.929 161.581 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 22.4 ttm . . . . . 0 C--O 1.257 1.456 0 CA-C-O 117.032 -1.461 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 31.9 mm -73.31 148.38 8.89 Favored 'Isoleucine or valine' 1 N--CA 1.539 4.003 0 O-C-N 127.593 3.058 . . . . 0.0 107.388 175.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -122.42 150.87 41.88 Favored 'General case' 0 CA--C 1.465 -2.303 0 O-C-N 117.094 -3.504 . . . . 0.0 112.534 168.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 60.6 p -158.85 -179.81 8.4 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 117.967 -2.958 . . . . 0.0 111.372 -166.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' B' ' 36' ' ' SER . 21.0 mt -85.47 137.66 32.75 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 117.043 -3.536 . . . . 0.0 110.572 173.157 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -51.85 -56.04 16.38 Favored 'General case' 0 C--O 1.182 -2.499 0 CA-C-O 114.104 -2.855 . . . . 0.0 115.309 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 18.5 p30 -156.87 173.8 16.45 Favored 'General case' 0 CA--C 1.6 2.884 0 C-N-CA 126.842 2.057 . . . . 0.0 111.587 166.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 2.8 pp -58.36 -16.63 7.92 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.038 0 O-C-N 126.526 2.391 . . . . 0.0 114.76 -171.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -56.2 -68.74 0.18 Allowed 'General case' 0 C--O 1.189 -2.086 0 CA-C-O 125.511 2.577 . . . . 0.0 109.81 -177.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . 0.307 0.9 OUTLIER -76.81 -16.06 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 N-CA-C 119.381 3.104 . . . . 0.0 119.381 -177.145 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.01 -35.41 80.13 Favored 'General case' 0 C--N 1.308 -1.209 0 C-N-CA 124.439 1.095 . . . . 0.0 111.953 162.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 10.4 m -81.49 -31.91 32.68 Favored 'General case' 0 CA--C 1.574 1.883 0 C-N-CA 128.472 2.709 . . . . 0.0 111.25 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' MET . . . . . 0.417 ' C ' ' SD ' ' B' ' 90' ' ' MET . 13.4 tmm? -61.17 -52.7 63.74 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 118.648 -2.532 . . . . 0.0 109.839 169.227 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.428 ' CD2' ' H ' ' B' ' 33' ' ' GLU . 6.8 tt -68.89 -40.25 79.32 Favored 'General case' 0 C--N 1.392 2.438 0 C-N-CA 126.64 1.976 . . . . 0.0 110.467 -174.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -52.51 -40.65 62.65 Favored 'General case' 0 N--CA 1.52 3.068 0 O-C-N 120.197 -1.564 . . . . 0.0 113.917 167.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -84.9 -17.78 36.76 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 -170.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.34 -39.56 74.63 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 167.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.417 HD12 HG21 ' A' ' 16' ' ' VAL . 1.3 mp -66.18 -34.26 69.01 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.606 0 C-N-CA 127.668 2.387 . . . . 0.0 108.485 170.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -78.95 -39.34 34.78 Favored 'General case' 0 C--O 1.177 -2.721 0 O-C-N 119.828 -1.795 . . . . 0.0 107.73 -171.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . 0.261 3.7 t60 -62.86 -32.53 73.78 Favored 'General case' 0 N--CA 1.423 -1.803 0 CA-C-O 124.742 2.21 . . . . 0.0 114.334 174.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.469 ' CB ' HG22 ' A' ' 16' ' ' VAL . . . -86.27 -9.73 55.91 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 119.353 3.094 . . . . 0.0 119.353 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -131.19 47.73 2.5 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 29.2 m170 . . . . . 0 CA--C 1.564 1.483 0 CA-C-N 120.456 1.48 . . . . 0.0 112.196 -178.673 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.488 1.441 0 N-CA-C 118.403 2.742 . . . . 0.0 118.403 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 46.11 -38.76 0.0 OUTLIER 'General case' 0 C--N 1.38 1.924 1 C-N-CA 134.893 5.277 . . . . 0.0 114.666 173.102 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.4 p -151.12 -20.57 0.21 Allowed 'General case' 0 CA--C 1.593 2.599 0 O-C-N 116.73 -3.731 . . . . 0.0 111.999 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -53.01 -26.59 15.99 Favored 'General case' 0 N--CA 1.525 3.278 1 N-CA-C 122.555 4.28 . . . . 0.0 122.555 -170.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.294 22.9 mt-10 -70.21 -28.18 65.08 Favored 'General case' 0 C--O 1.276 2.498 0 O-C-N 117.459 -3.275 . . . . 0.0 116.391 164.557 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -72.66 -17.51 61.64 Favored 'General case' 0 N--CA 1.413 -2.299 0 CA-C-O 115.055 -2.402 . . . . 0.0 110.835 171.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.45 HG12 ' CE2' ' A' ' 20' ' ' PHE . 61.2 t -90.43 -46.23 14.86 Favored 'Isoleucine or valine' 0 CA--C 1.471 -2.084 0 C-N-CA 126.779 2.032 . . . . 0.0 113.323 176.575 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.4 p -56.0 -27.81 54.56 Favored 'General case' 0 N--CA 1.518 2.942 0 CA-C-N 119.492 1.042 . . . . 0.0 111.382 165.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -56.15 -22.51 29.07 Favored 'General case' 0 N--CA 1.506 2.346 1 CA-C-O 111.401 -4.142 . . . . 0.0 114.539 166.208 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.274 2.6 pp -113.18 26.79 3.23 Favored 'Isoleucine or valine' 0 C--O 1.275 2.429 0 O-C-N 126.38 2.3 . . . . 0.0 113.091 168.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.45 ' CE2' HG12 ' A' ' 16' ' ' VAL 0.307 12.4 m-85 -113.75 -28.66 7.36 Favored 'General case' 0 CA--C 1.585 2.29 0 CA-C-N 123.117 2.689 . . . . 0.0 111.413 167.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -57.17 43.91 0.0 OUTLIER 'General case' 1 CA--C 1.644 4.588 1 C-N-CA 134.792 5.237 . . . . 0.0 110.205 148.909 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -166.17 -8.18 0.02 OUTLIER 'General case' 0 C--O 1.279 2.608 0 C-N-CA 128.734 2.814 . . . . 0.0 107.644 -170.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.7 mt -107.54 -127.76 0.26 Allowed 'General case' 0 C--O 1.262 1.712 0 C-N-CA 128.354 2.662 . . . . 0.0 104.668 -174.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.3 15.52 70.24 Favored Glycine 0 C--N 1.385 3.287 0 CA-C-O 117.898 -1.501 . . . . 0.0 114.68 161.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -149.7 161.86 41.37 Favored 'General case' 0 CA--C 1.585 2.316 0 CA-C-N 121.303 2.551 . . . . 0.0 107.549 -176.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -91.52 -65.74 0.98 Allowed 'General case' 0 C--N 1.353 0.729 0 CA-C-N 125.649 3.841 . . . . 0.0 115.436 -175.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -54.02 -50.91 65.58 Favored 'General case' 0 N--CA 1.413 -2.31 0 CA-C-N 124.644 3.384 . . . . 0.0 109.469 -177.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -12.91 -54.82 0.0 OUTLIER 'General case' 0 C--N 1.394 2.507 0 C-N-CA 131.465 3.906 . . . . 0.0 117.062 160.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.2 pt -98.23 -11.22 8.65 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.856 0 O-C-N 126.97 2.669 . . . . 0.0 114.905 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.495 ' HA ' HD21 ' B' ' 13' ' ' LEU . 24.7 ttp85 -84.75 -19.86 31.98 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-O 126.197 2.903 . . . . 0.0 110.731 176.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.6 mt -72.95 -34.9 47.43 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.288 0 CA-C-N 111.958 -2.383 . . . . 0.0 108.559 167.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.438 ' HB3' ' CD1' ' A' ' 91' ' ' LEU . 55.3 mtm -90.58 -37.98 13.46 Favored 'General case' 0 C--O 1.199 -1.567 0 O-C-N 118.186 -2.821 . . . . 0.0 115.843 -170.6 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -30.63 -37.21 0.02 OUTLIER 'General case' 0 N--CA 1.536 3.868 0 C-N-CA 131.533 3.933 . . . . 0.0 112.259 138.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.374 0.5 OUTLIER -87.49 -54.25 4.38 Favored 'General case' 0 C--O 1.253 1.259 0 CA-C-O 113.69 -3.052 . . . . 0.0 113.444 -179.116 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.414 ' CD2' ' H ' ' A' ' 40' ' ' ALA 0.29 26.2 mt -52.58 -19.14 2.11 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-N 122.7 2.5 . . . . 0.0 116.05 170.074 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.254 56.3 m -64.73 -24.25 67.51 Favored 'General case' 0 N--CA 1.433 -1.306 0 C-N-CA 127.009 2.124 . . . . 0.0 114.174 173.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.0 m -123.02 -24.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 N-CA-C 116.246 1.943 . . . . 0.0 116.246 171.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.2 m -144.68 111.19 5.65 Favored 'General case' 0 C--O 1.178 -2.67 0 O-C-N 119.695 -1.878 . . . . 0.0 106.583 -178.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -75.39 114.82 14.37 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 114.735 -2.555 . . . . 0.0 112.523 -172.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.414 ' H ' ' CD2' ' A' ' 35' ' ' LEU . . . -136.55 144.32 44.15 Favored 'General case' 0 N--CA 1.432 -1.334 1 CA-C-N 126.801 4.364 . . . . 0.0 112.552 -167.291 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.9 t -96.22 160.51 14.4 Favored 'General case' 0 CA--C 1.58 2.123 1 O-C-N 114.764 -4.96 . . . . 0.0 112.74 -178.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.434 HG13 ' HB ' ' A' ' 56' ' ' VAL 0.252 18.0 t -18.06 -59.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.395 -3.22 0 N-CA-C 121.132 3.753 . . . . 0.0 121.132 171.214 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.47 -52.52 47.32 Favored Glycine 0 CA--C 1.562 3.007 0 CA-C-O 127.08 3.6 . . . . 0.0 114.926 175.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -77.97 -28.62 49.44 Favored 'General case' 0 CA--C 1.577 1.999 0 CA-C-O 115.09 -2.386 . . . . 0.0 112.143 -170.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.61 HG23 HD13 ' A' ' 49' ' ' LEU . 55.9 mt -58.18 -57.3 11.3 Favored 'Isoleucine or valine' 0 C--O 1.262 1.721 0 CA-C-N 120.571 1.532 . . . . 0.0 114.509 159.214 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.1 m -49.06 -40.49 31.7 Favored 'General case' 0 C--O 1.188 -2.174 0 CA-C-O 124.356 2.027 . . . . 0.0 114.849 172.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -67.01 -55.13 15.73 Favored 'General case' 0 C--N 1.365 1.27 0 O-C-N 117.373 -3.329 . . . . 0.0 114.658 170.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . 0.486 48.9 tt0 -65.47 -28.92 69.56 Favored 'General case' 0 N--CA 1.505 2.287 0 N-CA-C 119.316 3.08 . . . . 0.0 119.316 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.61 HD13 HG23 ' A' ' 45' ' ' ILE . 4.5 mp -119.64 4.77 11.07 Favored 'General case' 0 C--O 1.207 -1.132 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 -174.207 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.4 m120 58.47 60.09 2.72 Favored 'General case' 0 N--CA 1.423 -1.821 0 O-C-N 117.128 -3.483 . . . . 0.0 112.121 171.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.6 mt -119.45 -132.16 0.31 Allowed 'General case' 0 CA--C 1.6 2.9 0 CA-C-N 111.484 -2.598 . . . . 0.0 110.457 173.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.9 p -158.58 143.46 16.15 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 129.496 3.118 . . . . 0.0 109.783 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -68.12 -43.07 79.22 Favored 'General case' 0 CA--C 1.61 3.282 0 C-N-CA 126.539 1.936 . . . . 0.0 108.699 -171.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.0 p -57.89 -39.22 77.36 Favored 'General case' 1 N--CA 1.555 4.81 0 CA-C-O 122.969 1.366 . . . . 0.0 111.728 177.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -79.7 -45.29 19.24 Favored 'General case' 0 CA--C 1.569 1.709 0 CA-C-N 113.293 -1.776 . . . . 0.0 106.67 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.434 ' HB ' HG13 ' A' ' 42' ' ' VAL . 22.8 t -72.36 -21.49 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 1 O-C-N 115.529 -4.482 . . . . 0.0 117.506 173.025 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.9 m -63.04 6.39 0.11 Allowed 'General case' 0 N--CA 1.437 -1.077 1 O-C-N 112.765 -6.209 . . . . 0.0 115.509 156.35 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -123.91 -32.21 3.3 Favored 'General case' 0 C--O 1.246 0.884 0 C-N-CA 128.039 2.536 . . . . 0.0 113.73 167.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -87.9 -48.46 7.79 Favored 'General case' 0 N--CA 1.531 3.587 0 N-CA-C 106.144 -1.799 . . . . 0.0 106.144 -170.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.525 HD21 ' CD1' ' A' ' 80' ' ' TYR . 18.5 tp -60.37 -39.35 86.91 Favored 'General case' 0 N--CA 1.42 -1.927 0 O-C-N 125.946 2.029 . . . . 0.0 111.157 173.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -60.59 -46.18 91.2 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 172.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.595 HD13 ' N ' ' A' ' 63' ' ' LEU . 1.5 tm? -60.27 -58.61 7.77 Favored 'General case' 0 CA--C 1.604 3.052 0 O-C-N 118.628 -2.545 . . . . 0.0 110.619 174.455 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.595 ' N ' HD13 ' A' ' 62' ' ' LEU . 65.4 mt -52.37 -37.12 55.49 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 117.954 -1.499 . . . . 0.0 112.539 -178.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.5 ttpp -51.99 -45.21 64.42 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 125.253 2.454 . . . . 0.0 112.419 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.3 m -72.97 -18.38 61.37 Favored 'General case' 0 N--CA 1.506 2.349 0 C-N-CA 129.985 3.314 . . . . 0.0 119.756 -176.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.314 29.8 m -96.96 2.81 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.258 0 CA-C-N 111.763 -2.471 . . . . 0.0 115.882 169.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.303 11.5 p80 65.37 24.23 12.04 Favored 'General case' 0 C--N 1.372 1.552 0 C-N-CA 130.221 3.408 . . . . 0.0 114.607 172.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.2 mp -81.81 -18.47 43.91 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 124.662 2.172 . . . . 0.0 111.604 168.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 t -128.74 150.52 34.48 Favored 'Isoleucine or valine' 0 C--N 1.376 1.735 0 C-N-CA 128.229 2.612 . . . . 0.0 110.676 -169.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -138.8 135.6 34.79 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 128.85 2.86 . . . . 0.0 116.673 170.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.416 ' HB2' ' CE2' ' A' ' 80' ' ' TYR . . . -84.11 144.2 29.19 Favored 'General case' 0 CA--C 1.582 2.208 0 CA-C-O 125.596 2.617 . . . . 0.0 116.242 165.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.7 tttt -138.85 131.87 29.59 Favored 'General case' 0 N--CA 1.513 2.688 1 O-C-N 115.264 -4.648 . . . . 0.0 110.694 173.267 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 69.2 ttt-85 . . . . . 0 CA--C 1.572 1.796 0 C-N-CA 125.791 1.636 . . . . 0.0 113.016 -174.637 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.2 mmt . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 106.183 -1.784 . . . . 0.0 106.183 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.4 mm -112.35 152.74 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 C-N-CA 126.235 1.814 . . . . 0.0 109.703 168.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.525 ' CD1' HD21 ' A' ' 60' ' ' LEU . 50.1 m-85 -129.6 146.59 51.39 Favored 'General case' 0 C--O 1.187 -2.232 0 CA-C-O 125.29 2.471 . . . . 0.0 112.786 -176.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.9 m -138.6 168.61 19.42 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 129.161 2.985 . . . . 0.0 109.906 -173.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -65.01 156.05 32.64 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 115.956 -1.973 . . . . 0.0 113.341 161.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -66.38 -48.13 71.15 Favored 'General case' 0 N--CA 1.529 3.502 0 CA-C-N 121.475 1.943 . . . . 0.0 113.276 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -154.45 -177.15 6.26 Favored 'General case' 0 CA--C 1.566 1.568 0 O-C-N 120.493 -1.38 . . . . 0.0 110.621 161.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.462 ' HA ' ' HB3' ' A' ' 88' ' ' ALA 0.276 8.8 tp -62.57 -23.14 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.134 0 C-N-CA 127.093 2.157 . . . . 0.0 113.729 -176.38 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -65.4 -47.34 76.64 Favored 'General case' 0 C--O 1.187 -2.218 0 CA-C-N 122.554 2.434 . . . . 0.0 113.559 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.75 -49.23 52.58 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.06 0 C-N-CA 128.6 2.76 . . . . 0.0 110.324 172.662 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.462 ' HB3' ' HA ' ' A' ' 85' ' ' ILE . . . -44.39 -49.4 9.67 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 119.566 -1.959 . . . . 0.0 112.19 169.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 59.7 m -69.18 -37.03 77.95 Favored 'General case' 0 N--CA 1.504 2.244 0 CA-C-N 112.907 -1.951 . . . . 0.0 114.123 176.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 36.7 ttp -60.17 -45.84 91.74 Favored 'General case' 0 C--O 1.27 2.169 0 C-N-CA 126.968 2.107 . . . . 0.0 109.396 171.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' A' ' 32' ' ' MET . 5.4 tt -67.81 -56.41 9.29 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 123.544 2.884 . . . . 0.0 105.584 176.261 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -54.32 -48.0 71.83 Favored 'General case' 0 C--N 1.264 -3.14 0 O-C-N 125.9 2.0 . . . . 0.0 112.659 -169.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -71.11 -11.62 61.05 Favored 'General case' 0 CA--C 1.578 2.047 0 CA-C-O 122.551 1.167 . . . . 0.0 114.061 175.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -85.54 -46.32 10.94 Favored 'General case' 0 C--N 1.379 1.891 0 N-CA-C 106.27 -1.752 . . . . 0.0 106.27 172.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.602 HD12 HG11 ' B' ' 16' ' ' VAL 0.35 1.1 mp -52.34 -7.43 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.507 2.402 0 C-N-CA 129.319 3.048 . . . . 0.0 113.939 165.081 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -109.55 -8.18 15.03 Favored 'General case' 0 CA--C 1.583 2.241 0 C-N-CA 130.131 3.372 . . . . 0.0 116.045 173.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -116.85 4.16 12.92 Favored 'General case' 0 CA--C 1.579 2.077 0 CA-C-N 124.168 3.167 . . . . 0.0 112.647 172.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.56 -30.85 71.25 Favored 'General case' 0 CA--C 1.496 -1.096 0 N-CA-C 117.598 2.444 . . . . 0.0 117.598 166.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . 0.251 14.7 p-10 -146.79 164.45 32.77 Favored 'General case' 0 C--O 1.274 2.383 0 C-N-CA 129.701 3.2 . . . . 0.0 109.546 177.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 70.4 m80 -149.03 57.29 2.84 Favored Pre-proline 0 C--O 1.187 -2.219 0 O-C-N 117.417 -3.302 . . . . 0.0 113.593 -172.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo . . . . . 0 C--N 1.385 2.46 0 C-N-CA 124.23 3.287 . . . . 0.0 117.525 -172.947 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.52 3.042 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 49.98 -19.15 0.0 OUTLIER 'General case' 0 N--CA 1.538 3.96 0 N-CA-C 120.204 3.409 . . . . 0.0 120.204 -168.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 77.8 p -140.79 -66.39 0.43 Allowed 'General case' 0 C--N 1.365 1.253 0 O-C-N 117.354 -3.341 . . . . 0.0 108.718 -162.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.496 HD22 HD11 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -35.1 -66.15 0.19 Allowed 'General case' 0 CA--C 1.573 1.862 0 O-C-N 127.837 3.211 . . . . 0.0 117.857 167.189 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -65.48 20.42 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.669 0 N-CA-C 118.731 2.863 . . . . 0.0 118.731 -177.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -144.49 -15.44 0.56 Allowed 'General case' 0 C--O 1.261 1.688 1 C-N-CA 132.075 4.15 . . . . 0.0 115.639 -177.02 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.602 HG11 HD12 ' A' ' 95' ' ' ILE . 5.1 m -85.65 -20.9 7.9 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.13 0 O-C-N 118.045 -2.909 . . . . 0.0 116.725 158.119 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.6 p -57.69 -28.16 63.56 Favored 'General case' 0 N--CA 1.435 -1.192 0 O-C-N 119.828 -1.795 . . . . 0.0 112.864 172.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -70.19 -33.32 71.58 Favored 'General case' 0 C--O 1.201 -1.456 0 O-C-N 118.423 -2.673 . . . . 0.0 114.339 169.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.49 HD13 HG21 ' B' ' 19' ' ' ILE . 25.8 mt -71.2 -63.07 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.407 -2.58 0 O-C-N 123.605 0.565 . . . . 0.0 110.215 178.435 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -23.81 66.03 Favored 'General case' 0 N--CA 1.416 -2.126 0 C-N-CA 131.088 3.755 . . . . 0.0 113.168 -161.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -92.56 -26.39 17.92 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 128.27 3.481 . . . . 0.0 113.288 166.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.58 -10.95 59.76 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 124.585 3.357 . . . . 0.0 113.297 174.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 28.0 mt -63.9 -7.97 9.79 Favored 'General case' 0 C--N 1.382 1.987 0 C-N-CA 127.031 2.133 . . . . 0.0 112.088 173.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.3 29.6 1.42 Allowed Glycine 0 CA--C 1.569 3.44 0 C-N-CA 125.376 1.465 . . . . 0.0 115.982 -164.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -142.57 130.52 21.78 Favored 'General case' 0 N--CA 1.513 2.692 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 162.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.5 ' C ' ' CD1' ' B' ' 26' ' ' TYR . 0.6 OUTLIER -69.74 -15.5 63.15 Favored 'General case' 0 CA--C 1.563 1.474 0 C-N-CA 117.143 -1.823 . . . . 0.0 109.677 -166.073 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -75.45 -43.69 48.24 Favored 'General case' 0 C--N 1.378 1.812 1 O-C-N 115.21 -4.681 . . . . 0.0 114.948 175.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -45.74 -31.53 2.04 Favored 'General case' 0 C--N 1.373 1.588 1 O-C-N 129.74 4.4 . . . . 0.0 111.771 163.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 29.9 mm -94.82 -41.93 12.35 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.981 0 CA-C-O 116.579 -1.677 . . . . 0.0 109.395 -173.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -55.62 -29.08 58.56 Favored 'General case' 1 N--CA 1.55 4.573 0 O-C-N 126.529 2.393 . . . . 0.0 115.68 176.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 13.6 mt -59.82 -67.78 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.169 -3.154 0 O-C-N 128.925 3.891 . . . . 0.0 109.695 173.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' MET . . . . . 0.588 ' HB2' HD21 ' B' ' 82' ' ' LEU 0.466 0.0 OUTLIER -80.07 -28.12 39.23 Favored 'General case' 0 CA--C 1.568 1.646 0 CA-C-O 115.866 -2.016 . . . . 0.0 114.93 -170.465 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLU . . . . . 0.451 ' HA ' HD22 ' B' ' 91' ' ' LEU . 3.6 tm-20 -35.92 -41.63 0.24 Allowed 'General case' 0 CA--C 1.613 3.399 0 CA-C-N 120.136 1.335 . . . . 0.0 114.413 143.011 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.501 ' C ' HD13 ' B' ' 34' ' ' LEU 0.302 1.7 tm? -83.92 -43.02 15.69 Favored 'General case' 0 N--CA 1.523 3.175 0 CA-C-N 123.855 3.025 . . . . 0.0 111.94 -178.069 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 17.3 mt -49.17 -27.06 3.23 Favored 'General case' 0 C--N 1.391 2.409 0 N-CA-C 116.231 1.937 . . . . 0.0 116.231 167.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 2.1 p -65.11 -21.49 66.81 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 131.175 3.79 . . . . 0.0 113.231 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 m -122.55 -38.5 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.472 -2.045 0 CA-C-O 116.807 -1.568 . . . . 0.0 112.535 177.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 19.8 m -149.47 145.49 26.93 Favored 'General case' 0 N--CA 1.506 2.363 0 CA-C-O 125.607 2.623 . . . . 0.0 110.5 169.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -83.07 112.75 20.08 Favored 'General case' 0 C--O 1.263 1.768 0 O-C-N 116.81 -3.681 . . . . 0.0 110.39 -167.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . 0.279 . . -118.9 138.29 52.87 Favored 'General case' 0 CA--C 1.582 2.176 0 CA-C-N 121.962 2.164 . . . . 0.0 106.907 -177.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 13.5 t -75.61 145.41 41.14 Favored 'General case' 0 CA--C 1.46 -2.509 0 C-N-CA 129.706 3.203 . . . . 0.0 113.604 159.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 63.2 t -9.22 -46.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.514 2.761 0 N-CA-C 119.456 3.132 . . . . 0.0 119.456 167.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.92 -49.63 7.54 Favored Glycine 0 C--N 1.343 0.921 0 O-C-N 120.826 -1.171 . . . . 0.0 112.276 -178.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.271 30.5 t-80 -73.56 -22.96 59.92 Favored 'General case' 0 C--N 1.364 1.2 0 CA-C-O 117.785 -1.103 . . . . 0.0 113.145 177.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.454 HG23 HD13 ' B' ' 49' ' ' LEU . 65.7 mt -65.72 -52.88 44.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 O-C-N 127.514 3.008 . . . . 0.0 106.088 166.118 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 49.7 m -56.83 1.65 0.03 OUTLIER 'General case' 0 C--O 1.284 2.872 0 N-CA-C 119.256 3.058 . . . . 0.0 119.256 170.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -113.4 -51.67 2.8 Favored 'General case' 0 C--N 1.38 1.903 0 C-N-CA 127.527 2.331 . . . . 0.0 114.616 172.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . 0.343 80.8 mm-40 -68.63 -27.98 66.5 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 117.955 -2.965 . . . . 0.0 115.202 170.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.454 HD13 HG23 ' B' ' 45' ' ' ILE 0.277 1.0 OUTLIER -96.64 -13.8 22.58 Favored 'General case' 0 C--O 1.184 -2.369 0 C-N-CA 126.595 1.958 . . . . 0.0 116.069 165.556 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 19.0 m120 49.3 50.36 18.18 Favored 'General case' 1 N--CA 1.553 4.683 0 N-CA-C 117.761 2.504 . . . . 0.0 117.761 -166.168 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 60.7 mt -92.06 168.05 11.65 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 114.34 -2.743 . . . . 0.0 111.915 163.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 33.6 t -84.43 138.4 32.85 Favored 'General case' 0 N--CA 1.433 -1.324 0 CA-C-N 121.106 1.775 . . . . 0.0 114.492 161.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -61.41 -21.46 64.11 Favored 'General case' 0 CA--C 1.555 1.136 0 O-C-N 127.816 3.197 . . . . 0.0 109.441 -176.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 14.9 m -74.76 -31.29 61.74 Favored 'General case' 0 CA--C 1.608 3.205 0 O-C-N 118.515 -2.615 . . . . 0.0 112.358 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -90.5 -34.27 15.63 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 125.649 1.843 . . . . 0.0 112.786 -175.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 50.6 t -68.28 -30.6 48.33 Favored 'Isoleucine or valine' 0 C--O 1.257 1.492 0 CA-C-O 112.855 -3.45 . . . . 0.0 112.031 169.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 14.9 m -63.83 12.31 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 158.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -126.23 -35.34 2.43 Favored 'General case' 0 CA--C 1.59 2.518 0 O-C-N 119.004 -2.31 . . . . 0.0 107.899 173.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -91.64 -43.56 9.55 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-O 115.552 -2.166 . . . . 0.0 111.715 -166.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.425 ' HA ' HD12 ' B' ' 60' ' ' LEU . 8.1 tp -49.94 -47.3 52.54 Favored 'General case' 1 CA--C 1.638 4.345 0 O-C-N 126.507 2.38 . . . . 0.0 113.556 157.797 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -71.88 -36.95 70.22 Favored 'General case' 0 CA--C 1.574 1.886 0 O-C-N 119.778 -1.826 . . . . 0.0 112.758 -176.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.542 HD13 ' N ' ' B' ' 63' ' ' LEU . 1.7 tm? -49.32 -61.68 1.96 Allowed 'General case' 0 CA--C 1.508 -0.645 0 O-C-N 119.029 -2.295 . . . . 0.0 110.632 158.127 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.542 ' N ' HD13 ' B' ' 62' ' ' LEU . 21.3 mt -66.84 -33.01 74.67 Favored 'General case' 0 N--CA 1.513 2.704 0 CA-C-O 123.673 1.702 . . . . 0.0 110.28 -166.224 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -51.64 -50.05 61.06 Favored 'General case' 0 C--O 1.26 1.638 0 CA-C-N 114.164 -1.38 . . . . 0.0 110.284 164.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.6 m -82.19 5.13 20.81 Favored 'General case' 0 C--O 1.265 1.905 0 C-N-CA 125.997 1.719 . . . . 0.0 115.192 -173.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 14.8 m -127.95 29.09 1.87 Allowed 'Isoleucine or valine' 0 C--O 1.177 -2.756 0 CA-C-O 116.728 -1.606 . . . . 0.0 110.829 161.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 54.83 11.28 0.45 Allowed 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 129.458 3.103 . . . . 0.0 117.979 162.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.543 ' HB3' ' SD ' ' B' ' 32' ' ' MET 0.3 11.6 mt -74.24 -36.1 63.88 Favored 'General case' 0 C--O 1.271 2.19 0 O-C-N 118.594 -2.566 . . . . 0.0 106.88 163.817 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.1 t -104.4 152.0 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 127.616 2.366 . . . . 0.0 115.136 175.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -127.66 156.48 42.27 Favored 'General case' 0 C--N 1.358 0.937 0 O-C-N 125.479 1.737 . . . . 0.0 112.618 157.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' ALA . . . . . 0.423 ' HB2' ' CE2' ' B' ' 80' ' ' TYR . . . -91.19 151.24 21.03 Favored 'General case' 0 CA--C 1.565 1.519 0 CA-C-O 114.272 -2.775 . . . . 0.0 112.186 163.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 32.4 pttt . . . . . 0 CA--C 1.588 2.431 0 CA-C-N 123.291 2.769 . . . . 0.0 108.768 166.545 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.422 ' SD ' ' HB1' ' B' ' 71' ' ' ALA . 4.2 ttt . . . . . 0 N--CA 1.404 -2.745 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 9.8 mm -92.78 155.1 3.14 Favored 'Isoleucine or valine' 0 C--N 1.424 3.808 0 C-N-CA 130.76 3.624 . . . . 0.0 110.759 -173.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' TYR . . . . . 0.423 ' CE2' ' HB2' ' B' ' 71' ' ' ALA . 73.8 m-85 -134.43 141.77 46.91 Favored 'General case' 0 C--O 1.219 -0.505 0 O-C-N 118.972 -2.33 . . . . 0.0 111.151 -175.088 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 6.1 p -137.27 163.07 31.83 Favored 'General case' 0 C--O 1.253 1.259 0 C-N-CA 129.148 2.979 . . . . 0.0 106.39 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.588 HD21 ' HB2' ' B' ' 32' ' ' MET . 5.0 mt -56.34 129.85 42.17 Favored 'General case' 0 CA--C 1.59 2.49 0 C-N-CA 126.703 2.001 . . . . 0.0 106.759 159.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -49.82 -55.05 15.62 Favored 'General case' 0 CA--C 1.588 2.413 0 O-C-N 119.848 -1.782 . . . . 0.0 114.442 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 27.5 p30 -140.8 -178.85 5.73 Favored 'General case' 0 N--CA 1.512 2.649 0 O-C-N 119.192 -2.192 . . . . 0.0 113.683 161.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.2 pp -61.54 -17.17 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.986 0 C-N-CA 126.717 2.007 . . . . 0.0 111.577 -177.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -66.49 -62.76 1.29 Allowed 'General case' 0 C--O 1.196 -1.743 0 O-C-N 125.91 2.006 . . . . 0.0 107.213 -173.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.462 HG21 ' HA ' ' B' ' 68' ' ' LEU . 1.8 m -74.07 -26.37 20.93 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.405 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.622 -175.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.417 ' CB ' HD13 ' B' ' 82' ' ' LEU . . . -53.35 -47.27 69.53 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.445 -1.409 . . . . 0.0 109.747 170.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 88.3 m -70.21 -31.38 68.79 Favored 'General case' 0 N--CA 1.432 -1.36 0 CA-C-O 127.2 3.381 . . . . 0.0 112.495 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 11.5 tmm? -66.81 -44.5 81.04 Favored 'General case' 0 CA--C 1.6 2.886 0 O-C-N 117.853 -3.029 . . . . 0.0 110.805 176.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.451 HD22 ' HA ' ' B' ' 33' ' ' GLU 0.283 4.5 tt -62.49 -52.47 63.37 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-N 112.699 -2.046 . . . . 0.0 109.358 -178.789 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -54.71 -43.29 72.44 Favored 'General case' 0 CA--C 1.562 1.427 0 C-N-CA 126.768 2.027 . . . . 0.0 111.006 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -76.73 -13.77 60.0 Favored 'General case' 0 N--CA 1.435 -1.2 0 O-C-N 117.395 -3.316 . . . . 0.0 116.159 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.65 -41.59 37.76 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 124.847 1.259 . . . . 0.0 112.166 162.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.29 -35.65 59.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 CA-C-N 123.061 2.664 . . . . 0.0 107.257 168.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.32 -34.62 42.12 Favored 'General case' 0 N--CA 1.504 2.273 0 C-N-CA 128.329 2.652 . . . . 0.0 114.848 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -78.14 -17.6 56.68 Favored 'General case' 0 C--O 1.275 2.418 0 CA-C-N 122.691 2.496 . . . . 0.0 115.015 166.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -80.3 -23.86 40.39 Favored 'General case' 0 N--CA 1.413 -2.295 0 C-N-CA 128.277 2.631 . . . . 0.0 113.631 168.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -134.91 94.56 3.17 Favored 'General case' 0 CA--C 1.567 1.633 1 C-N-CA 131.755 4.022 . . . . 0.0 118.281 173.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 45.2 m170 . . . . . 0 N--CA 1.494 1.759 0 CA-C-N 110.088 -3.233 . . . . 0.0 107.025 176.363 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.6 p . . . . . 0 CA--C 1.567 1.626 0 CA-C-O 117.549 -1.215 . . . . 0.0 110.156 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.297 1.9 m-20 57.81 -38.58 0.05 OUTLIER 'General case' 0 C--N 1.365 1.272 0 N-CA-C 120.828 3.64 . . . . 0.0 120.828 -171.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 p -164.73 -33.36 0.03 OUTLIER 'General case' 0 N--CA 1.524 3.258 0 CA-C-N 111.764 -2.471 . . . . 0.0 111.089 -165.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.96 -39.7 20.11 Favored 'General case' 1 CA--C 1.633 4.149 0 C-N-CA 127.869 2.468 . . . . 0.0 117.062 -165.3 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -90.7 0.96 57.24 Favored 'General case' 0 CA--C 1.565 1.537 0 N-CA-C 116.18 1.918 . . . . 0.0 116.18 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -82.71 -23.59 34.01 Favored 'General case' 0 N--CA 1.516 2.864 0 C-N-CA 124.643 1.177 . . . . 0.0 111.542 150.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.402 HG13 HD11 ' A' ' 19' ' ' ILE . 82.7 t -84.59 -41.17 15.85 Favored 'Isoleucine or valine' 0 C--O 1.254 1.307 0 O-C-N 118.797 -2.439 . . . . 0.0 110.786 -175.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.9 p -53.05 -32.7 48.33 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 166.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -62.5 -17.25 59.27 Favored 'General case' 0 CA--C 1.585 2.312 0 C-N-CA 130.123 3.369 . . . . 0.0 110.222 173.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.402 HD11 HG13 ' A' ' 16' ' ' VAL 0.33 2.8 pp -106.36 6.98 9.93 Favored 'Isoleucine or valine' 0 C--N 1.383 2.028 0 N-CA-C 115.084 1.512 . . . . 0.0 115.084 165.892 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -103.79 -28.63 11.52 Favored 'General case' 0 C--N 1.385 2.119 0 O-C-N 118.913 -2.367 . . . . 0.0 110.137 167.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -61.51 54.21 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.076 3 O-C-N 114.184 -5.322 . . . . 0.0 108.882 144.281 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.433 ' H ' ' H ' ' A' ' 23' ' ' LEU 0.338 . . -174.62 -8.86 0.01 OUTLIER 'General case' 1 N--CA 1.542 4.135 0 CA-C-N 110.2 -3.182 . . . . 0.0 110.173 173.764 . . . . . . . . 4 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.433 ' H ' ' H ' ' A' ' 22' ' ' ALA . 68.8 mt -97.04 -115.24 0.13 Allowed 'General case' 0 C--O 1.269 2.098 0 C-N-CA 124.861 1.264 . . . . 0.0 109.532 174.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.07 -5.01 0.01 OUTLIER Glycine 0 C--N 1.371 2.524 1 N-CA-C 124.231 4.452 . . . . 0.0 124.231 177.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -134.57 164.36 27.66 Favored 'General case' 0 CA--C 1.619 3.607 0 O-C-N 126.522 1.954 . . . . 0.0 109.912 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . 0.377 31.2 t80 -81.85 -78.62 0.19 Allowed 'General case' 0 C--N 1.345 0.398 0 C-N-CA 127.326 2.25 . . . . 0.0 114.201 -167.28 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.461 ' HA ' ' HB3' ' A' ' 30' ' ' ARG . 61.6 m-80 -51.78 -53.59 38.11 Favored 'General case' 0 C--O 1.201 -1.496 0 CA-C-O 114.886 -2.483 . . . . 0.0 113.341 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -28.92 -38.56 0.01 OUTLIER 'General case' 0 N--CA 1.531 3.614 0 N-CA-C 119.437 3.125 . . . . 0.0 119.437 168.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -103.29 -13.9 8.55 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.814 0 N-CA-C 119.451 3.13 . . . . 0.0 119.451 169.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.461 ' HB3' ' HA ' ' A' ' 27' ' ' ASN . 46.0 ttp85 -67.02 -22.13 65.9 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-O 115.946 -1.978 . . . . 0.0 111.976 161.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.3 mp -62.5 -47.03 94.92 Favored 'Isoleucine or valine' 0 C--O 1.174 -2.878 0 O-C-N 125.866 1.979 . . . . 0.0 108.045 162.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.434 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 72.1 mtm -86.2 -44.32 12.28 Favored 'General case' 0 N--CA 1.52 3.036 0 C-N-CA 117.36 -1.736 . . . . 0.0 112.688 -156.546 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.402 ' HB2' HD21 ' A' ' 91' ' ' LEU . 6.9 tm-20 -28.28 -35.94 0.01 OUTLIER 'General case' 0 C--N 1.379 1.891 0 O-C-N 119.324 -2.11 . . . . 0.0 113.986 148.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.55 -45.24 7.83 Favored 'General case' 0 CA--C 1.574 1.865 0 CA-C-N 125.44 3.745 . . . . 0.0 112.976 176.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.9 mt -52.88 -26.16 13.93 Favored 'General case' 0 N--CA 1.526 3.358 0 O-C-N 118.077 -2.89 . . . . 0.0 112.633 171.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.4 m -55.93 -16.59 4.94 Favored 'General case' 0 C--O 1.194 -1.846 0 CA-C-N 110.171 -3.195 . . . . 0.0 112.562 173.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.0 m -134.97 -23.62 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.711 0 CA-C-N 122.83 2.559 . . . . 0.0 115.879 -177.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.4 m -156.05 128.03 7.47 Favored 'General case' 0 C--O 1.254 1.3 0 C-N-CA 131.529 3.932 . . . . 0.0 114.375 177.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.423 ' HG2' ' HA ' ' A' ' 81' ' ' SER . 17.7 mt-10 -96.65 136.59 36.96 Favored 'General case' 0 CA--C 1.605 3.079 0 O-C-N 119.049 -2.282 . . . . 0.0 110.869 -163.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -139.73 143.84 37.21 Favored 'General case' 0 CA--C 1.481 -1.691 0 CA-C-N 113.24 -1.8 . . . . 0.0 112.726 -172.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -89.09 159.66 17.43 Favored 'General case' 0 N--CA 1.513 2.68 0 CA-C-O 121.349 0.595 . . . . 0.0 112.435 170.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.527 HG13 ' HB ' ' A' ' 56' ' ' VAL . 59.0 t -25.11 -50.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 118.67 2.841 . . . . 0.0 118.67 176.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.16 -35.75 60.59 Favored Glycine 0 CA--C 1.542 1.738 0 O-C-N 119.085 -2.26 . . . . 0.0 112.666 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -79.24 -40.22 31.16 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-N 122.281 3.04 . . . . 0.0 111.332 -177.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.42 HG23 HD13 ' A' ' 49' ' ' LEU . 45.7 mt -50.4 -49.05 24.95 Favored 'Isoleucine or valine' 0 C--N 1.373 1.614 0 O-C-N 118.7 -2.5 . . . . 0.0 109.042 165.241 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.4 m -65.29 -10.61 33.87 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 119.608 -1.932 . . . . 0.0 115.201 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -91.28 -64.53 1.11 Allowed 'General case' 0 C--N 1.377 1.763 0 N-CA-C 104.371 -2.455 . . . . 0.0 104.371 168.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . 0.266 63.3 tt0 -63.79 -42.69 97.69 Favored 'General case' 0 CA--C 1.615 3.466 0 C-N-CA 130.777 3.631 . . . . 0.0 111.416 -161.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.42 HD13 HG23 ' A' ' 45' ' ' ILE . 5.5 mp -94.24 5.66 51.07 Favored 'General case' 0 N--CA 1.503 2.203 0 C-N-CA 125.334 1.453 . . . . 0.0 113.315 172.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.9 m120 54.57 53.75 10.25 Favored 'General case' 0 C--O 1.298 3.625 0 N-CA-C 115.953 1.834 . . . . 0.0 115.953 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.2 mt -107.41 -139.2 0.37 Allowed 'General case' 0 C--O 1.269 2.099 0 CA-C-O 121.833 0.825 . . . . 0.0 112.814 -174.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 61.4 p -150.01 138.7 20.8 Favored 'General case' 0 N--CA 1.421 -1.904 0 O-C-N 118.208 -2.808 . . . . 0.0 109.462 170.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.48 -30.08 70.33 Favored 'General case' 0 C--N 1.399 2.747 0 O-C-N 119.096 -2.253 . . . . 0.0 112.117 -172.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.5 m -53.6 -33.79 56.15 Favored 'General case' 0 C--N 1.364 1.216 0 O-C-N 125.863 1.977 . . . . 0.0 115.324 165.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -83.35 -31.73 26.63 Favored 'General case' 0 C--O 1.284 2.891 0 CA-C-N 121.128 1.786 . . . . 0.0 109.438 175.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.559 ' C ' ' H ' ' A' ' 58' ' ' HIS . 23.5 t -92.82 -34.85 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 CA-C-N 121.126 1.784 . . . . 0.0 113.11 -167.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.1 m -54.89 12.27 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 156.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.559 ' H ' ' C ' ' A' ' 56' ' ' VAL . 14.7 t60 -139.07 -38.52 0.5 Allowed 'General case' 0 C--O 1.191 -2.012 0 CA-C-O 117.026 -1.464 . . . . 0.0 110.811 -176.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -88.27 -44.99 10.43 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 125.765 1.626 . . . . 0.0 111.067 177.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.413 HD21 ' CG ' ' A' ' 80' ' ' TYR . 12.3 tp -53.69 -39.65 65.32 Favored 'General case' 0 CA--C 1.587 2.393 0 O-C-N 119.23 -2.169 . . . . 0.0 116.032 167.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -70.59 -34.23 71.95 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 123.479 1.609 . . . . 0.0 112.335 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.538 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -64.94 -52.01 58.71 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 119.73 -1.856 . . . . 0.0 108.531 175.119 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.538 ' N ' HD13 ' A' ' 62' ' ' LEU 0.318 15.7 mt -69.23 -30.82 69.05 Favored 'General case' 0 C--O 1.275 2.406 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 -169.262 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -59.59 -54.12 50.17 Favored 'General case' 0 C--N 1.268 -2.948 0 C-N-CA 128.182 2.593 . . . . 0.0 109.806 173.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.5 m -77.97 1.64 20.11 Favored 'General case' 0 C--O 1.276 2.493 0 O-C-N 116.98 -3.575 . . . . 0.0 113.635 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.323 6.0 m -120.06 19.43 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 CA-C-O 125.794 2.712 . . . . 0.0 113.066 168.357 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.257 10.9 p80 48.69 39.3 13.34 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 121.351 3.834 . . . . 0.0 121.351 173.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.4 mp -97.75 -23.5 15.89 Favored 'General case' 0 C--O 1.252 1.215 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 163.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.3 t -117.36 151.8 19.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 N-CA-C 104.087 -2.56 . . . . 0.0 104.087 -174.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.84 144.08 37.11 Favored 'General case' 0 C--O 1.274 2.364 0 C-N-CA 125.74 1.616 . . . . 0.0 109.304 172.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.609 ' HB2' ' CE2' ' A' ' 80' ' ' TYR . . . -122.86 147.23 46.8 Favored 'General case' 0 C--O 1.271 2.192 1 CA-C-O 128.822 4.153 . . . . 0.0 109.148 -173.481 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -136.57 137.05 39.81 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 117.315 -3.366 . . . . 0.0 107.0 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 70.5 ttt-85 . . . . . 0 CA--C 1.559 1.324 0 O-C-N 120.407 -1.433 . . . . 0.0 108.144 -174.291 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 17.9 mmt . . . . . 0 CA--C 1.474 -1.976 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.8 mm -115.95 139.06 44.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 C-N-CA 130.016 3.326 . . . . 0.0 108.534 -175.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.609 ' CE2' ' HB2' ' A' ' 71' ' ' ALA . 29.8 m-85 -132.79 150.3 52.17 Favored 'General case' 0 CA--C 1.57 1.721 0 CA-C-O 125.319 2.485 . . . . 0.0 109.859 -159.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.423 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 5.1 m -148.3 176.55 10.16 Favored 'General case' 0 N--CA 1.502 2.132 0 CA-C-N 111.754 -2.475 . . . . 0.0 107.385 -169.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -68.29 155.87 38.87 Favored 'General case' 0 CA--C 1.571 1.753 0 O-C-N 117.493 -3.254 . . . . 0.0 107.333 160.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -63.65 -48.59 76.59 Favored 'General case' 0 C--O 1.268 2.038 0 CA-C-N 113.91 -1.495 . . . . 0.0 110.902 -174.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -158.06 179.14 9.45 Favored 'General case' 0 C--O 1.274 2.375 0 CA-C-O 126.17 2.89 . . . . 0.0 105.847 169.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . 0.281 6.9 tp -55.79 -32.17 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 1 C-N-CA 133.164 4.585 . . . . 0.0 112.162 179.692 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -58.44 -52.49 65.43 Favored 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 130.249 3.419 . . . . 0.0 112.232 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.4 p -76.68 -49.17 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 CA-C-N 113.684 -1.598 . . . . 0.0 112.062 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.04 -44.6 31.26 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 116.964 -3.585 . . . . 0.0 109.252 171.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.8 m -64.16 -41.34 97.19 Favored 'General case' 0 N--CA 1.534 3.743 0 O-C-N 116.812 -3.68 . . . . 0.0 114.591 174.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . 0.354 0.2 OUTLIER -53.75 -41.2 66.86 Favored 'General case' 0 CA--C 1.594 2.648 0 C-N-CA 124.463 1.105 . . . . 0.0 113.903 172.351 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.434 ' CD1' ' HB2' ' A' ' 32' ' ' MET 0.32 4.3 tt -82.3 -53.14 6.27 Favored 'General case' 0 N--CA 1.513 2.714 0 CA-C-O 114.94 -2.457 . . . . 0.0 109.808 176.61 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.8 tttp -45.06 -55.72 5.35 Favored 'General case' 0 CA--C 1.573 1.835 0 CA-C-N 123.182 2.719 . . . . 0.0 116.548 173.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -67.91 -13.44 62.16 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 117.783 2.512 . . . . 0.0 117.783 175.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.14 -57.77 4.19 Favored 'General case' 0 CA--C 1.485 -1.548 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 159.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.484 HD12 HG11 ' B' ' 16' ' ' VAL . 1.0 OUTLIER -50.29 -2.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.291 3.246 0 CA-C-O 125.536 2.589 . . . . 0.0 117.524 170.919 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -117.35 -1.35 11.78 Favored 'General case' 0 N--CA 1.422 -1.834 0 O-C-N 118.503 -2.623 . . . . 0.0 115.768 172.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -110.97 -2.07 16.12 Favored 'General case' 0 N--CA 1.523 3.212 0 C-N-CA 117.722 -1.591 . . . . 0.0 111.677 169.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.548 ' HB1' ' CB ' ' B' ' 15' ' ' ARG . . . -66.95 -46.21 75.42 Favored 'General case' 0 N--CA 1.521 3.105 0 O-C-N 116.316 -3.99 . . . . 0.0 112.08 174.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -123.2 160.39 26.66 Favored 'General case' 0 C--N 1.271 -2.819 0 O-C-N 126.222 2.201 . . . . 0.0 112.751 171.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -142.94 61.3 10.4 Favored Pre-proline 0 N--CA 1.491 1.602 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo . . . . . 0 N--CA 1.53 3.671 0 C-N-CA 121.641 1.561 . . . . 0.0 112.492 173.395 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 14.3 p . . . . . 0 N--CA 1.497 1.876 0 CA-C-O 121.661 0.743 . . . . 0.0 112.753 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 59.33 -37.87 0.07 Allowed 'General case' 0 C--O 1.257 1.452 0 C-N-CA 130.403 3.481 . . . . 0.0 112.662 175.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 78.2 p -114.58 -63.44 1.46 Allowed 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 117.28 2.326 . . . . 0.0 117.28 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -43.45 -52.69 5.9 Favored 'General case' 0 CA--C 1.48 -1.745 0 N-CA-C 121.651 3.945 . . . . 0.0 121.651 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -62.12 -12.02 17.31 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 126.873 3.225 . . . . 0.0 112.163 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.548 ' CB ' ' HB1' ' A' ' 98' ' ' ALA . 4.1 mmp_? -116.06 0.51 13.02 Favored 'General case' 0 N--CA 1.439 -1.016 0 O-C-N 117.81 -3.056 . . . . 0.0 113.81 -175.204 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.497 HG12 HD12 ' B' ' 19' ' ' ILE . 4.1 m -114.93 -7.43 12.15 Favored 'Isoleucine or valine' 0 C--N 1.398 2.694 0 CA-C-O 111.863 -3.923 . . . . 0.0 114.383 158.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 9.8 p -61.33 -39.62 91.2 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 122.029 2.195 . . . . 0.0 105.517 167.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -58.8 -30.89 67.95 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 117.22 -3.425 . . . . 0.0 112.363 172.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.497 HD12 HG12 ' B' ' 16' ' ' VAL . 5.7 mt -81.24 -58.58 3.6 Favored 'Isoleucine or valine' 0 C--N 1.396 2.617 1 O-C-N 115.928 -4.232 . . . . 0.0 109.264 178.107 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.422 ' HA ' ' HG ' ' B' ' 23' ' ' LEU . 5.2 m-30 -66.58 -30.89 71.29 Favored 'General case' 0 N--CA 1.427 -1.592 0 O-C-N 118.919 -2.363 . . . . 0.0 114.147 -166.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 pttm -65.59 -46.63 78.65 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 121.086 0.47 . . . . 0.0 110.174 173.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.87 3.85 13.39 Favored 'General case' 0 C--O 1.21 -1.026 0 C-N-CA 128.03 2.532 . . . . 0.0 110.416 -178.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.422 ' HG ' ' HA ' ' B' ' 20' ' ' PHE . 31.8 mt -72.39 6.28 2.42 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-N 123.041 2.655 . . . . 0.0 109.207 159.387 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.07 23.1 0.57 Allowed Glycine 1 CA--C 1.578 4.008 0 N-CA-C 120.134 2.814 . . . . 0.0 120.134 -168.068 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -151.55 121.6 7.15 Favored 'General case' 0 CA--C 1.587 2.391 0 CA-C-N 120.927 2.364 . . . . 0.0 107.212 -173.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -55.42 -38.2 68.65 Favored 'General case' 0 CA--C 1.571 1.751 0 C-N-CA 117.673 -1.611 . . . . 0.0 113.725 172.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -63.45 -43.89 96.09 Favored 'General case' 0 C--O 1.24 0.566 1 O-C-N 116.251 -4.031 . . . . 0.0 110.565 -174.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.495 ' HB3' HD21 ' B' ' 63' ' ' LEU . 54.3 mtt180 -46.61 -48.35 19.77 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 120.223 1.374 . . . . 0.0 111.056 174.083 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 40.7 mm -68.88 -39.56 80.08 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 C-N-CA 130.2 3.4 . . . . 0.0 111.892 -173.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -69.35 -31.28 69.62 Favored 'General case' 0 CA--C 1.504 -0.796 0 C-N-CA 130.936 3.695 . . . . 0.0 112.508 -175.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.545 ' HA ' HD21 ' B' ' 49' ' ' LEU . 4.5 mt -60.41 -43.74 94.65 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.863 0 CA-C-N 111.859 -2.428 . . . . 0.0 111.219 170.336 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 75.4 mtm -89.62 -49.26 6.77 Favored 'General case' 0 C--O 1.252 1.191 0 O-C-N 119.314 -2.116 . . . . 0.0 115.152 -163.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -10.93 -63.28 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.934 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 135.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.537 ' C ' HD13 ' B' ' 34' ' ' LEU . 2.0 tm? -71.37 -50.92 27.36 Favored 'General case' 0 C--O 1.206 -1.2 0 N-CA-C 118.364 2.727 . . . . 0.0 118.364 -176.329 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.31 -32.63 57.02 Favored 'General case' 0 C--O 1.197 -1.659 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 5.0 p -67.98 -2.18 7.11 Favored 'General case' 0 CA--C 1.574 1.899 0 C-N-CA 129.032 2.933 . . . . 0.0 110.729 -172.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . 0.309 3.2 m -128.61 -37.3 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.586 2.36 0 C-N-CA 127.523 2.329 . . . . 0.0 111.954 174.164 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -156.79 127.59 6.73 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 117.926 -2.984 . . . . 0.0 104.692 162.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -73.45 127.41 32.63 Favored 'General case' 0 CA--C 1.58 2.108 0 N-CA-C 106.873 -1.528 . . . . 0.0 106.873 -165.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.3 143.62 48.25 Favored 'General case' 0 CA--C 1.584 2.254 0 O-C-N 117.57 -3.206 . . . . 0.0 112.07 -178.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 23.0 t -80.36 151.43 29.43 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 127.705 2.402 . . . . 0.0 113.851 162.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.423 HG23 HD23 ' B' ' 60' ' ' LEU . 95.4 t -12.68 -66.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.426 0 C-N-CA 125.968 1.707 . . . . 0.0 112.582 155.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.28 -35.26 90.65 Favored Glycine 0 CA--C 1.558 2.73 0 CA-C-O 118.745 -1.03 . . . . 0.0 113.605 -169.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -81.11 -43.6 19.19 Favored 'General case' 0 C--N 1.365 1.278 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 174.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 33.7 mt -49.37 -44.52 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 O-C-N 128.713 3.758 . . . . 0.0 109.509 173.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 73.3 m -45.31 -51.65 10.74 Favored 'General case' 0 C--N 1.342 0.245 0 O-C-N 127.962 3.289 . . . . 0.0 108.559 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -69.57 -55.07 11.16 Favored 'General case' 0 C--N 1.377 1.783 0 N-CA-C 115.332 1.604 . . . . 0.0 115.332 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -70.37 -6.01 32.35 Favored 'General case' 0 N--CA 1.525 3.319 0 CA-C-O 115.351 -2.262 . . . . 0.0 113.984 -175.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.545 HD21 ' HA ' ' B' ' 31' ' ' ILE . 5.7 mp -130.8 1.23 4.37 Favored 'General case' 0 CA--C 1.605 3.077 0 O-C-N 125.671 1.857 . . . . 0.0 108.532 -175.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 m120 59.94 51.65 5.8 Favored 'General case' 0 N--CA 1.525 3.307 0 C-N-CA 130.352 3.461 . . . . 0.0 114.479 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 73.0 mt -129.84 153.26 48.45 Favored 'General case' 0 C--O 1.278 2.598 0 N-CA-C 105.127 -2.175 . . . . 0.0 105.127 -168.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 22.9 t -74.76 142.38 44.31 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 123.228 1.489 . . . . 0.0 113.103 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -61.88 -38.56 88.76 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 117.562 -3.211 . . . . 0.0 109.614 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 46.6 m -62.17 -25.67 67.9 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 174.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -79.31 -35.92 40.43 Favored 'General case' 0 C--O 1.191 -1.987 0 C-N-CA 129.906 3.282 . . . . 0.0 110.476 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.415 ' C ' ' H ' ' B' ' 58' ' ' HIS . 17.3 t -83.52 -29.43 7.75 Favored 'Isoleucine or valine' 0 C--N 1.35 0.618 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 177.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 20.3 m -61.99 8.55 0.04 OUTLIER 'General case' 0 N--CA 1.527 3.425 0 C-N-CA 126.285 1.834 . . . . 0.0 112.923 159.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' HIS . . . . . 0.415 ' H ' ' C ' ' B' ' 56' ' ' VAL . 72.4 t60 -135.74 -33.99 0.84 Allowed 'General case' 0 N--CA 1.416 -2.134 0 C-N-CA 124.702 1.201 . . . . 0.0 110.588 174.5 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -77.76 -41.21 38.33 Favored 'General case' 0 N--CA 1.439 -0.981 0 O-C-N 117.031 -3.543 . . . . 0.0 106.173 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.423 HD23 HG23 ' B' ' 42' ' ' VAL . 6.2 tp -67.32 -42.02 84.32 Favored 'General case' 0 C--O 1.205 -1.275 1 O-C-N 114.236 -5.29 . . . . 0.0 106.341 179.566 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -70.62 -31.18 68.05 Favored 'General case' 0 CA--C 1.557 1.246 1 O-C-N 115.713 -4.367 . . . . 0.0 110.157 177.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.585 HD13 ' N ' ' B' ' 63' ' ' LEU . 0.1 OUTLIER -67.1 -47.01 72.49 Favored 'General case' 0 C--O 1.248 1.011 0 C-N-CA 119.487 -0.885 . . . . 0.0 112.107 172.413 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.585 ' N ' HD13 ' B' ' 62' ' ' LEU . 72.0 mt -61.67 -39.12 90.3 Favored 'General case' 0 C--O 1.185 -2.301 0 N-CA-C 118.854 2.909 . . . . 0.0 118.854 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -53.15 -38.84 63.07 Favored 'General case' 0 N--CA 1.537 3.903 1 CA-C-N 107.375 -4.466 . . . . 0.0 112.839 167.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.7 m -83.28 -8.61 59.42 Favored 'General case' 1 N--CA 1.546 4.337 0 CA-C-N 113.598 -1.637 . . . . 0.0 108.515 -178.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.444 HG23 ' CD1' ' B' ' 68' ' ' LEU 0.306 15.9 m -115.55 14.64 7.91 Favored 'Isoleucine or valine' 0 C--N 1.383 2.044 0 C-N-CA 128.573 2.749 . . . . 0.0 114.286 174.701 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 4.6 m80 66.92 18.71 10.64 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 113.877 -1.51 . . . . 0.0 112.698 162.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.444 ' CD1' HG23 ' B' ' 66' ' ' VAL . 2.9 mp -88.82 -13.57 39.03 Favored 'General case' 0 N--CA 1.517 2.889 0 CA-C-N 119.554 1.07 . . . . 0.0 113.366 169.143 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.3 t -128.9 143.23 41.85 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.09 0 C-N-CA 128.105 2.562 . . . . 0.0 115.8 -162.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -137.2 147.6 45.95 Favored 'General case' 0 C--O 1.274 2.384 0 CA-C-O 128.166 3.841 . . . . 0.0 113.727 165.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -99.56 152.38 20.1 Favored 'General case' 0 CA--C 1.576 1.953 0 O-C-N 118.386 -2.696 . . . . 0.0 117.237 173.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 39.4 pttt . . . . . 0 N--CA 1.53 3.53 0 CA-C-O 124.116 1.913 . . . . 0.0 114.263 172.531 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 36.4 ttm . . . . . 0 N--CA 1.418 -2.048 0 N-CA-C 101.934 -3.358 . . . . 0.0 101.934 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 39.9 mm -55.15 154.62 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.893 0 C-N-CA 127.75 2.42 . . . . 0.0 113.869 166.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -134.61 156.29 48.97 Favored 'General case' 0 CA--C 1.468 -2.197 0 CA-C-O 117.556 -1.211 . . . . 0.0 110.495 173.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . 0.321 15.8 m -150.2 159.53 44.36 Favored 'General case' 0 C--O 1.178 -2.674 0 C-N-CA 130.736 3.614 . . . . 0.0 107.54 -166.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.452 HD13 ' HB2' ' B' ' 88' ' ' ALA . 2.7 mt -58.79 131.2 50.22 Favored 'General case' 0 C--O 1.213 -0.839 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 160.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -55.22 -48.62 73.63 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 127.572 2.349 . . . . 0.0 110.027 -168.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -154.49 174.58 14.72 Favored 'General case' 0 N--CA 1.422 -1.843 0 O-C-N 119.766 -1.834 . . . . 0.0 112.607 141.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 2.0 pp -65.41 -8.68 6.29 Favored 'Isoleucine or valine' 0 C--O 1.261 1.705 0 C-N-CA 130.566 3.546 . . . . 0.0 115.014 -169.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -51.49 -62.48 1.6 Allowed 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 119.091 -2.256 . . . . 0.0 111.275 164.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 m -82.71 -20.92 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.808 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 -175.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.452 ' HB2' HD13 ' B' ' 82' ' ' LEU . . . -54.19 -37.66 64.76 Favored 'General case' 0 C--O 1.184 -2.353 0 C-N-CA 116.981 -1.888 . . . . 0.0 112.079 163.326 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 73.6 m -64.55 -58.2 7.02 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 130.134 3.374 . . . . 0.0 108.077 178.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 11.8 tmm? -40.62 -53.48 2.74 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.931 -1.73 . . . . 0.0 115.25 170.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 4.7 tt -60.38 -46.5 89.72 Favored 'General case' 0 N--CA 1.415 -2.221 0 O-C-N 125.336 1.648 . . . . 0.0 112.883 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -62.72 -35.89 81.2 Favored 'General case' 0 N--CA 1.425 -1.694 0 CA-C-O 123.026 1.393 . . . . 0.0 113.573 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -85.47 -11.28 54.68 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 119.04 -2.288 . . . . 0.0 115.717 176.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.49 -37.62 56.51 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 125.179 1.549 . . . . 0.0 110.487 177.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 1.7 mp -63.26 -45.12 99.14 Favored 'Isoleucine or valine' 0 C--N 1.375 1.694 0 O-C-N 124.845 1.341 . . . . 0.0 111.264 166.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -45.67 89.24 Favored 'General case' 0 C--N 1.377 1.785 0 CA-C-O 122.399 1.095 . . . . 0.0 109.398 -174.019 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . 0.28 8.2 t60 -55.14 -28.31 51.84 Favored 'General case' 0 N--CA 1.511 2.619 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 167.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.23 -0.88 57.8 Favored 'General case' 0 C--O 1.273 2.301 1 O-C-N 115.397 -4.564 . . . . 0.0 115.033 174.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -147.37 60.9 1.16 Allowed 'General case' 1 CA--C 1.63 4.055 0 CA-C-N 112.764 -2.016 . . . . 0.0 111.716 -168.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 22.5 m170 . . . . . 0 N--CA 1.496 1.857 0 CA-C-N 113.341 -1.754 . . . . 0.0 113.337 168.536 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.0 p . . . . . 0 CA--C 1.564 1.494 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.359 20.1 m-20 72.57 -47.92 0.68 Allowed 'General case' 0 C--O 1.248 1.01 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 176.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.5 p -149.96 -7.01 0.32 Allowed 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 128.009 2.524 . . . . 0.0 113.275 173.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.674 ' O ' HG23 ' A' ' 17' ' ' THR . 1.5 mm? -66.31 -31.24 71.91 Favored 'General case' 0 CA--C 1.582 2.186 0 N-CA-C 117.325 2.343 . . . . 0.0 117.325 -161.252 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.25 1.8 mt-10 -73.55 -31.75 63.81 Favored 'General case' 0 N--CA 1.476 0.836 1 CA-C-O 111.488 -4.101 . . . . 0.0 112.756 169.144 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.444 ' HG2' ' HB1' ' B' ' 98' ' ' ALA . 35.4 ttm180 -78.4 -10.18 59.59 Favored 'General case' 1 N--CA 1.547 4.411 0 N-CA-C 118.579 2.807 . . . . 0.0 118.579 165.377 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.533 HG12 ' CZ ' ' A' ' 20' ' ' PHE . 11.1 t -84.35 -45.34 18.0 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.58 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 167.261 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 13' ' ' LEU 0.258 25.8 p -49.86 -32.53 14.58 Favored 'General case' 0 C--N 1.411 3.26 0 CA-C-N 120.99 1.723 . . . . 0.0 111.883 170.091 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -70.1 -17.84 63.23 Favored 'General case' 0 C--O 1.2 -1.507 0 CA-C-O 114.139 -2.838 . . . . 0.0 115.693 174.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.328 2.2 pp -101.67 3.78 10.6 Favored 'Isoleucine or valine' 0 C--O 1.267 2.023 0 CA-C-N 121.566 1.985 . . . . 0.0 112.806 166.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.533 ' CZ ' HG12 ' A' ' 16' ' ' VAL . 6.0 m-85 -94.62 -32.03 13.59 Favored 'General case' 0 N--CA 1.505 2.296 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 162.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -59.35 63.07 0.0 OUTLIER 'General case' 0 CA--C 1.567 1.626 0 C-N-CA 128.839 2.855 . . . . 0.0 107.165 146.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -176.88 -13.92 0.01 OUTLIER 'General case' 0 N--CA 1.537 3.894 1 C-N-CA 132.612 4.365 . . . . 0.0 113.213 174.103 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.4 mt -106.98 -122.91 0.24 Allowed 'General case' 0 CA--C 1.58 2.114 0 O-C-N 118.163 -2.835 . . . . 0.0 107.262 -165.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.55 -22.26 0.18 Allowed Glycine 0 CA--C 1.541 1.695 0 C-N-CA 129.693 3.52 . . . . 0.0 119.043 168.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -107.91 177.42 4.82 Favored 'General case' 0 CA--C 1.571 1.782 0 CA-C-O 124.548 2.118 . . . . 0.0 108.718 -167.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -93.76 -92.34 0.18 Allowed 'General case' 0 N--CA 1.515 2.782 0 C-N-CA 127.308 2.243 . . . . 0.0 108.71 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -50.06 -45.78 52.64 Favored 'General case' 0 C--N 1.393 2.49 0 O-C-N 117.671 -3.143 . . . . 0.0 112.859 -170.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -29.15 -49.53 0.08 Allowed 'General case' 0 N--CA 1.535 3.789 0 N-CA-C 118.315 2.709 . . . . 0.0 118.315 172.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.321 6.5 pt -97.99 -10.62 8.78 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.041 0 C-N-CA 128.068 2.547 . . . . 0.0 115.615 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.1 ttp85 -69.52 -22.28 63.6 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 129.598 3.159 . . . . 0.0 110.935 165.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . 0.252 17.0 mt -72.1 -52.12 26.51 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-N 113.89 -1.505 . . . . 0.0 109.503 169.29 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . 0.295 42.2 mtm -79.91 -36.61 36.15 Favored 'General case' 0 CA--C 1.611 3.292 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 -167.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -23.6 -44.75 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.746 0 N-CA-C 118.254 2.687 . . . . 0.0 118.254 139.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.484 ' C ' HD13 ' A' ' 34' ' ' LEU 0.315 0.4 OUTLIER -95.45 -33.56 12.42 Favored 'General case' 0 C--O 1.277 2.524 0 CA-C-N 122.416 2.371 . . . . 0.0 111.648 -173.371 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.04 -8.08 14.67 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 119.295 -2.128 . . . . 0.0 115.188 174.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 63.5 m -86.81 -1.1 57.51 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-N 109.258 -3.61 . . . . 0.0 113.479 175.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 35.3 m -138.52 -44.51 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.584 2.275 0 C-N-CA 129.422 3.089 . . . . 0.0 118.914 167.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -142.74 112.5 6.9 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -73.84 125.76 28.89 Favored 'General case' 0 C--O 1.246 0.906 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 -169.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.76 152.54 49.14 Favored 'General case' 0 CA--C 1.597 2.754 0 CA-C-N 121.703 2.047 . . . . 0.0 111.075 -175.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.3 t -88.27 159.94 17.89 Favored 'General case' 0 C--O 1.183 -2.422 0 CA-C-N 111.659 -2.519 . . . . 0.0 116.218 163.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.1 t -10.42 -55.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.474 -1.965 0 CA-C-O 112.8 -3.476 . . . . 0.0 119.427 162.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.96 -42.99 50.78 Favored Glycine 0 CA--C 1.555 2.569 0 CA-C-N 124.787 3.449 . . . . 0.0 117.819 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -79.87 -36.11 37.14 Favored 'General case' 0 N--CA 1.435 -1.215 0 O-C-N 116.9 -3.706 . . . . 0.0 109.733 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.8 mt -48.79 -68.64 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.602 2.945 0 C-N-CA 115.89 -2.324 . . . . 0.0 109.816 170.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.9 m -49.28 -28.31 4.63 Favored 'General case' 0 CA--C 1.475 -1.918 0 CA-C-O 115.104 -2.379 . . . . 0.0 112.331 -175.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -82.4 -58.48 2.91 Favored 'General case' 0 CA--C 1.577 1.993 0 CA-C-N 122.702 2.501 . . . . 0.0 112.094 167.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -57.18 -42.97 82.17 Favored 'General case' 0 N--CA 1.52 3.032 0 N-CA-C 117.166 2.284 . . . . 0.0 117.166 -176.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.428 ' N ' HD12 ' A' ' 49' ' ' LEU . 6.7 mp -82.77 -20.1 36.52 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 118.903 -2.373 . . . . 0.0 114.456 169.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.9 m120 68.37 53.65 0.58 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 126.731 2.519 . . . . 0.0 115.336 -173.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.1 mt -98.83 -123.99 0.15 Allowed 'General case' 0 C--O 1.266 1.951 0 O-C-N 120.899 -1.126 . . . . 0.0 113.164 173.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.72 139.42 5.36 Favored 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 129.714 3.206 . . . . 0.0 106.75 -174.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -66.54 -38.13 86.46 Favored 'General case' 0 CA--C 1.577 2.017 0 CA-C-O 115.02 -2.419 . . . . 0.0 111.034 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.6 m -58.7 -37.22 75.62 Favored 'General case' 0 C--O 1.2 -1.509 0 CA-C-N 123.131 2.696 . . . . 0.0 113.423 169.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -83.24 -24.24 32.42 Favored 'General case' 0 C--N 1.288 -2.084 0 CA-C-N 120.507 1.503 . . . . 0.0 112.02 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.2 t -94.33 -22.28 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.29 1 O-C-N 113.393 -5.817 . . . . 0.0 109.695 176.152 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . 0.253 15.7 m -58.72 -0.83 0.12 Allowed 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 118.224 2.675 . . . . 0.0 118.224 152.216 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 61.3 t-80 -123.65 -51.65 1.82 Allowed 'General case' 0 N--CA 1.502 2.17 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -77.67 -34.56 52.97 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 118.303 -2.748 . . . . 0.0 113.966 -162.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.472 HD21 ' CD1' ' A' ' 80' ' ' TYR 0.29 12.3 tp -61.03 -45.04 96.42 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 117.23 -1.366 . . . . 0.0 109.508 167.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -63.3 -35.99 82.18 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 124.33 1.019 . . . . 0.0 112.217 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -60.56 -59.57 5.19 Favored 'General case' 0 CA--C 1.618 3.596 0 CA-C-N 113.337 -1.756 . . . . 0.0 110.415 174.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 37.7 mt -65.81 -29.03 69.45 Favored 'General case' 0 CA--C 1.489 -1.373 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.804 -167.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -41.38 88.75 Favored 'General case' 0 C--N 1.311 -1.101 0 C-N-CA 127.17 2.188 . . . . 0.0 112.676 175.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.2 m -70.86 -13.12 61.92 Favored 'General case' 0 CA--C 1.581 2.168 0 O-C-N 127.652 3.095 . . . . 0.0 114.116 166.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.419 27.5 m -114.8 19.38 7.2 Favored 'Isoleucine or valine' 0 C--O 1.253 1.271 0 O-C-N 124.218 0.949 . . . . 0.0 113.508 171.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 48.67 24.8 0.85 Allowed 'General case' 0 C--N 1.372 1.581 0 C-N-CA 129.979 3.312 . . . . 0.0 114.436 172.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.2 mp -84.83 -23.3 29.12 Favored 'General case' 0 N--CA 1.533 3.711 0 C-N-CA 116.188 -2.205 . . . . 0.0 111.205 160.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.5 t -112.53 155.22 13.84 Favored 'Isoleucine or valine' 0 C--O 1.28 2.671 0 C-N-CA 125.969 1.708 . . . . 0.0 110.007 -179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -138.01 128.17 25.92 Favored 'General case' 0 N--CA 1.415 -2.21 0 C-N-CA 125.509 1.523 . . . . 0.0 107.243 176.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.508 ' HB2' ' CE2' ' A' ' 80' ' ' TYR . . . -77.49 147.62 35.77 Favored 'General case' 0 N--CA 1.521 3.077 0 O-C-N 119.902 -1.749 . . . . 0.0 115.085 163.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -126.28 135.02 51.03 Favored 'General case' 0 N--CA 1.517 2.89 0 C-N-CA 125.569 1.548 . . . . 0.0 111.929 153.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 . . . . . 0 CA--C 1.566 1.594 0 O-C-N 119.845 -1.785 . . . . 0.0 113.552 -178.351 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 73.0 mtm . . . . . 0 CA--C 1.593 2.616 0 N-CA-C 104.474 -2.417 . . . . 0.0 104.474 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.7 mm -90.87 148.94 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.152 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 161.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.508 ' CE2' ' HB2' ' A' ' 71' ' ' ALA . 70.4 m-85 -137.0 144.15 43.15 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 114.963 -2.446 . . . . 0.0 112.995 -165.435 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.1 m -140.86 172.43 12.7 Favored 'General case' 0 C--O 1.201 -1.486 0 C-N-CA 131.589 3.956 . . . . 0.0 109.167 -154.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.69 164.35 12.23 Favored 'General case' 0 C--O 1.2 -1.519 0 C-N-CA 119.343 -0.943 . . . . 0.0 110.648 157.413 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -76.29 -41.85 47.34 Favored 'General case' 0 C--N 1.317 -0.841 0 O-C-N 120.024 -1.672 . . . . 0.0 113.718 174.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.7 p30 -155.77 -173.39 4.51 Favored 'General case' 0 C--O 1.203 -1.366 0 CA-C-O 125.105 2.383 . . . . 0.0 110.037 158.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.0 tp -55.61 -27.98 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.052 0 CA-C-O 114.117 -2.849 . . . . 0.0 116.769 176.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -59.64 -57.75 11.57 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 126.939 2.649 . . . . 0.0 115.01 169.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -73.56 -34.35 41.85 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.442 0 O-C-N 119.082 -2.261 . . . . 0.0 110.244 -175.628 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.92 -32.61 66.12 Favored 'General case' 0 CA--C 1.615 3.461 0 CA-C-O 117.449 -1.263 . . . . 0.0 109.935 169.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 86.1 m -83.1 -36.28 24.96 Favored 'General case' 0 C--O 1.173 -2.922 0 CA-C-O 116.127 -1.892 . . . . 0.0 111.887 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 49.0 ttp -50.54 -62.99 1.27 Allowed 'General case' 0 N--CA 1.479 1.023 0 O-C-N 126.638 2.461 . . . . 0.0 110.233 173.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.1 tt -59.21 -37.4 77.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.306 -1.496 . . . . 0.0 113.305 176.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -70.79 -31.2 67.89 Favored 'General case' 0 CA--C 1.488 -1.43 0 CA-C-O 114.323 -2.751 . . . . 0.0 111.337 -176.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -96.28 2.72 53.11 Favored 'General case' 0 C--N 1.291 -1.965 1 CA-C-N 126.601 4.273 . . . . 0.0 113.986 -178.449 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.502 ' C ' ' H ' ' A' ' 96' ' ' HIS . . . -81.67 -53.33 6.31 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-O 114.127 -2.844 . . . . 0.0 107.663 151.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -61.06 15.34 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 128.645 2.778 . . . . 0.0 115.494 168.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.502 ' H ' ' C ' ' A' ' 94' ' ' ALA . 0.8 OUTLIER -128.99 -13.31 4.58 Favored 'General case' 0 C--O 1.186 -2.278 0 C-N-CA 129.091 2.956 . . . . 0.0 115.286 -179.642 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -116.3 -7.32 11.78 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 125.478 1.511 . . . . 0.0 113.799 169.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.641 ' HB2' HG13 ' B' ' 16' ' ' VAL . . . -54.44 -31.99 56.62 Favored 'General case' 0 CA--C 1.566 1.589 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 164.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -145.1 151.39 38.42 Favored 'General case' 0 N--CA 1.412 -2.363 0 C-N-CA 125.489 1.516 . . . . 0.0 110.742 174.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -129.28 53.57 11.91 Favored Pre-proline 0 C--O 1.25 1.129 0 O-C-N 127.127 2.767 . . . . 0.0 111.48 -175.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo . . . . . 0 C--O 1.284 2.779 0 CA-C-O 127.178 2.907 . . . . 0.0 115.24 177.276 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 36.7 p . . . . . 0 C--O 1.249 1.038 0 N-CA-C 113.04 0.755 . . . . 0.0 113.04 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 49.51 -42.13 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.56 1 C-N-CA 133.132 4.573 . . . . 0.0 115.725 -165.407 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 63.4 p -114.56 -52.94 2.69 Favored 'General case' 0 C--O 1.252 1.185 0 O-C-N 125.87 1.981 . . . . 0.0 116.107 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.21 -48.06 24.21 Favored 'General case' 0 N--CA 1.511 2.608 0 O-C-N 117.053 -3.53 . . . . 0.0 120.125 -170.159 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -66.52 5.11 0.63 Allowed 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 128.195 2.598 . . . . 0.0 115.409 174.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.97 -22.82 2.03 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 113.858 -1.519 . . . . 0.0 108.715 -174.434 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.641 HG13 ' HB2' ' A' ' 98' ' ' ALA . 25.7 m -93.52 -6.22 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.614 0 O-C-N 118.388 -2.695 . . . . 0.0 115.657 165.365 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 54.3 p -64.03 -29.92 71.03 Favored 'General case' 0 CA--C 1.577 1.988 0 N-CA-C 105.923 -1.88 . . . . 0.0 105.923 167.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -54.01 -39.17 65.87 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 124.726 1.211 . . . . 0.0 113.867 165.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.523 HD12 HG12 ' B' ' 16' ' ' VAL . 53.9 mt -86.12 -57.75 4.04 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.193 0 CA-C-O 123.649 1.69 . . . . 0.0 110.74 177.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -78.74 -12.69 60.03 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 119.527 -1.983 . . . . 0.0 110.447 -156.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.5 pttm -83.08 -36.67 24.7 Favored 'General case' 0 C--O 1.243 0.761 1 O-C-N 116.254 -4.029 . . . . 0.0 114.272 159.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.27 -14.4 62.96 Favored 'General case' 0 C--O 1.207 -1.177 0 CA-C-O 123.803 1.763 . . . . 0.0 115.331 -170.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 22.6 mt -65.55 -11.36 43.15 Favored 'General case' 0 CA--C 1.575 1.93 0 CA-C-N 110.892 -2.867 . . . . 0.0 118.028 -174.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.2 35.76 0.31 Allowed Glycine 0 CA--C 1.559 2.833 0 C-N-CA 130.486 3.898 . . . . 0.0 116.354 -173.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -144.29 127.86 17.06 Favored 'General case' 0 N--CA 1.508 2.471 0 CA-C-N 120.441 2.12 . . . . 0.0 105.472 161.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -29.43 69.43 Favored 'General case' 0 CA--C 1.595 2.682 0 O-C-N 118.991 -2.318 . . . . 0.0 106.86 -177.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -72.04 -41.03 67.96 Favored 'General case' 0 CA--C 1.577 1.982 0 O-C-N 119.216 -2.178 . . . . 0.0 109.499 -172.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.419 ' HA ' HD12 ' B' ' 31' ' ' ILE . 95.3 mtt180 -50.57 -35.45 29.99 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 125.486 2.565 . . . . 0.0 114.776 167.42 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 13.8 mm -91.34 -28.4 4.78 Favored 'Isoleucine or valine' 0 C--O 1.261 1.695 0 CA-C-N 111.85 -2.432 . . . . 0.0 111.008 -169.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . 0.31 11.5 ttt180 -70.32 -33.54 71.63 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 118.75 -2.469 . . . . 0.0 108.374 171.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' B' ' 28' ' ' ARG . 26.2 mt -52.93 -47.58 52.84 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.606 0 O-C-N 124.65 1.219 . . . . 0.0 113.868 161.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 75.7 mtm -97.08 -33.52 11.49 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-N 121.699 2.045 . . . . 0.0 112.169 -158.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -34.75 -63.92 0.29 Allowed 'General case' 0 CA--C 1.572 1.804 0 O-C-N 125.33 1.644 . . . . 0.0 112.987 140.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.634 ' C ' HD13 ' B' ' 34' ' ' LEU . 1.2 tm? -57.93 -44.47 86.93 Favored 'General case' 0 C--N 1.365 1.258 0 CA-C-N 121.149 1.795 . . . . 0.0 115.356 -178.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.538 ' N ' HD13 ' B' ' 34' ' ' LEU . 79.6 mt -58.92 -33.51 70.66 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-O 126.707 3.146 . . . . 0.0 110.178 -172.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' SER . . . . . 0.445 ' HB3' HD11 ' B' ' 82' ' ' LEU . 6.0 p -66.19 -17.86 64.99 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 112.089 -2.323 . . . . 0.0 113.831 -172.554 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 35.4 m -106.88 -47.85 8.37 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.601 0 O-C-N 127.355 2.91 . . . . 0.0 117.622 165.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 33.1 m -140.47 137.36 33.82 Favored 'General case' 0 CA--C 1.494 -1.197 0 CA-C-N 123.483 2.856 . . . . 0.0 110.981 158.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.99 144.17 53.87 Favored 'General case' 0 C--O 1.293 3.38 0 CA-C-O 117.662 -1.161 . . . . 0.0 111.391 -176.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -140.54 157.23 45.79 Favored 'General case' 0 CA--C 1.602 2.946 0 CA-C-N 119.994 1.27 . . . . 0.0 108.481 166.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 26.6 t -117.18 156.89 26.9 Favored 'General case' 0 N--CA 1.424 -1.751 0 C-N-CA 125.546 1.539 . . . . 0.0 113.727 169.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 99.5 t -16.86 -56.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.137 1 C-N-CA 132.228 4.211 . . . . 0.0 113.565 -171.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.75 -46.67 7.69 Favored Glycine 0 N--CA 1.494 2.512 0 CA-C-N 122.337 2.335 . . . . 0.0 110.146 -169.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 -55.6 -50.73 69.34 Favored 'General case' 0 CA--C 1.567 1.603 0 CA-C-O 115.856 -2.021 . . . . 0.0 113.075 168.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.851 HG23 HD13 ' B' ' 49' ' ' LEU . 55.7 mt -56.07 -47.63 80.11 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 CA-C-N 122.669 2.486 . . . . 0.0 108.791 177.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 72.3 m -56.22 -32.17 64.18 Favored 'General case' 0 CA--C 1.604 3.021 0 O-C-N 118.105 -2.872 . . . . 0.0 115.204 174.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.44 -53.7 7.33 Favored 'General case' 0 CA--C 1.585 2.313 0 C-N-CA 116.528 -2.069 . . . . 0.0 113.153 167.12 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -57.56 -34.38 69.13 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.24 2.216 . . . . 0.0 114.809 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.851 HD13 HG23 ' B' ' 45' ' ' ILE . 6.0 mp -111.48 8.89 21.27 Favored 'General case' 0 C--N 1.269 -2.913 0 C-N-CA 128.666 2.786 . . . . 0.0 113.524 -177.314 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 35.2 m120 42.24 56.42 3.65 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-O 123.847 1.784 . . . . 0.0 109.64 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 14.7 mt -115.35 168.59 9.84 Favored 'General case' 0 C--N 1.358 0.962 0 O-C-N 118.72 -2.487 . . . . 0.0 105.031 171.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.1 t -68.74 140.14 55.36 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 120.552 3.538 . . . . 0.0 120.552 161.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -60.92 -39.74 90.55 Favored 'General case' 0 C--O 1.211 -0.93 0 C-N-CA 124.661 1.184 . . . . 0.0 110.6 177.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.4 -22.1 66.75 Favored 'General case' 0 C--O 1.254 1.303 0 C-N-CA 125.181 1.392 . . . . 0.0 114.325 170.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . 0.256 14.9 t-20 -76.97 -48.92 16.7 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 126.586 1.955 . . . . 0.0 106.466 177.095 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.2 t -79.43 -25.29 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.969 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -178.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 60.4 m -56.89 -2.57 0.09 Allowed 'General case' 0 N--CA 1.513 2.679 0 O-C-N 118.584 -2.572 . . . . 0.0 113.378 165.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -129.24 -37.91 1.62 Allowed 'General case' 0 N--CA 1.511 2.614 0 O-C-N 120.442 -1.412 . . . . 0.0 112.808 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -79.76 -33.82 40.34 Favored 'General case' 0 C--O 1.208 -1.088 0 O-C-N 128.047 3.342 . . . . 0.0 108.74 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.562 HD21 ' CG ' ' B' ' 80' ' ' TYR . 13.0 tp -65.63 -31.63 72.76 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 172.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -71.16 -39.53 71.86 Favored 'General case' 0 C--O 1.272 2.246 0 N-CA-C 117.697 2.48 . . . . 0.0 117.697 168.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.418 HD13 ' C ' ' B' ' 62' ' ' LEU . 1.4 tm? -55.24 -52.81 62.2 Favored 'General case' 0 CA--C 1.491 -1.32 0 CA-C-O 122.397 1.094 . . . . 0.0 111.787 170.182 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.41 ' N ' HD13 ' B' ' 62' ' ' LEU . 19.6 mt -60.03 -37.19 79.05 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 125.809 1.644 . . . . 0.0 113.505 -174.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -59.22 -54.28 48.7 Favored 'General case' 0 C--O 1.206 -1.223 1 CA-C-N 107.947 -4.206 . . . . 0.0 112.574 172.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . 0.266 5.4 m -58.97 -14.34 9.01 Favored 'General case' 0 N--CA 1.518 2.975 0 CA-C-O 114.149 -2.834 . . . . 0.0 112.583 170.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . 0.25 29.5 m -121.81 28.24 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.931 0 CA-C-N 124.749 3.431 . . . . 0.0 110.153 177.203 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . 0.323 13.8 m170 70.02 -0.64 2.68 Favored 'General case' 0 C--O 1.264 1.841 0 O-C-N 118.201 -2.812 . . . . 0.0 117.698 155.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 3.6 mp -84.32 -16.69 42.08 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-N 124.071 3.123 . . . . 0.0 117.358 165.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 t -117.17 143.24 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 127.82 2.448 . . . . 0.0 111.902 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -127.21 153.47 46.05 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 127.233 2.213 . . . . 0.0 109.522 158.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' ALA . . . . . 0.404 ' HB1' ' SD ' ' B' ' 78' ' ' MET . . . -101.76 148.35 25.39 Favored 'General case' 0 CA--C 1.564 1.517 0 C-N-CA 129.052 2.941 . . . . 0.0 114.155 162.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 35.8 pttt . . . . . 0 C--N 1.306 -1.289 0 C-N-CA 126.083 1.753 . . . . 0.0 115.682 173.462 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.404 ' SD ' ' HB1' ' B' ' 71' ' ' ALA . 38.0 ttm . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 116.038 -1.934 . . . . 0.0 106.048 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 15.9 mm -101.17 145.88 10.58 Favored 'Isoleucine or valine' 0 C--O 1.265 1.874 0 CA-C-N 124.878 3.49 . . . . 0.0 103.877 -174.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' TYR . . . . . 0.562 ' CG ' HD21 ' B' ' 60' ' ' LEU . 61.3 m-85 -123.1 135.37 54.35 Favored 'General case' 0 CA--C 1.59 2.502 0 O-C-N 116.773 -3.704 . . . . 0.0 110.165 -174.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.18 177.71 4.63 Favored 'General case' 0 CA--C 1.483 -1.607 0 C-N-CA 131.564 3.946 . . . . 0.0 115.66 -174.327 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.688 HD13 ' HB2' ' B' ' 88' ' ' ALA . 22.7 mt -75.35 142.39 43.18 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 127.922 2.489 . . . . 0.0 104.992 155.279 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -69.9 -53.3 18.59 Favored 'General case' 0 C--N 1.388 2.251 0 CA-C-N 119.434 1.016 . . . . 0.0 110.917 -174.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . 0.275 3.9 p30 -138.73 171.4 14.4 Favored 'General case' 0 CA--C 1.624 3.804 0 CA-C-O 126.682 3.134 . . . . 0.0 111.358 141.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.417 ' H ' HG13 ' B' ' 85' ' ' ILE . 2.5 pp -66.4 0.95 0.68 Allowed 'Isoleucine or valine' 0 C--O 1.215 -0.726 0 N-CA-C 117.448 2.388 . . . . 0.0 117.448 175.322 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -57.55 -58.25 9.11 Favored 'General case' 0 C--N 1.362 1.144 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 161.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 3.4 m -75.15 -23.92 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 120.851 -1.156 . . . . 0.0 111.694 -170.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.688 ' HB2' HD13 ' B' ' 82' ' ' LEU . . . -61.58 -37.38 83.63 Favored 'General case' 0 C--O 1.19 -2.039 0 CA-C-O 121.841 0.829 . . . . 0.0 109.871 171.016 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 61.3 m -73.15 -44.67 59.71 Favored 'General case' 0 C--O 1.259 1.598 0 CA-C-O 114.951 -2.452 . . . . 0.0 109.391 178.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -47.36 -46.47 25.76 Favored 'General case' 0 C--O 1.255 1.369 0 CA-C-N 121.371 1.896 . . . . 0.0 111.565 167.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.441 HD23 HD13 ' B' ' 95' ' ' ILE . 5.5 tt -75.55 -48.55 21.94 Favored 'General case' 0 N--CA 1.418 -2.072 0 O-C-N 124.138 0.899 . . . . 0.0 111.961 -168.148 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -52.68 -35.48 55.34 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 115.667 -2.111 . . . . 0.0 115.398 167.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -77.84 -24.12 48.73 Favored 'General case' 0 N--CA 1.511 2.624 0 O-C-N 126.142 2.151 . . . . 0.0 111.061 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.14 -52.46 12.46 Favored 'General case' 0 CA--C 1.598 2.793 0 CA-C-O 114.634 -2.603 . . . . 0.0 109.971 174.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.441 HD13 HD23 ' B' ' 91' ' ' LEU . 1.6 mp -44.38 -47.65 2.38 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.875 0 C-N-CA 126.293 1.837 . . . . 0.0 111.201 161.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -65.44 -49.37 69.41 Favored 'General case' 0 CA--C 1.576 1.943 0 O-C-N 124.116 0.885 . . . . 0.0 113.064 -173.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -64.35 -20.44 66.11 Favored 'General case' 0 CA--C 1.583 2.216 0 CA-C-O 114.474 -2.679 . . . . 0.0 116.652 174.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.444 ' HB1' ' HG2' ' A' ' 15' ' ' ARG . . . -95.91 0.96 52.62 Favored 'General case' 0 CA--C 1.571 1.783 0 CA-C-N 121.377 1.898 . . . . 0.0 111.229 174.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -144.56 62.72 1.32 Allowed 'General case' 0 C--O 1.265 1.91 0 O-C-N 119.254 -2.154 . . . . 0.0 110.876 172.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 67.6 m170 . . . . . 0 CA--C 1.557 1.214 0 CA-C-O 115.96 -1.971 . . . . 0.0 107.583 172.639 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.5 2.038 0 CA-C-O 113.275 -3.25 . . . . 0.0 112.212 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.298 11.9 m-20 60.13 -49.37 0.09 Allowed 'General case' 0 C--N 1.382 2.018 0 O-C-N 128.22 3.45 . . . . 0.0 118.135 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.9 p -127.6 -20.71 3.91 Favored 'General case' 0 N--CA 1.425 -1.696 0 O-C-N 118.582 -2.574 . . . . 0.0 109.006 170.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -56.41 -33.08 65.45 Favored 'General case' 0 C--O 1.18 -2.561 0 C-N-CA 129.869 3.268 . . . . 0.0 116.207 -162.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -71.53 -28.09 63.64 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 105.531 -2.026 . . . . 0.0 105.531 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -84.72 -5.29 59.31 Favored 'General case' 0 C--O 1.209 -1.049 0 CA-C-O 121.908 0.861 . . . . 0.0 112.246 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.475 HG12 ' CZ ' ' A' ' 20' ' ' PHE . 11.3 t -100.01 -38.63 6.74 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.317 0 C-N-CA 127.054 2.142 . . . . 0.0 107.773 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.7 p -72.26 -14.9 61.89 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 119.072 -2.267 . . . . 0.0 106.272 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -64.78 -35.99 82.88 Favored 'General case' 0 N--CA 1.514 2.738 0 N-CA-C 104.829 -2.285 . . . . 0.0 104.829 169.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.388 2.1 pp -102.93 21.46 2.59 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 CA-C-O 113.35 -3.214 . . . . 0.0 112.426 -177.198 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.475 ' CZ ' HG12 ' A' ' 16' ' ' VAL . 8.3 m-85 -107.93 -27.69 10.04 Favored 'General case' 0 CA--C 1.564 1.491 0 CA-C-N 122.864 2.575 . . . . 0.0 112.415 161.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -77.91 69.65 4.17 Favored 'General case' 0 C--O 1.274 2.377 0 CA-C-O 127.801 3.667 . . . . 0.0 107.727 161.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -169.67 -42.21 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 110.829 -2.896 . . . . 0.0 109.682 -174.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.3 mt -75.47 -128.48 0.01 OUTLIER 'General case' 0 CA--C 1.58 2.134 0 C-N-CA 129.662 3.185 . . . . 0.0 108.472 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.46 7.35 7.39 Favored Glycine 2 N--CA 1.529 4.893 0 N-CA-C 121.854 3.502 . . . . 0.0 121.854 169.643 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . 0.362 49.9 t0 -137.89 160.64 38.76 Favored 'General case' 0 N--CA 1.503 2.189 0 C-N-CA 126.393 1.877 . . . . 0.0 108.992 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -86.32 -68.65 0.72 Allowed 'General case' 0 C--O 1.28 2.708 0 CA-C-O 126.738 3.161 . . . . 0.0 117.358 -171.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -56.57 -51.71 67.58 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 117.133 -3.48 . . . . 0.0 107.345 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -27.02 -35.7 0.01 OUTLIER 'General case' 0 C--O 1.195 -1.8 0 N-CA-C 118.614 2.82 . . . . 0.0 118.614 171.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.421 HG13 HD11 ' B' ' 13' ' ' LEU 0.265 2.3 pt -111.53 -21.2 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.637 0 CA-C-O 113.945 -2.931 . . . . 0.0 113.693 173.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.9 ttp85 -57.52 -16.73 10.7 Favored 'General case' 0 N--CA 1.519 2.989 0 O-C-N 125.456 1.722 . . . . 0.0 111.768 162.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.6 mt -84.86 -34.46 9.1 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.899 0 O-C-N 120.022 -1.674 . . . . 0.0 112.28 176.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.1 mtm -84.21 -34.13 23.99 Favored 'General case' 0 CA--C 1.578 2.043 0 O-C-N 117.202 -3.436 . . . . 0.0 112.292 -175.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.44 ' HA ' HD22 ' A' ' 91' ' ' LEU . 1.5 tm-20 -37.81 -39.74 0.38 Allowed 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 150.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.489 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.5 tm? -83.38 -49.82 8.96 Favored 'General case' 0 C--O 1.197 -1.69 0 O-C-N 119.06 -2.275 . . . . 0.0 112.972 177.086 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.421 HD23 ' H ' ' A' ' 40' ' ' ALA . 85.2 mt -53.8 -28.28 34.18 Favored 'General case' 0 C--O 1.262 1.74 0 O-C-N 118.635 -2.54 . . . . 0.0 114.792 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.2 m -57.09 -16.62 7.9 Favored 'General case' 0 CA--C 1.569 1.68 0 O-C-N 127.948 3.28 . . . . 0.0 119.141 169.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.2 m -125.26 -25.01 1.77 Allowed 'Isoleucine or valine' 0 C--O 1.301 3.777 0 O-C-N 128.142 3.401 . . . . 0.0 113.155 172.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.4 m -153.31 113.19 3.9 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 117.719 -3.113 . . . . 0.0 110.087 165.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -55.06 117.98 3.93 Favored 'General case' 0 C--O 1.269 2.096 0 C-N-CA 125.377 1.471 . . . . 0.0 112.845 174.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.421 ' H ' HD23 ' A' ' 35' ' ' LEU . . . -129.82 160.46 33.41 Favored 'General case' 0 N--CA 1.423 -1.791 0 C-N-CA 127.939 2.496 . . . . 0.0 113.185 -175.596 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.416 ' HB2' ' HA ' ' A' ' 79' ' ' ILE . 29.0 t -129.47 158.91 37.88 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 117.565 -3.209 . . . . 0.0 111.381 -178.577 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.404 HG23 ' H ' ' A' ' 42' ' ' VAL . 4.6 t -23.54 -53.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.527 3.386 0 C-N-CA 129.351 3.06 . . . . 0.0 118.198 -173.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.67 -52.85 49.49 Favored Glycine 0 CA--C 1.469 -2.809 0 CA-C-O 116.653 -2.193 . . . . 0.0 113.428 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -69.86 -36.71 75.73 Favored 'General case' 0 C--N 1.401 2.823 0 C-N-CA 127.824 2.45 . . . . 0.0 110.024 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . 0.271 96.1 mt -51.79 -60.7 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.19 -2.067 0 O-C-N 119.522 -1.986 . . . . 0.0 113.23 175.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.0 m -55.92 -6.76 0.25 Allowed 'General case' 0 C--O 1.24 0.589 0 CA-C-N 111.519 -2.582 . . . . 0.0 115.519 -173.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -124.97 -34.51 2.78 Favored 'General case' 0 C--N 1.373 1.589 0 O-C-N 119.326 -2.109 . . . . 0.0 113.921 -176.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -79.56 -34.75 40.68 Favored 'General case' 0 C--O 1.254 1.294 0 C-N-CA 126.868 2.067 . . . . 0.0 112.05 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.0 mp -103.81 9.34 37.0 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 117.95 -1.024 . . . . 0.0 111.38 171.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.297 2.3 m120 41.64 64.35 1.07 Allowed 'General case' 0 C--N 1.309 -1.168 1 C-N-CA 134.965 5.306 . . . . 0.0 116.371 -174.686 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.2 mt -106.03 -125.18 0.23 Allowed 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 116.817 -1.563 . . . . 0.0 110.494 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.8 p -163.88 154.85 15.92 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 122.027 2.194 . . . . 0.0 107.16 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -69.3 -44.09 72.47 Favored 'General case' 0 C--N 1.364 1.23 0 O-C-N 119.662 -1.899 . . . . 0.0 112.767 -165.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . 0.321 0.8 OUTLIER -67.11 -29.24 68.93 Favored 'General case' 0 CA--C 1.561 1.401 0 O-C-N 128.313 3.508 . . . . 0.0 109.171 178.903 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -71.86 -38.93 69.99 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 121.84 2.109 . . . . 0.0 106.358 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.1 t -82.68 -31.51 9.47 Favored 'Isoleucine or valine' 0 C--O 1.253 1.242 0 CA-C-O 117.439 -1.267 . . . . 0.0 111.886 -175.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.5 m -62.34 8.13 0.05 Allowed 'General case' 0 C--N 1.283 -2.306 0 O-C-N 125.167 1.542 . . . . 0.0 112.764 171.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -128.36 -37.24 1.85 Allowed 'General case' 0 CA--C 1.593 2.604 0 C-N-CA 128.53 2.732 . . . . 0.0 109.832 175.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -89.67 -43.69 10.55 Favored 'General case' 0 CA--C 1.585 2.301 0 CA-C-O 115.939 -1.981 . . . . 0.0 108.296 -168.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 tp -46.62 -55.27 7.93 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-N 119.004 0.82 . . . . 0.0 112.038 158.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -62.46 -35.17 78.47 Favored 'General case' 0 N--CA 1.444 -0.771 0 O-C-N 118.703 -2.498 . . . . 0.0 113.365 -178.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.449 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -67.89 -54.94 14.93 Favored 'General case' 0 C--N 1.292 -1.894 0 CA-C-N 120.353 1.433 . . . . 0.0 112.732 174.824 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.449 ' N ' HD13 ' A' ' 62' ' ' LEU . 45.9 mt -53.8 -30.26 44.17 Favored 'General case' 0 CA--C 1.567 1.607 0 O-C-N 126.565 2.415 . . . . 0.0 112.572 -173.162 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -52.68 -43.23 65.44 Favored 'General case' 0 CA--C 1.484 -1.589 0 C-N-CA 130.726 3.611 . . . . 0.0 115.5 171.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.1 m -82.29 -13.96 56.15 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 125.963 1.705 . . . . 0.0 109.471 -173.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.3 m -115.16 20.02 6.95 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.691 0 CA-C-O 117.177 -1.392 . . . . 0.0 113.393 -177.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.404 16.4 p80 60.08 24.37 13.61 Favored 'General case' 0 C--O 1.258 1.55 0 C-N-CA 129.162 2.985 . . . . 0.0 118.316 166.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.9 mp -97.08 -13.68 22.05 Favored 'General case' 0 CA--C 1.575 1.938 0 O-C-N 119.372 -2.08 . . . . 0.0 111.037 167.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.2 t -133.55 149.38 30.99 Favored 'Isoleucine or valine' 0 CA--C 1.62 3.662 0 O-C-N 128.4 3.563 . . . . 0.0 113.78 -174.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -152.24 116.49 4.97 Favored 'General case' 0 C--N 1.365 1.262 1 O-C-N 129.198 4.061 . . . . 0.0 108.969 -172.359 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.637 ' HB2' ' CZ ' ' A' ' 80' ' ' TYR . . . -69.04 157.83 36.01 Favored 'General case' 0 N--CA 1.509 2.521 0 N-CA-C 117.07 2.248 . . . . 0.0 117.07 168.288 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -161.5 156.76 23.94 Favored 'General case' 0 C--O 1.2 -1.514 0 O-C-N 126.817 2.573 . . . . 0.0 114.046 168.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 . . . . . 0 C--O 1.21 -0.999 0 O-C-N 119.028 -2.295 . . . . 0.0 113.98 -174.01 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 97.7 mmm . . . . . 0 N--CA 1.522 3.134 0 N-CA-C 102.477 -3.157 . . . . 0.0 102.477 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.416 ' HA ' ' HB2' ' A' ' 41' ' ' SER 0.349 21.6 mm -91.99 138.96 18.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 C-N-CA 125.916 1.686 . . . . 0.0 110.634 -175.476 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.637 ' CZ ' ' HB2' ' A' ' 71' ' ' ALA . 15.0 m-85 -118.18 145.0 45.27 Favored 'General case' 0 N--CA 1.438 -1.026 1 O-C-N 114.286 -5.259 . . . . 0.0 112.069 -174.515 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . 0.256 26.1 m -130.85 169.41 15.79 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 130.229 3.412 . . . . 0.0 114.854 -177.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -55.24 147.32 16.84 Favored 'General case' 0 N--CA 1.52 3.051 0 C-N-CA 124.088 0.955 . . . . 0.0 108.965 154.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.27 -46.57 89.37 Favored 'General case' 0 N--CA 1.527 3.384 0 O-C-N 124.811 1.32 . . . . 0.0 110.408 174.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -158.14 165.13 35.74 Favored 'General case' 0 N--CA 1.412 -2.326 0 CA-C-N 121.941 2.155 . . . . 0.0 115.044 169.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.9 tp -46.52 -25.7 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.586 2.359 0 O-C-N 116.876 -3.64 . . . . 0.0 115.582 172.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -57.21 -52.87 63.58 Favored 'General case' 0 C--O 1.272 2.237 2 CA-C-N 128.027 4.921 . . . . 0.0 110.649 170.422 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.99 -32.61 52.08 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.288 0 CA-C-O 117.866 -1.064 . . . . 0.0 113.098 -178.104 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.51 -41.16 72.7 Favored 'General case' 0 CA--C 1.589 2.454 0 O-C-N 124.508 1.13 . . . . 0.0 112.283 168.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.1 m -71.36 -47.49 56.01 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 113.596 -1.638 . . . . 0.0 107.204 -169.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.417 ' HA ' ' HG2' ' B' ' 90' ' ' MET . 26.9 ttp -38.85 -51.73 1.74 Allowed 'General case' 0 C--O 1.197 -1.695 0 C-N-CA 126.164 1.786 . . . . 0.0 111.663 171.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 33' ' ' GLU . 6.0 tt -81.79 -34.36 30.38 Favored 'General case' 0 CA--C 1.484 -1.564 0 O-C-N 120.829 -1.169 . . . . 0.0 112.612 -173.323 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.7 tttp -69.81 -44.05 70.81 Favored 'General case' 0 C--O 1.191 -1.983 0 O-C-N 123.96 0.788 . . . . 0.0 110.688 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.413 ' HA ' ' HB2' ' A' ' 96' ' ' HIS . 94.2 mm-40 -72.58 -25.68 61.43 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 178.327 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.407 ' HB2' ' HG3' ' B' ' 90' ' ' MET . . . -74.39 -42.81 58.64 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-O 115.923 -1.989 . . . . 0.0 111.603 167.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.602 HD12 ' CG1' ' B' ' 16' ' ' VAL 0.304 0.4 OUTLIER -45.52 -19.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.903 0 CA-C-O 127.9 3.714 . . . . 0.0 116.77 157.87 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.413 ' HB2' ' HA ' ' A' ' 93' ' ' GLN . 40.7 m-70 -105.21 -12.69 15.98 Favored 'General case' 0 C--O 1.264 1.843 0 O-C-N 117.976 -2.952 . . . . 0.0 111.207 -174.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -92.62 -24.29 18.73 Favored 'General case' 0 C--O 1.253 1.265 0 CA-C-N 122.242 2.292 . . . . 0.0 108.804 167.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.35 -22.95 55.34 Favored 'General case' 0 C--O 1.247 0.957 0 O-C-N 119.16 -2.213 . . . . 0.0 116.339 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -150.37 155.87 40.44 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 125.62 1.825 . . . . 0.0 108.326 171.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -132.66 58.74 38.27 Favored Pre-proline 0 N--CA 1.503 2.214 0 O-C-N 126.839 2.587 . . . . 0.0 114.811 -175.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 C--N 1.394 2.96 0 N-CA-C 120.145 3.094 . . . . 0.0 120.145 -147.269 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 32.4 p . . . . . 0 CA--C 1.55 0.955 0 CA-C-O 117.135 -1.412 . . . . 0.0 114.628 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 48.69 -8.41 0.0 OUTLIER 'General case' 0 CA--C 1.566 1.568 0 C-N-CA 129.667 3.187 . . . . 0.0 115.83 -164.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.513 ' HB ' HG13 ' A' ' 95' ' ' ILE . 38.8 p -138.28 -76.02 0.38 Allowed 'General case' 0 N--CA 1.524 3.241 0 C-N-CA 130.361 3.464 . . . . 0.0 109.174 -152.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.465 HD22 HD11 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -54.31 -53.91 47.48 Favored 'General case' 0 N--CA 1.415 -2.193 0 CA-C-N 120.937 1.699 . . . . 0.0 115.429 177.258 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -71.15 14.72 0.14 Allowed 'General case' 0 N--CA 1.522 3.137 0 C-N-CA 117.625 -1.63 . . . . 0.0 113.452 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.66 -23.0 4.12 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 118.277 2.695 . . . . 0.0 118.277 164.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.602 ' CG1' HD12 ' A' ' 95' ' ' ILE . 20.9 m -80.83 -16.16 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.138 0 CA-C-N 120.87 1.668 . . . . 0.0 113.606 168.193 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 3.8 p -49.93 -42.38 48.26 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 125.17 1.388 . . . . 0.0 107.701 166.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -55.35 -44.72 76.22 Favored 'General case' 0 C--O 1.287 3.059 0 N-CA-C 117.752 2.501 . . . . 0.0 117.752 169.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 22.7 mt -77.84 -66.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.37 1.486 0 O-C-N 119.5 -2.0 . . . . 0.0 113.268 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-30 -51.02 -34.15 28.2 Favored 'General case' 0 N--CA 1.514 2.769 0 C-N-CA 128.037 2.535 . . . . 0.0 115.041 -167.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 29.9 pttt -77.75 -35.67 51.53 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 125.673 1.858 . . . . 0.0 113.899 175.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.78 3.46 19.45 Favored 'General case' 0 C--O 1.264 1.857 0 O-C-N 128.307 3.504 . . . . 0.0 119.715 -168.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 mt -81.64 -11.88 58.92 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 130.562 3.545 . . . . 0.0 111.46 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.94 24.04 0.25 Allowed Glycine 0 CA--C 1.548 2.151 1 N-CA-C 123.235 4.054 . . . . 0.0 123.235 -165.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -129.85 127.19 39.75 Favored 'General case' 0 CA--C 1.501 -0.907 0 C-N-CA 128.159 2.584 . . . . 0.0 106.895 171.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -65.32 -24.44 67.28 Favored 'General case' 0 N--CA 1.439 -1.021 0 O-C-N 124.792 1.307 . . . . 0.0 108.531 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.409 ' O ' HD12 ' B' ' 31' ' ' ILE . 51.4 m-80 -67.55 -44.51 78.1 Favored 'General case' 0 N--CA 1.503 2.192 1 O-C-N 116.182 -4.074 . . . . 0.0 109.399 -178.381 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -56.89 -31.22 64.65 Favored 'General case' 0 CA--C 1.511 -0.545 0 O-C-N 126.558 2.411 . . . . 0.0 110.991 178.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 33.7 mm -97.6 -38.55 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.555 0 CA-C-O 117.811 -1.09 . . . . 0.0 111.206 -167.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 26.7 ttt-85 -67.11 -24.24 65.91 Favored 'General case' 0 CA--C 1.599 2.846 0 CA-C-O 117.689 -1.148 . . . . 0.0 108.064 174.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.413 HG13 HD22 ' B' ' 49' ' ' LEU . 15.6 mt -67.76 -29.48 45.25 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.158 0 CA-C-O 113.664 -3.065 . . . . 0.0 112.0 167.304 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 75.2 mtm -101.78 -32.12 10.43 Favored 'General case' 0 C--O 1.187 -2.213 0 CA-C-N 124.079 3.127 . . . . 0.0 112.573 -171.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLU . . . . . 0.46 ' N ' HD22 ' B' ' 91' ' ' LEU . 2.7 tm-20 -35.37 -56.63 0.63 Allowed 'General case' 1 N--CA 1.543 4.221 0 C-N-CA 125.2 1.4 . . . . 0.0 112.675 140.35 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.418 HD13 ' N ' ' B' ' 35' ' ' LEU 0.255 0.4 OUTLIER -68.76 -53.94 18.93 Favored 'General case' 0 C--O 1.25 1.115 0 O-C-N 119.83 -1.794 . . . . 0.0 113.788 177.371 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.418 ' N ' HD13 ' B' ' 34' ' ' LEU . 21.4 mt -59.11 -33.42 70.83 Favored 'General case' 0 C--O 1.257 1.488 0 O-C-N 116.997 -3.564 . . . . 0.0 114.805 -170.016 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 84.3 p -76.38 -9.39 58.61 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 108.638 -3.892 . . . . 0.0 113.063 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 m -111.53 -38.83 3.32 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 O-C-N 117.555 -3.216 . . . . 0.0 114.487 167.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 6.3 t -149.86 130.99 14.45 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 119.759 -1.838 . . . . 0.0 113.601 167.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -80.34 132.26 35.77 Favored 'General case' 0 N--CA 1.51 2.561 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 -169.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -135.23 152.07 51.2 Favored 'General case' 0 CA--C 1.555 1.141 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 171.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.542 ' HB2' ' HA ' ' B' ' 79' ' ' ILE . 23.5 t -92.54 152.83 19.41 Favored 'General case' 0 CA--C 1.48 -1.717 0 O-C-N 127.135 2.772 . . . . 0.0 112.825 168.253 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.404 HG13 ' HB ' ' B' ' 56' ' ' VAL . 2.7 t -17.63 -60.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.362 1.123 0 C-N-CA 126.775 2.03 . . . . 0.0 116.283 170.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.46 -43.15 66.38 Favored Glycine 0 CA--C 1.564 3.155 0 CA-C-O 122.364 0.98 . . . . 0.0 112.857 -176.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 50.7 t60 -89.09 -34.68 16.67 Favored 'General case' 0 C--O 1.191 -1.993 0 CA-C-O 114.4 -2.714 . . . . 0.0 106.708 -175.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.457 HG23 HD13 ' B' ' 49' ' ' LEU . 84.3 mt -53.85 -45.85 63.08 Favored 'Isoleucine or valine' 0 C--N 1.368 1.374 0 CA-C-N 121.002 1.728 . . . . 0.0 112.32 170.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 19.9 m -53.66 -32.86 53.21 Favored 'General case' 0 N--CA 1.405 -2.679 0 CA-C-O 115.123 -2.37 . . . . 0.0 110.893 176.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -83.94 -47.98 10.46 Favored 'General case' 0 N--CA 1.528 3.457 0 CA-C-O 113.51 -3.138 . . . . 0.0 113.112 166.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -71.18 -13.57 61.97 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 121.669 2.031 . . . . 0.0 113.55 -170.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.457 HD13 HG23 ' B' ' 45' ' ' ILE . 5.4 mp -128.4 15.45 6.61 Favored 'General case' 0 C--O 1.186 -2.25 0 O-C-N 116.785 -3.697 . . . . 0.0 115.014 170.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 27.2 m120 50.76 48.74 22.3 Favored 'General case' 0 CA--C 1.595 2.703 0 C-N-CA 127.843 2.457 . . . . 0.0 110.775 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 26.6 mt -101.25 149.75 23.68 Favored 'General case' 0 C--O 1.267 1.986 0 C-N-CA 125.967 1.707 . . . . 0.0 109.674 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 8.2 p -79.1 151.71 31.24 Favored 'General case' 0 C--N 1.301 -1.523 1 O-C-N 114.813 -4.929 . . . . 0.0 114.176 165.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . 0.294 22.2 tt0 -69.98 -38.85 76.14 Favored 'General case' 0 CA--C 1.595 2.71 0 C-N-CA 117.102 -1.839 . . . . 0.0 112.666 -166.287 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 19.9 m -63.9 -22.32 66.87 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -82.49 -52.84 6.48 Favored 'General case' 0 N--CA 1.511 2.582 0 C-N-CA 129.132 2.973 . . . . 0.0 110.261 171.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.404 ' HB ' HG13 ' B' ' 42' ' ' VAL . 47.1 t -64.66 -39.11 84.47 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.999 0 N-CA-C 116.726 2.121 . . . . 0.0 116.726 177.466 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 16.4 m -47.13 -4.06 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.75 0 C-N-CA 128.513 2.725 . . . . 0.0 113.459 164.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -120.41 -31.84 4.24 Favored 'General case' 0 C--N 1.411 3.248 0 CA-C-O 122.547 1.165 . . . . 0.0 111.471 173.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -94.33 -40.49 9.93 Favored 'General case' 0 CA--C 1.481 -1.691 0 CA-C-O 116.064 -1.922 . . . . 0.0 109.668 -164.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.439 ' HG ' ' CD2' ' B' ' 80' ' ' TYR . 10.3 tp -56.35 -31.34 63.67 Favored 'General case' 0 C--N 1.397 2.672 0 CA-C-O 113.053 -3.356 . . . . 0.0 110.994 161.553 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . 0.293 88.9 mttt -74.21 -45.22 49.61 Favored 'General case' 0 N--CA 1.417 -2.104 0 CA-C-N 123.45 2.841 . . . . 0.0 113.888 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.454 HD13 ' N ' ' B' ' 63' ' ' LEU . 0.6 OUTLIER -53.0 -50.7 63.65 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 115.653 -2.118 . . . . 0.0 113.257 165.742 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.454 ' N ' HD13 ' B' ' 62' ' ' LEU . 70.3 mt -59.64 -28.91 67.64 Favored 'General case' 0 N--CA 1.504 2.267 0 CA-C-N 122.96 2.618 . . . . 0.0 112.607 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -73.3 -48.61 33.11 Favored 'General case' 0 CA--C 1.56 1.347 0 CA-C-N 111.659 -2.519 . . . . 0.0 104.966 -176.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.4 m -63.8 -32.22 73.66 Favored 'General case' 0 N--CA 1.403 -2.793 0 C-N-CA 127.091 2.156 . . . . 0.0 113.446 177.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.51 HG23 HD12 ' B' ' 68' ' ' LEU . 29.7 m -96.24 8.24 6.87 Favored 'Isoleucine or valine' 1 N--CA 1.553 4.714 0 O-C-N 116.303 -3.998 . . . . 0.0 111.329 172.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 1.5 m170 65.48 16.26 10.43 Favored 'General case' 0 N--CA 1.515 2.809 0 C-N-CA 128.935 2.894 . . . . 0.0 114.742 165.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.51 HD12 HG23 ' B' ' 66' ' ' VAL . 1.9 mp -71.67 -20.34 61.96 Favored 'General case' 0 C--O 1.267 2.013 0 O-C-N 120.225 -1.547 . . . . 0.0 111.282 156.128 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 t -120.51 164.14 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.53 3.541 0 C-N-CA 126.016 1.726 . . . . 0.0 115.482 173.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -147.44 155.87 42.33 Favored 'General case' 0 C--O 1.265 1.891 0 C-N-CA 124.676 1.19 . . . . 0.0 111.657 156.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' ALA . . . . . 0.622 ' HB2' ' CE2' ' B' ' 80' ' ' TYR . . . -88.94 151.04 22.55 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.622 -1.172 . . . . 0.0 112.828 165.075 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 43.1 pttt . . . . . 0 CA--C 1.601 2.909 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 160.766 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 22.9 mtm . . . . . 0 N--CA 1.465 0.312 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.542 ' HA ' ' HB2' ' B' ' 41' ' ' SER . 35.1 mm -92.64 141.96 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 C-N-CA 124.615 1.166 . . . . 0.0 112.502 170.088 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' TYR . . . . . 0.622 ' CE2' ' HB2' ' B' ' 71' ' ' ALA . 59.6 m-85 -116.27 149.31 39.42 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -178.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 9.1 m -148.07 161.64 41.0 Favored 'General case' 0 N--CA 1.436 -1.15 0 O-C-N 126.192 2.183 . . . . 0.0 109.797 -165.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.444 HD22 ' HB2' ' B' ' 88' ' ' ALA . 7.6 mp -62.31 154.64 27.25 Favored 'General case' 0 C--N 1.361 1.099 0 O-C-N 120.292 -1.505 . . . . 0.0 113.212 159.497 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -70.25 -46.35 64.6 Favored 'General case' 0 N--CA 1.515 2.785 0 O-C-N 119.208 -2.182 . . . . 0.0 113.752 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 13.9 p30 -151.23 175.41 12.21 Favored 'General case' 0 CA--C 1.583 2.214 0 CA-C-O 124.763 2.22 . . . . 0.0 112.912 159.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . 0.331 1.6 pp -49.99 -13.46 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.205 1 N-CA-C 122.104 4.113 . . . . 0.0 122.104 169.973 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -66.68 -52.77 41.03 Favored 'General case' 0 N--CA 1.427 -1.583 1 O-C-N 114.336 -5.228 . . . . 0.0 109.977 -177.219 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.403 ' HA ' ' HB3' ' B' ' 90' ' ' MET . 3.5 m -85.84 -15.59 10.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 O-C-N 120.551 -1.343 . . . . 0.0 111.716 -176.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.444 ' HB2' HD22 ' B' ' 82' ' ' LEU . . . -66.55 -31.55 72.34 Favored 'General case' 0 C--O 1.194 -1.821 0 CA-C-O 123.343 1.544 . . . . 0.0 109.774 166.385 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 24.9 m -84.25 -41.45 16.9 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 114.485 -1.234 . . . . 0.0 108.728 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' MET . . . . . 0.417 ' HG2' ' HA ' ' A' ' 90' ' ' MET . 16.9 tmm? -57.43 -46.65 83.32 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 168.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.46 HD22 ' N ' ' B' ' 33' ' ' GLU . 7.1 tt -67.13 -40.32 86.78 Favored 'General case' 0 N--CA 1.514 2.762 0 CA-C-O 117.107 -1.425 . . . . 0.0 109.17 176.215 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -67.36 -36.08 80.67 Favored 'General case' 0 CA--C 1.578 2.035 0 CA-C-N 122.304 2.32 . . . . 0.0 114.084 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.46 ' HA ' ' HB3' ' B' ' 96' ' ' HIS . 35.8 mm-40 -81.94 -14.61 55.84 Favored 'General case' 0 C--O 1.277 2.534 0 C-N-CA 125.38 1.472 . . . . 0.0 113.407 178.135 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.02 -52.93 14.61 Favored 'General case' 0 C--O 1.206 -1.217 0 CA-C-O 117.746 -1.121 . . . . 0.0 108.587 164.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -54.26 -34.39 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 CA-C-O 116.548 -1.691 . . . . 0.0 108.328 171.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 96' ' ' HIS . . . . . 0.46 ' HB3' ' HA ' ' B' ' 93' ' ' GLN 0.291 0.8 OUTLIER -68.62 -35.76 77.73 Favored 'General case' 0 N--CA 1.431 -1.377 0 C-N-CA 126.079 1.752 . . . . 0.0 113.808 -179.303 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -73.12 -9.54 58.83 Favored 'General case' 0 C--O 1.27 2.142 0 CA-C-O 115.306 -2.283 . . . . 0.0 115.343 163.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -100.65 6.13 43.99 Favored 'General case' 0 N--CA 1.427 -1.614 0 CA-C-N 121.914 2.143 . . . . 0.0 116.099 158.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . 0.266 58.6 t30 -134.09 71.97 1.46 Allowed 'General case' 0 CA--C 1.498 -1.022 0 CA-C-N 119.98 1.264 . . . . 0.0 109.068 -172.437 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 46.5 m170 . . . . . 0 C--N 1.309 -1.166 0 C-N-CA 127.449 2.299 . . . . 0.0 114.771 -178.003 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.501 2.094 0 CA-C-O 116.054 -1.927 . . . . 0.0 112.817 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.336 0.8 OUTLIER 63.29 -48.05 0.23 Allowed 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 128.55 2.74 . . . . 0.0 118.077 178.767 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.6 p -144.19 -27.92 0.51 Allowed 'General case' 0 C--N 1.288 -2.1 0 C-N-CA 129.392 3.077 . . . . 0.0 110.82 175.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -41.12 -28.47 0.09 Allowed 'General case' 0 N--CA 1.409 -2.514 2 O-C-N 113.881 -5.512 . . . . 0.0 115.128 -175.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.24 -14.4 59.77 Favored 'General case' 0 C--N 1.271 -2.844 1 CA-C-N 126.628 4.286 . . . . 0.0 113.192 -174.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -104.57 -5.26 21.65 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 112.386 -2.188 . . . . 0.0 112.76 166.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.8 t -83.53 -38.31 14.16 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.376 0 O-C-N 119.343 -2.098 . . . . 0.0 113.062 165.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.1 p -67.4 -22.73 65.53 Favored 'General case' 0 N--CA 1.525 3.283 0 O-C-N 117.891 -3.006 . . . . 0.0 108.376 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -66.82 -14.89 63.18 Favored 'General case' 0 C--O 1.254 1.318 0 C-N-CA 128.829 2.852 . . . . 0.0 111.47 172.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.33 0.6 OUTLIER -110.24 19.1 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.621 0 CA-C-N 124.917 3.508 . . . . 0.0 109.002 175.782 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -119.85 -34.96 3.61 Favored 'General case' 0 C--N 1.365 1.241 0 C-N-CA 127.838 2.455 . . . . 0.0 112.349 170.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -42.48 46.14 0.0 OUTLIER 'General case' 0 CA--C 1.588 2.427 0 C-N-CA 129.239 3.016 . . . . 0.0 112.394 141.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . 0.263 . . -177.11 -34.75 0.01 OUTLIER 'General case' 1 N--CA 1.54 4.029 0 C-N-CA 128.984 2.914 . . . . 0.0 111.988 -173.843 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.1 mt -81.2 -117.47 0.02 OUTLIER 'General case' 0 N--CA 1.422 -1.839 0 C-N-CA 126.803 2.041 . . . . 0.0 114.316 -176.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 42.81 -0.31 0.01 OUTLIER Glycine 0 N--CA 1.513 3.771 1 CA-C-O 112.273 -4.626 . . . . 0.0 122.435 -175.539 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -134.26 170.65 15.39 Favored 'General case' 0 CA--C 1.58 2.111 1 CA-C-N 125.26 4.53 . . . . 0.0 109.674 -169.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -95.26 -83.87 0.35 Allowed 'General case' 0 C--O 1.198 -1.607 0 O-C-N 119.483 -2.01 . . . . 0.0 109.186 -166.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -59.64 -43.25 93.95 Favored 'General case' 0 C--O 1.287 3.036 0 O-C-N 118.708 -2.495 . . . . 0.0 110.443 -166.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -30.34 -47.29 0.08 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 126.564 2.415 . . . . 0.0 113.682 162.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.3 pt -106.57 -6.01 10.2 Favored 'Isoleucine or valine' 0 C--O 1.276 2.478 1 O-C-N 115.655 -4.403 . . . . 0.0 109.874 -178.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.7 ttp85 -60.47 -22.9 64.02 Favored 'General case' 0 C--N 1.371 1.513 0 N-CA-C 115.467 1.655 . . . . 0.0 115.467 156.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.8 mt -64.72 -51.62 64.92 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.713 1 C-N-CA 132.463 4.305 . . . . 0.0 107.044 164.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 79.0 mtp -85.62 -41.28 15.36 Favored 'General case' 0 CA--C 1.575 1.911 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.127 -156.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.5 ' HA ' HD22 ' A' ' 91' ' ' LEU . 3.9 tm-20 -24.56 -58.85 0.05 Allowed 'General case' 0 C--N 1.394 2.539 0 C-N-CA 128.96 2.904 . . . . 0.0 110.463 144.11 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.482 ' HG ' HD11 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -71.32 -40.85 70.53 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 117.87 -3.018 . . . . 0.0 110.052 -173.012 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.439 ' N ' HD13 ' A' ' 34' ' ' LEU 0.252 79.9 mt -73.26 -21.91 60.51 Favored 'General case' 0 C--O 1.188 -2.134 0 O-C-N 120.041 -1.662 . . . . 0.0 113.817 -179.51 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.385 7.5 m -64.64 -4.01 3.75 Favored 'General case' 0 C--N 1.284 -2.244 1 C-N-CA 133.597 4.759 . . . . 0.0 114.211 167.212 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.0 m -128.01 -42.97 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.376 1.745 0 C-N-CA 127.426 2.29 . . . . 0.0 115.509 157.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.1 m -145.5 89.49 1.93 Allowed 'General case' 0 C--N 1.274 -2.691 0 N-CA-C 117.278 2.325 . . . . 0.0 117.278 -166.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -72.49 132.51 43.94 Favored 'General case' 0 N--CA 1.521 3.094 0 N-CA-C 116.814 2.153 . . . . 0.0 116.814 -169.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.8 -174.16 3.7 Favored 'General case' 0 N--CA 1.51 2.555 0 O-C-N 118.926 -2.359 . . . . 0.0 113.601 -169.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 t -109.57 149.7 29.26 Favored 'General case' 0 C--O 1.214 -0.809 1 C-N-CA 132.183 4.193 . . . . 0.0 112.674 166.031 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.6 t -11.58 -53.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 C-N-CA 130.625 3.57 . . . . 0.0 113.47 168.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.38 -28.73 18.92 Favored Glycine 0 N--CA 1.497 2.737 0 CA-C-N 120.286 1.403 . . . . 0.0 113.671 -164.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -81.25 -34.95 31.79 Favored 'General case' 0 C--O 1.2 -1.552 0 O-C-N 117.4 -3.412 . . . . 0.0 105.972 170.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.9 mt -52.41 -60.58 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.529 3.476 0 O-C-N 125.14 1.525 . . . . 0.0 108.659 167.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.9 m -62.49 -13.13 27.07 Favored 'General case' 0 C--O 1.279 2.626 0 N-CA-C 116.658 2.095 . . . . 0.0 116.658 -173.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -92.33 -54.89 3.62 Favored 'General case' 0 N--CA 1.426 -1.672 0 C-N-CA 128.946 2.898 . . . . 0.0 112.08 174.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -74.96 -16.75 60.63 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 115.746 -2.074 . . . . 0.0 112.905 -176.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.482 HD11 ' HG ' ' A' ' 34' ' ' LEU . 5.3 mp -104.92 -7.35 19.38 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 114.8 -2.524 . . . . 0.0 116.621 169.156 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.285 32.6 m120 63.21 50.3 3.05 Favored 'General case' 0 C--N 1.294 -1.846 0 C-N-CA 130.694 3.598 . . . . 0.0 111.907 175.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 48.4 mt -104.38 -122.06 0.21 Allowed 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 103.691 -2.707 . . . . 0.0 103.691 -173.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.2 p -167.61 151.41 6.37 Favored 'General case' 0 C--O 1.263 1.793 0 CA-C-N 122.099 2.227 . . . . 0.0 106.578 -177.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -60.13 -42.85 95.69 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 115.02 -2.419 . . . . 0.0 112.332 -168.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.7 m -69.42 -35.12 75.42 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-N 122.989 2.631 . . . . 0.0 111.775 -171.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -71.43 -43.9 65.87 Favored 'General case' 0 CA--C 1.557 1.215 0 CA-C-O 124.888 2.28 . . . . 0.0 112.707 -166.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . 0.251 60.7 t -72.09 -39.84 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.417 0 O-C-N 117.851 -3.03 . . . . 0.0 109.94 174.25 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.3 m -57.7 1.64 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.23 -2.169 . . . . 0.0 113.974 168.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -121.64 -35.47 3.22 Favored 'General case' 0 N--CA 1.508 2.442 0 O-C-N 119.145 -2.222 . . . . 0.0 112.562 169.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -82.74 -40.69 20.2 Favored 'General case' 0 C--N 1.395 2.576 0 O-C-N 120.278 -1.514 . . . . 0.0 109.779 -176.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.425 HD21 ' CD1' ' A' ' 80' ' ' TYR . 9.4 tp -55.32 -46.86 76.28 Favored 'General case' 0 C--O 1.194 -1.832 0 CA-C-O 116.282 -1.818 . . . . 0.0 111.911 169.351 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -64.07 -43.11 96.44 Favored 'General case' 0 C--N 1.369 1.428 1 C-N-CA 131.778 4.031 . . . . 0.0 109.871 -178.265 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.14 -62.91 1.35 Allowed 'General case' 0 C--O 1.205 -1.244 0 CA-C-O 117.609 -1.186 . . . . 0.0 108.966 165.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.436 ' HA ' HG22 ' A' ' 66' ' ' VAL . 27.6 mt -52.17 -42.79 63.74 Favored 'General case' 0 N--CA 1.502 2.156 0 CA-C-N 123.204 2.729 . . . . 0.0 112.733 -173.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -53.64 -58.5 6.96 Favored 'General case' 0 N--CA 1.501 2.123 1 CA-C-N 106.735 -4.757 . . . . 0.0 105.444 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.3 m -69.64 -7.53 39.74 Favored 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 127.525 2.33 . . . . 0.0 112.665 -174.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' ' 63' ' ' LEU 0.343 16.4 m -108.39 8.55 9.27 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.214 0 CA-C-O 113.772 -3.013 . . . . 0.0 115.96 178.564 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.374 8.9 p80 65.46 18.68 11.38 Favored 'General case' 0 CA--C 1.565 1.534 0 O-C-N 127.686 3.116 . . . . 0.0 118.003 176.065 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 mp -99.44 -16.69 18.27 Favored 'General case' 0 CA--C 1.605 3.067 0 CA-C-N 120.279 1.4 . . . . 0.0 110.367 168.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 t -119.97 160.23 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 128.925 2.89 . . . . 0.0 108.438 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -160.46 127.89 4.42 Favored 'General case' 0 CA--C 1.56 1.343 0 CA-C-O 122.395 1.093 . . . . 0.0 111.837 173.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.46 146.54 48.55 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 126.141 2.877 . . . . 0.0 109.578 170.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -130.95 151.94 50.81 Favored 'General case' 0 C--N 1.382 1.995 0 CA-C-N 111.073 -2.785 . . . . 0.0 106.439 158.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 . . . . . 0 C--O 1.194 -1.849 0 CA-C-O 115.396 -2.24 . . . . 0.0 110.098 170.597 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 19.7 mmt . . . . . 0 N--CA 1.402 -2.859 0 CA-C-O 122.475 1.131 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.7 mm -102.83 126.26 57.08 Favored 'Isoleucine or valine' 0 C--O 1.26 1.611 0 C-N-CA 129.789 3.235 . . . . 0.0 108.852 175.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.425 ' CD1' HD21 ' A' ' 60' ' ' LEU . 73.3 m-85 -108.04 132.41 53.57 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 126.329 1.852 . . . . 0.0 109.251 -173.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.1 m -144.06 173.96 11.28 Favored 'General case' 0 C--N 1.286 -2.157 0 CA-C-N 112.195 -2.275 . . . . 0.0 107.101 -175.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.04 150.46 45.32 Favored 'General case' 0 C--N 1.38 1.904 1 CA-C-O 128.634 4.064 . . . . 0.0 113.442 165.915 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -54.6 -40.35 68.76 Favored 'General case' 0 N--CA 1.412 -2.372 0 O-C-N 118.308 -2.745 . . . . 0.0 117.422 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.6 p30 -165.95 -179.93 5.5 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 129.074 2.95 . . . . 0.0 112.051 172.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.6 tp -65.46 -17.75 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.396 -3.157 0 CA-C-N 111.921 -2.399 . . . . 0.0 113.545 -170.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -71.38 -47.03 58.77 Favored 'General case' 0 CA--C 1.454 -2.741 0 O-C-N 120.987 -1.071 . . . . 0.0 111.607 173.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . 0.347 1.6 p -77.14 -34.12 21.11 Favored 'Isoleucine or valine' 0 C--O 1.26 1.611 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -177.071 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . 0.279 . . -59.31 -38.57 80.61 Favored 'General case' 0 C--O 1.19 -2.065 0 C-N-CA 123.876 0.87 . . . . 0.0 112.389 162.2 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 68.0 m -70.46 -34.75 72.77 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 175.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.2 ttt -61.15 -51.78 67.63 Favored 'General case' 0 C--O 1.263 1.777 0 C-N-CA 125.534 1.534 . . . . 0.0 111.614 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.5 HD22 ' HA ' ' A' ' 33' ' ' GLU . 4.5 tt -75.63 -42.06 52.59 Favored 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 114.268 -1.333 . . . . 0.0 111.774 -178.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . 0.302 17.2 tttp -57.79 -41.53 82.3 Favored 'General case' 0 N--CA 1.508 2.442 0 C-N-CA 124.241 1.017 . . . . 0.0 110.187 175.131 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -77.24 -16.68 58.93 Favored 'General case' 0 N--CA 1.504 2.264 0 CA-C-N 121.272 1.851 . . . . 0.0 114.333 175.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -78.58 -41.92 30.55 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 118.913 -1.115 . . . . 0.0 109.679 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.448 ' HA ' HD12 ' A' ' 95' ' ' ILE . 0.3 OUTLIER -57.05 -9.56 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.516 2.843 0 O-C-N 126.953 2.658 . . . . 0.0 110.958 170.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -113.13 7.33 17.91 Favored 'General case' 0 N--CA 1.422 -1.832 0 C-N-CA 129.984 3.314 . . . . 0.0 118.131 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -115.23 -8.63 12.33 Favored 'General case' 0 C--O 1.188 -2.137 0 CA-C-O 116.212 -1.852 . . . . 0.0 113.898 158.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . 0.439 . . -55.84 -37.64 68.99 Favored 'General case' 0 C--O 1.262 1.738 0 O-C-N 127.601 3.063 . . . . 0.0 118.02 169.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.691 HD21 HG22 ' B' ' 12' ' ' THR . 5.9 p30 -135.23 166.15 23.76 Favored 'General case' 0 C--N 1.292 -1.92 0 C-N-CA 129.687 3.195 . . . . 0.0 109.803 170.22 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -147.69 62.28 6.82 Favored Pre-proline 0 CA--C 1.574 1.884 0 O-C-N 125.853 1.971 . . . . 0.0 108.86 174.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo . . . . . 0 CA--C 1.563 1.972 1 C-N-CA 125.51 4.14 . . . . 0.0 112.377 -165.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 56.7 p . . . . . 0 C--O 1.265 1.898 0 CA-C-O 117.442 -1.266 . . . . 0.0 114.214 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 51.24 -5.71 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.121 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 -162.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.691 HG22 HD21 ' A' ' 99' ' ' ASN . 28.5 p -134.53 -78.13 0.46 Allowed 'General case' 0 CA--C 1.591 2.551 1 O-C-N 115.18 -4.7 . . . . 0.0 109.758 -160.03 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.68 -44.88 18.98 Favored 'General case' 0 CA--C 1.469 -2.168 1 CA-C-O 111.17 -4.252 . . . . 0.0 113.294 169.861 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -82.2 4.03 25.02 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 123.566 2.894 . . . . 0.0 109.323 -171.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -123.59 -8.41 7.97 Favored 'General case' 0 C--O 1.267 1.995 0 C-N-CA 130.179 3.391 . . . . 0.0 114.168 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.581 HG12 HD12 ' B' ' 19' ' ' ILE 0.443 6.2 m -100.65 -16.23 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.341 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 164.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . 0.319 0.9 OUTLIER -56.38 -43.63 79.41 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 118.249 -1.381 . . . . 0.0 107.7 168.529 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -45.54 -39.0 6.94 Favored 'General case' 0 N--CA 1.534 3.759 0 CA-C-N 112.982 -1.917 . . . . 0.0 112.649 168.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.581 HD12 HG12 ' B' ' 16' ' ' VAL . 22.1 mt -88.83 -55.93 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.147 0 CA-C-O 124.943 2.306 . . . . 0.0 115.177 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -66.04 -6.46 13.02 Favored 'General case' 0 C--O 1.202 -1.427 0 C-N-CA 127.59 2.356 . . . . 0.0 115.434 -169.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -99.37 -23.18 15.24 Favored 'General case' 0 N--CA 1.517 2.92 0 N-CA-C 116.527 2.047 . . . . 0.0 116.527 160.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.75 -11.51 47.91 Favored 'General case' 0 C--O 1.249 1.042 0 CA-C-N 120.007 1.276 . . . . 0.0 112.102 -171.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 62.3 mt -63.76 -20.99 66.19 Favored 'General case' 0 CA--C 1.594 2.646 0 C-N-CA 128.904 2.882 . . . . 0.0 113.937 168.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.9 37.36 0.09 OUTLIER Glycine 0 C--O 1.169 -3.922 0 N-CA-C 121.384 3.313 . . . . 0.0 121.384 -172.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -149.47 122.07 8.58 Favored 'General case' 0 C--O 1.251 1.158 0 CA-C-O 117.663 -1.16 . . . . 0.0 107.985 171.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . 0.274 1.1 p90 -52.37 -38.8 59.72 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 124.563 1.164 . . . . 0.0 113.079 -170.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -55.32 -47.9 74.94 Favored 'General case' 0 C--O 1.275 2.418 0 CA-C-N 112.251 -2.249 . . . . 0.0 114.442 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -53.11 -41.43 64.99 Favored 'General case' 0 C--O 1.186 -2.267 0 C-N-CA 129.742 3.217 . . . . 0.0 111.045 175.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 43.0 mm -83.57 -41.54 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.561 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 -168.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -56.42 -30.71 63.13 Favored 'General case' 0 C--N 1.357 0.92 0 N-CA-C 116.118 1.896 . . . . 0.0 116.118 165.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.472 HG12 HD13 ' B' ' 49' ' ' LEU . 32.7 mt -71.08 -48.4 55.6 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.798 0 O-C-N 124.398 1.061 . . . . 0.0 109.287 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' MET . . . . . 0.41 ' HB2' ' CD1' ' B' ' 91' ' ' LEU . 60.2 mtm -90.95 -36.93 13.82 Favored 'General case' 0 CA--C 1.559 1.295 0 O-C-N 119.314 -2.116 . . . . 0.0 116.173 -174.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -35.16 -41.67 0.16 Allowed 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 112.576 -3.583 . . . . 0.0 110.919 141.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.549 HD13 ' N ' ' B' ' 35' ' ' LEU 0.384 0.4 OUTLIER -75.03 -52.35 11.29 Favored 'General case' 0 CA--C 1.629 3.987 0 CA-C-O 127.943 3.735 . . . . 0.0 117.641 177.074 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.549 ' N ' HD13 ' B' ' 34' ' ' LEU . 58.5 mt -65.31 -27.59 68.72 Favored 'General case' 0 CA--C 1.556 1.184 0 O-C-N 118.675 -2.515 . . . . 0.0 109.801 -169.195 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' SER . . . . . 0.451 ' OG ' ' HE2' ' B' ' 92' ' ' LYS . 57.2 p -62.75 -0.73 0.69 Allowed 'General case' 0 N--CA 1.51 2.559 0 CA-C-N 111.529 -2.578 . . . . 0.0 117.728 170.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 m -134.97 -33.33 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 CA-C-N 112.836 -1.983 . . . . 0.0 111.46 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 10.6 t -157.18 120.49 4.1 Favored 'General case' 0 CA--C 1.575 1.909 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 167.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . 0.267 56.4 mt-10 -68.03 146.16 53.78 Favored 'General case' 0 N--CA 1.505 2.321 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -169.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -156.76 135.47 11.63 Favored 'General case' 0 CA--C 1.573 1.859 0 O-C-N 124.766 1.291 . . . . 0.0 111.56 -175.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.421 ' HB2' ' HA ' ' B' ' 79' ' ' ILE . 35.1 t -94.51 156.3 16.52 Favored 'General case' 0 CA--C 1.567 1.623 0 C-N-CA 128.013 2.525 . . . . 0.0 110.964 175.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.431 HG22 HG12 ' B' ' 56' ' ' VAL 0.326 37.1 t -9.82 -72.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.397 2.667 0 N-CA-C 118.446 2.758 . . . . 0.0 118.446 178.173 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.98 -30.99 76.78 Favored Glycine 0 N--CA 1.478 1.475 0 O-C-N 125.984 2.052 . . . . 0.0 114.596 -170.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -81.22 -43.17 19.65 Favored 'General case' 0 CA--C 1.569 1.687 0 C-N-CA 125.977 1.711 . . . . 0.0 110.794 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.418 HD13 HG21 ' B' ' 45' ' ' ILE . 96.2 mt -50.53 -51.38 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.026 0 CA-C-O 114.327 -2.749 . . . . 0.0 111.075 161.168 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 16.1 m -51.78 -38.33 55.09 Favored 'General case' 0 CA--C 1.581 2.148 0 C-N-CA 127.959 2.504 . . . . 0.0 109.56 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -70.82 -49.95 40.81 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 114.73 -2.557 . . . . 0.0 111.53 174.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -80.39 -20.48 43.9 Favored 'General case' 0 C--O 1.167 -3.247 0 O-C-N 128.085 3.365 . . . . 0.0 117.909 -169.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.472 HD13 HG12 ' B' ' 31' ' ' ILE . 4.1 mt -111.27 -0.12 16.53 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 112.898 -1.955 . . . . 0.0 113.952 -178.164 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 15.6 m120 54.14 43.06 31.22 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 130.38 3.472 . . . . 0.0 113.079 -175.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 mt -106.4 158.47 16.87 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 118.029 -2.919 . . . . 0.0 108.461 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 1.9 p -79.27 148.8 32.03 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 120.244 3.424 . . . . 0.0 120.244 171.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -55.75 -31.86 62.92 Favored 'General case' 0 C--N 1.375 1.677 0 CA-C-O 124.126 1.917 . . . . 0.0 110.356 -177.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 53.3 m -74.07 -46.44 43.07 Favored 'General case' 0 C--O 1.269 2.114 0 O-C-N 117.596 -3.19 . . . . 0.0 110.682 -174.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -69.48 -36.69 76.79 Favored 'General case' 0 N--CA 1.521 3.078 0 O-C-N 126.826 2.579 . . . . 0.0 111.771 175.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.431 HG12 HG22 ' B' ' 42' ' ' VAL . 65.9 t -75.27 -46.41 38.64 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.96 0 O-C-N 117.434 -3.291 . . . . 0.0 109.791 177.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.6 m -43.55 -15.41 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 118.429 2.751 . . . . 0.0 118.429 163.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -100.6 -44.39 5.86 Favored 'General case' 0 CA--C 1.508 -0.659 0 C-N-CA 129.329 3.052 . . . . 0.0 113.313 167.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -86.43 -35.91 19.41 Favored 'General case' 0 N--CA 1.409 -2.496 0 CA-C-N 121.655 2.025 . . . . 0.0 115.736 -164.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' B' ' 60' ' ' LEU . 12.5 tp -56.64 -45.04 81.82 Favored 'General case' 0 CA--C 1.595 2.695 0 C-N-CA 126.482 1.913 . . . . 0.0 107.907 167.647 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . 0.275 32.4 mttt -70.05 -40.93 74.8 Favored 'General case' 0 N--CA 1.512 2.633 0 C-N-CA 128.395 2.678 . . . . 0.0 109.963 -175.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -50.51 -55.11 17.51 Favored 'General case' 0 C--O 1.284 2.896 0 CA-C-O 123.477 1.608 . . . . 0.0 112.856 163.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.83 -34.85 77.53 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 117.359 -3.338 . . . . 0.0 114.256 -165.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -47.51 -51.54 20.28 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 126.194 2.902 . . . . 0.0 108.476 170.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 13.0 m -75.61 -2.09 27.62 Favored 'General case' 0 C--O 1.254 1.32 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 -178.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . 0.376 27.4 m -112.21 15.92 8.17 Favored 'Isoleucine or valine' 0 C--O 1.272 2.255 0 O-C-N 120.267 -1.521 . . . . 0.0 114.136 162.19 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 7.2 m80 46.96 22.17 0.19 Allowed 'General case' 0 CA--C 1.571 1.774 0 C-N-CA 127.204 2.202 . . . . 0.0 114.913 -178.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 mp -69.69 -22.22 63.44 Favored 'General case' 0 N--CA 1.508 2.445 0 O-C-N 116.419 -3.925 . . . . 0.0 106.794 161.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.0 t -133.25 153.75 37.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 C-N-CA 130.999 3.72 . . . . 0.0 114.377 -167.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -149.54 146.13 27.2 Favored 'General case' 0 N--CA 1.422 -1.849 1 CA-C-O 128.857 4.17 . . . . 0.0 107.783 170.178 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' ALA . . . . . 0.551 ' HB2' ' CE2' ' B' ' 80' ' ' TYR . . . -91.78 144.21 25.74 Favored 'General case' 0 C--O 1.269 2.116 0 CA-C-N 108.771 -3.831 . . . . 0.0 112.952 164.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 45.6 pttt . . . . . 0 N--CA 1.51 2.54 0 C-N-CA 129.541 3.136 . . . . 0.0 108.113 170.39 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 45.0 mtm . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 116.667 -1.635 . . . . 0.0 109.921 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.421 ' HA ' ' HB2' ' B' ' 41' ' ' SER . 27.2 mm -85.98 140.34 16.04 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.87 0 O-C-N 127.575 3.047 . . . . 0.0 106.052 166.491 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' TYR . . . . . 0.551 ' CE2' ' HB2' ' B' ' 71' ' ' ALA . 37.6 m-85 -119.6 143.02 47.88 Favored 'General case' 0 N--CA 1.416 -2.132 0 CA-C-O 122.201 1.0 . . . . 0.0 112.959 -173.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 74.5 m -132.14 166.12 22.52 Favored 'General case' 0 C--O 1.284 2.902 1 C-N-CA 133.004 4.521 . . . . 0.0 109.108 -170.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.08 149.24 37.73 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 119.643 3.201 . . . . 0.0 119.643 143.093 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -72.18 -55.84 6.57 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-N 121.604 2.002 . . . . 0.0 110.565 -168.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -140.95 -170.48 3.05 Favored 'General case' 0 CA--C 1.493 -1.22 0 CA-C-O 123.631 1.681 . . . . 0.0 112.87 156.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -17.48 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.349 0 N-CA-C 117.35 2.352 . . . . 0.0 117.35 -176.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -64.84 -55.22 20.82 Favored 'General case' 0 N--CA 1.517 2.916 0 C-N-CA 129.089 2.955 . . . . 0.0 108.129 -177.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 m -88.12 -19.82 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -167.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.27 -24.8 66.63 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 118.108 2.632 . . . . 0.0 118.108 159.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 44.7 m -82.95 -52.23 6.87 Favored 'General case' 0 N--CA 1.502 2.165 0 N-CA-C 100.625 -3.843 . . . . 0.0 100.625 177.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 12.9 tmm? -52.81 -55.23 24.47 Favored 'General case' 0 C--O 1.17 -3.094 0 CA-C-N 119.882 1.219 . . . . 0.0 113.365 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.41 ' CD1' ' HB2' ' B' ' 32' ' ' MET . 6.3 tt -57.95 -44.24 86.85 Favored 'General case' 0 C--O 1.192 -1.942 0 CA-C-O 114.535 -2.65 . . . . 0.0 115.83 175.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.451 ' HE2' ' OG ' ' B' ' 36' ' ' SER . 72.3 mttt -67.99 -33.91 75.52 Favored 'General case' 0 C--N 1.373 1.595 0 CA-C-N 122.164 2.256 . . . . 0.0 108.69 -178.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -71.67 -15.6 62.23 Favored 'General case' 1 N--CA 1.547 4.42 0 C-N-CA 129.038 2.935 . . . . 0.0 110.282 174.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.06 -33.89 19.36 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-O 122.46 1.124 . . . . 0.0 114.028 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 3.6 mm -59.26 -48.63 86.3 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 C-N-CA 126.108 1.763 . . . . 0.0 114.256 157.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -75.53 -25.61 57.35 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 119.519 -1.988 . . . . 0.0 114.729 -172.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -67.03 -7.76 25.14 Favored 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 162.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -102.55 -27.63 12.65 Favored 'General case' 0 CA--C 1.588 2.429 0 O-C-N 116.908 -3.62 . . . . 0.0 111.861 173.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -111.91 86.97 2.45 Favored 'General case' 0 N--CA 1.506 2.328 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 166.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 34.4 m170 . . . . . 0 CA--C 1.549 0.917 0 O-C-N 124.573 1.17 . . . . 0.0 113.75 162.224 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.513 2.697 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.25 9.2 m-20 61.25 -55.27 0.1 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.197 2.199 . . . . 0.0 110.677 176.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.8 p -132.79 -22.99 2.06 Favored 'General case' 0 C--N 1.288 -2.09 0 C-N-CA 128.468 2.707 . . . . 0.0 112.785 -171.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.07 -28.26 63.21 Favored 'General case' 0 N--CA 1.51 2.569 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -164.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -67.51 -21.01 65.51 Favored 'General case' 0 C--N 1.374 1.662 0 O-C-N 116.615 -3.803 . . . . 0.0 112.617 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.276 15.2 ttm180 -100.63 -1.83 34.3 Favored 'General case' 0 N--CA 1.512 2.646 0 N-CA-C 120.331 3.456 . . . . 0.0 120.331 166.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.476 HG12 ' CZ ' ' A' ' 20' ' ' PHE . 2.4 t -82.88 -42.03 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.324 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 156.402 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.1 p -63.35 -25.2 68.18 Favored 'General case' 0 C--N 1.381 1.976 1 O-C-N 115.663 -4.398 . . . . 0.0 118.3 171.32 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -56.38 -29.67 61.73 Favored 'General case' 0 CA--C 1.582 2.189 0 C-N-CA 127.486 2.314 . . . . 0.0 112.608 165.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.9 pp -104.38 5.64 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.535 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.386 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.476 ' CZ ' HG12 ' A' ' 16' ' ' VAL . 11.7 m-85 -92.54 -33.99 14.24 Favored 'General case' 0 C--N 1.363 1.193 0 N-CA-C 119.967 3.321 . . . . 0.0 119.967 151.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -64.28 52.25 0.02 OUTLIER 'General case' 0 C--O 1.286 2.983 0 C-N-CA 128.259 2.624 . . . . 0.0 111.399 153.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.452 ' H ' ' C ' ' A' ' 20' ' ' PHE . . . -167.87 -30.7 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 CA-C-N 110.084 -3.234 . . . . 0.0 108.715 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.3 mt -82.23 -129.14 0.02 OUTLIER 'General case' 0 CA--C 1.59 2.484 0 C-N-CA 126.271 1.828 . . . . 0.0 111.229 176.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 57.99 13.69 14.81 Favored Glycine 0 CA--C 1.561 2.949 0 C-N-CA 128.301 2.858 . . . . 0.0 120.165 177.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -142.55 165.81 26.38 Favored 'General case' 0 C--O 1.268 2.056 0 O-C-N 119.722 -2.046 . . . . 0.0 111.066 175.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -80.21 -83.25 0.1 Allowed 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 118.355 2.724 . . . . 0.0 118.355 -176.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -55.68 -45.41 77.77 Favored 'General case' 0 C--O 1.263 1.791 0 O-C-N 118.727 -2.483 . . . . 0.0 106.285 -172.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -39.66 -23.78 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.761 0 C-N-CA 128.366 2.666 . . . . 0.0 113.718 170.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.51 HD11 HG23 ' B' ' 16' ' ' VAL 0.42 0.7 OUTLIER -114.0 -11.71 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.24 0 CA-C-O 113.265 -3.255 . . . . 0.0 119.174 170.456 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.2 ttp85 -67.7 -23.14 65.25 Favored 'General case' 0 CA--C 1.481 -1.675 0 C-N-CA 127.998 2.519 . . . . 0.0 111.153 157.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.0 mt -62.14 -57.15 13.38 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.831 0 CA-C-N 119.688 1.131 . . . . 0.0 111.344 164.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.425 ' CB ' HD13 ' A' ' 91' ' ' LEU . 61.2 mtp -81.18 -39.72 25.02 Favored 'General case' 0 C--O 1.185 -2.32 1 CA-C-O 111.236 -4.221 . . . . 0.0 109.638 -156.128 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.443 ' HG3' HD23 ' B' ' 13' ' ' LEU . 0.0 OUTLIER -10.54 -59.98 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.908 0 N-CA-C 120.75 3.611 . . . . 0.0 120.75 135.282 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.438 ' C ' HD13 ' A' ' 34' ' ' LEU 0.257 1.2 tm? -78.73 -55.25 5.32 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 117.824 -3.047 . . . . 0.0 109.245 -170.858 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.3 mt -45.44 -27.99 0.81 Allowed 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 127.582 2.353 . . . . 0.0 115.758 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.3 m -83.08 -10.9 58.46 Favored 'General case' 0 CA--C 1.587 2.367 0 C-N-CA 128.022 2.529 . . . . 0.0 111.223 -175.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.7 m -128.55 -29.82 0.87 Allowed 'Isoleucine or valine' 0 C--O 1.186 -2.253 0 C-N-CA 127.204 2.202 . . . . 0.0 113.073 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.9 m -154.66 101.87 2.35 Favored 'General case' 0 CA--C 1.594 2.659 0 O-C-N 119.511 -1.993 . . . . 0.0 114.561 159.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -32.6 124.69 0.33 Allowed 'General case' 0 N--CA 1.533 3.7 0 C-N-CA 129.819 3.247 . . . . 0.0 111.059 172.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -135.69 144.71 46.12 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 112.192 -2.276 . . . . 0.0 113.455 173.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.6 t -102.32 161.38 13.75 Favored 'General case' 0 N--CA 1.516 2.85 0 O-C-N 118.372 -2.705 . . . . 0.0 107.985 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.418 HG23 HD23 ' A' ' 60' ' ' LEU . 55.5 t -20.88 -66.85 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.521 3.075 0 CA-C-O 113.855 -2.974 . . . . 0.0 113.923 174.241 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.63 -42.33 95.53 Favored Glycine 0 C--O 1.272 2.488 1 O-C-N 129.679 4.362 . . . . 0.0 111.415 -169.347 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -74.76 -27.31 60.29 Favored 'General case' 0 C--N 1.386 2.188 0 CA-C-O 116.31 -1.805 . . . . 0.0 111.62 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.51 HG23 HD13 ' A' ' 49' ' ' LEU . 69.0 mt -63.0 -56.42 17.57 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.389 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 174.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 m -43.04 -42.4 3.87 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.293 -1.504 . . . . 0.0 113.847 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -67.03 -68.55 0.37 Allowed 'General case' 0 C--O 1.268 2.043 0 O-C-N 124.674 1.234 . . . . 0.0 113.142 167.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -67.02 -22.7 65.88 Favored 'General case' 0 N--CA 1.516 2.862 0 O-C-N 118.901 -2.374 . . . . 0.0 109.635 -163.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.51 HD13 HG23 ' A' ' 45' ' ' ILE . 5.2 mp -109.08 5.15 23.81 Favored 'General case' 0 N--CA 1.393 -3.314 0 CA-C-N 121.9 2.136 . . . . 0.0 111.564 178.455 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.264 5.6 m120 44.6 55.25 5.95 Favored 'General case' 0 CA--C 1.61 3.255 0 O-C-N 125.299 1.624 . . . . 0.0 112.627 -168.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.318 58.4 mt -99.08 -137.04 0.3 Allowed 'General case' 0 CA--C 1.576 1.972 0 O-C-N 126.259 2.225 . . . . 0.0 113.206 168.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.7 p -169.65 155.51 6.02 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 118.637 -2.54 . . . . 0.0 114.43 -175.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -62.86 -55.82 22.79 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 116.435 2.013 . . . . 0.0 116.435 -169.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.7 m -69.88 -26.59 64.26 Favored 'General case' 0 N--CA 1.524 3.236 0 CA-C-N 120.716 1.598 . . . . 0.0 114.217 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -63.8 -58.56 6.45 Favored 'General case' 0 N--CA 1.421 -1.897 0 C-N-CA 126.715 2.006 . . . . 0.0 107.979 169.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.1 t -71.66 -34.72 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.397 0 O-C-N 119.591 -1.943 . . . . 0.0 114.715 -169.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.79 8.31 0.06 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 164.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -117.82 -34.52 4.17 Favored 'General case' 0 N--CA 1.426 -1.632 0 CA-C-O 112.346 -3.692 . . . . 0.0 116.119 165.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -99.67 -29.98 12.36 Favored 'General case' 0 CA--C 1.485 -1.553 0 O-C-N 126.221 2.201 . . . . 0.0 115.19 -173.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.451 HD21 ' CG ' ' A' ' 80' ' ' TYR . 13.8 tp -64.85 -31.41 72.63 Favored 'General case' 0 N--CA 1.503 2.218 0 CA-C-N 112.753 -2.021 . . . . 0.0 110.885 159.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -68.15 -47.15 68.83 Favored 'General case' 0 N--CA 1.498 1.97 0 C-N-CA 127.087 2.155 . . . . 0.0 112.648 170.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.495 ' O ' HG22 ' A' ' 66' ' ' VAL . 1.3 tm? -50.82 -61.79 2.0 Allowed 'General case' 0 CA--C 1.555 1.154 0 O-C-N 119.266 -2.146 . . . . 0.0 113.243 169.047 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.492 ' N ' HD13 ' A' ' 62' ' ' LEU . 89.7 mt -58.69 -36.37 74.11 Favored 'General case' 0 N--CA 1.506 2.368 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -173.3 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -57.91 -41.94 83.72 Favored 'General case' 0 CA--C 1.56 1.355 0 CA-C-O 124.485 2.088 . . . . 0.0 114.663 174.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.6 m -82.22 -14.04 56.15 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 126.124 1.77 . . . . 0.0 109.833 -176.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 62' ' ' LEU 0.266 27.8 m -114.77 27.69 3.1 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.23 0 CA-C-N 123.958 3.072 . . . . 0.0 115.96 176.692 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.261 16.4 p80 53.84 19.46 1.93 Allowed 'General case' 0 C--N 1.383 2.042 0 C-N-CA 129.687 3.195 . . . . 0.0 118.191 167.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.7 mp -77.01 -52.61 9.05 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 125.024 2.345 . . . . 0.0 108.269 165.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.3 t -97.94 163.86 2.46 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.556 0 CA-C-N 112.756 -2.02 . . . . 0.0 109.137 -172.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.535 ' HE2' ' HA ' ' A' ' 83' ' ' ASP . 28.3 ttpt -151.5 124.2 8.49 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 119.805 -1.809 . . . . 0.0 114.526 176.105 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.8 153.99 19.84 Favored 'General case' 0 N--CA 1.504 2.251 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 49.5 tttm -153.89 154.64 34.25 Favored 'General case' 0 C--N 1.383 2.028 0 C-N-CA 125.389 1.476 . . . . 0.0 111.907 162.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 . . . . . 0 N--CA 1.498 1.959 0 O-C-N 117.765 -3.084 . . . . 0.0 108.791 -178.258 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 74.2 mmm . . . . . 0 CA--C 1.514 -0.418 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 36.9 mm -96.71 133.16 39.17 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.229 0 O-C-N 125.539 1.774 . . . . 0.0 107.921 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.451 ' CG ' HD21 ' A' ' 60' ' ' LEU . 34.2 m-85 -121.19 135.42 55.15 Favored 'General case' 0 C--N 1.288 -2.077 0 C-N-CA 127.1 2.16 . . . . 0.0 105.878 -168.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.5 m -147.56 -174.06 4.44 Favored 'General case' 0 N--CA 1.504 2.235 0 C-N-CA 126.262 1.825 . . . . 0.0 107.462 -167.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -82.01 157.5 24.17 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 113.592 -3.099 . . . . 0.0 116.674 165.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.535 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 21.3 t70 -74.59 -28.27 60.84 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 124.243 3.201 . . . . 0.0 115.61 -174.116 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -173.28 176.89 2.79 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 127.127 2.171 . . . . 0.0 114.408 169.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.0 tp -50.14 -29.93 6.22 Favored 'Isoleucine or valine' 0 C--N 1.368 1.385 0 N-CA-C 117.509 2.411 . . . . 0.0 117.509 173.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -58.69 -58.54 8.13 Favored 'General case' 0 N--CA 1.407 -2.599 0 O-C-N 117.231 -3.418 . . . . 0.0 113.326 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.27 -36.66 50.04 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.206 0 C-N-CA 127.441 2.297 . . . . 0.0 109.539 -177.078 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.458 ' O ' ' HB2' ' A' ' 92' ' ' LYS . . . -57.23 -35.42 69.67 Favored 'General case' 0 C--O 1.267 2.012 0 O-C-N 124.463 1.102 . . . . 0.0 111.375 169.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 38.7 m -91.79 -31.77 15.62 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 117.264 -3.397 . . . . 0.0 110.692 -174.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.5 ttt -44.83 -64.38 0.72 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 119.272 -2.142 . . . . 0.0 114.873 159.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.425 HD13 ' CB ' ' A' ' 32' ' ' MET . 7.3 tt -67.77 -44.02 78.42 Favored 'General case' 0 C--O 1.271 2.188 0 CA-C-N 121.81 2.095 . . . . 0.0 110.382 -176.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 88' ' ' ALA 0.265 18.0 tttp -45.78 -57.81 3.99 Favored 'General case' 0 C--N 1.373 1.596 0 C-N-CA 126.252 1.821 . . . . 0.0 112.936 171.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -62.97 -31.88 73.09 Favored 'General case' 0 C--O 1.253 1.241 0 C-N-CA 129.462 3.105 . . . . 0.0 116.298 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.94 -48.43 71.41 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 168.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -49.37 -18.1 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.4 2.775 0 CA-C-O 124.77 2.224 . . . . 0.0 111.048 168.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . 0.397 29.9 m-70 -95.45 -15.54 22.89 Favored 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 117.176 2.287 . . . . 0.0 117.176 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -98.6 -19.85 17.34 Favored 'General case' 0 C--N 1.383 2.053 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 166.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -51.54 -38.65 55.24 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 119.61 3.189 . . . . 0.0 119.61 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -140.77 163.02 34.04 Favored 'General case' 0 CA--C 1.594 2.642 0 C-N-CA 128.416 2.686 . . . . 0.0 112.107 154.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -133.61 88.85 32.69 Favored Pre-proline 0 CA--C 1.586 2.335 0 N-CA-C 104.814 -2.291 . . . . 0.0 104.814 -178.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo . . . . . 0 CA--C 1.58 2.81 0 C-N-CA 121.743 1.629 . . . . 0.0 111.381 -159.416 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.404 ' C ' ' H ' ' B' ' 12' ' ' THR . 66.2 p . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 116.843 -1.551 . . . . 0.0 113.978 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . 0.334 11.6 m-20 63.79 -29.24 0.09 Allowed 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 129.283 3.033 . . . . 0.0 115.13 -174.121 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.404 ' H ' ' C ' ' B' ' 10' ' ' THR . 41.8 p -132.4 -42.94 0.94 Allowed 'General case' 0 C--O 1.244 0.782 0 CA-C-O 113.539 -3.124 . . . . 0.0 113.261 -164.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.496 HD11 HG13 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -50.98 -51.2 55.13 Favored 'General case' 0 N--CA 1.508 2.428 0 CA-C-N 122.72 2.509 . . . . 0.0 117.223 162.362 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -60.01 7.82 0.02 OUTLIER 'General case' 0 CA--C 1.584 2.257 0 N-CA-C 116.067 1.877 . . . . 0.0 116.067 173.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -139.23 -25.06 0.86 Allowed 'General case' 0 N--CA 1.419 -1.982 1 C-N-CA 131.814 4.046 . . . . 0.0 117.625 177.259 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.51 HG23 HD11 ' A' ' 29' ' ' ILE . 35.3 m -81.22 -28.13 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 CA-C-N 122.393 2.361 . . . . 0.0 112.875 169.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 5.7 p -38.44 -52.68 1.57 Allowed 'General case' 0 CA--C 1.497 -1.08 0 CA-C-N 122.773 2.533 . . . . 0.0 107.719 168.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -57.98 -33.03 68.45 Favored 'General case' 0 N--CA 1.427 -1.581 0 O-C-N 126.896 2.623 . . . . 0.0 114.56 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.415 HD12 HG12 ' B' ' 16' ' ' VAL . 5.8 mt -79.15 -46.52 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 CA-C-O 118.025 -0.988 . . . . 0.0 111.523 171.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -81.14 -4.18 54.52 Favored 'General case' 0 C--O 1.273 2.315 1 C-N-CA 133.983 4.913 . . . . 0.0 112.697 -168.112 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . 0.275 24.8 pttt -100.32 -20.22 15.96 Favored 'General case' 0 CA--C 1.579 2.082 0 CA-C-O 112.183 -3.77 . . . . 0.0 111.027 158.284 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.92 -10.9 23.8 Favored 'General case' 0 N--CA 1.506 2.361 0 CA-C-N 121.875 2.125 . . . . 0.0 110.851 -176.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.09 -13.15 32.78 Favored 'General case' 0 N--CA 1.501 2.121 0 CA-C-N 123.51 2.868 . . . . 0.0 112.748 172.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.71 49.13 2.73 Favored Glycine 1 CA--C 1.58 4.153 0 CA-C-O 117.117 -1.935 . . . . 0.0 116.383 -159.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -155.89 118.74 4.22 Favored 'General case' 0 C--O 1.265 1.896 0 N-CA-C 103.668 -2.715 . . . . 0.0 103.668 173.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -56.8 -35.31 68.58 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.051 0.941 . . . . 0.0 110.434 -175.303 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -59.79 -60.57 3.63 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 128.606 2.762 . . . . 0.0 110.194 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . 0.284 68.2 mtt180 -42.55 -46.99 5.07 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 129.595 3.158 . . . . 0.0 108.824 174.405 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.8 mm -80.8 -44.0 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 CA-C-O 115.319 -2.277 . . . . 0.0 108.762 -169.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 -50.47 -39.71 48.77 Favored 'General case' 0 N--CA 1.427 -1.586 0 O-C-N 125.393 1.683 . . . . 0.0 111.24 174.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 16.1 mt -60.04 -40.99 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.494 0 CA-C-N 114.324 -1.307 . . . . 0.0 114.013 169.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' MET . . . . . 0.567 ' SD ' HD22 ' B' ' 63' ' ' LEU . 43.9 mtm -86.69 -47.58 9.02 Favored 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -175.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -19.65 -54.87 0.01 OUTLIER 'General case' 0 N--CA 1.529 3.49 0 O-C-N 119.759 -1.838 . . . . 0.0 112.763 141.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -68.69 -59.6 3.0 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 175.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 83.3 mt -53.74 -26.93 25.63 Favored 'General case' 0 C--N 1.364 1.224 0 N-CA-C 121.172 3.768 . . . . 0.0 121.172 -177.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 81.4 p -72.94 -3.33 25.21 Favored 'General case' 0 CA--C 1.564 1.516 1 O-C-N 130.365 4.79 . . . . 0.0 118.056 170.082 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 3.6 m -123.99 -20.87 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.539 0 CA-C-O 117.192 -1.385 . . . . 0.0 112.352 162.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 27.5 t -160.07 104.24 1.5 Allowed 'General case' 0 C--N 1.374 1.637 0 CA-C-N 121.242 1.837 . . . . 0.0 114.177 176.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -51.35 143.17 12.01 Favored 'General case' 0 CA--C 1.597 2.759 0 O-C-N 125.512 1.757 . . . . 0.0 112.545 -174.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.13 158.3 43.87 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 116.04 1.867 . . . . 0.0 116.04 165.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 8.5 t -98.07 151.79 19.98 Favored 'General case' 0 CA--C 1.462 -2.423 0 O-C-N 119.795 -1.815 . . . . 0.0 111.504 162.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . 0.29 2.6 t 10.2 -70.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.261 1.69 0 C-N-CA 129.861 3.264 . . . . 0.0 119.777 150.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.53 -13.77 83.17 Favored Glycine 0 N--CA 1.488 2.151 0 C-N-CA 116.776 -2.631 . . . . 0.0 117.83 -172.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -95.81 -33.03 12.4 Favored 'General case' 0 CA--C 1.568 1.662 0 CA-C-O 117.148 -1.406 . . . . 0.0 111.252 170.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 87.1 mt -50.79 -44.95 27.23 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.078 0 C-N-CA 128.104 2.561 . . . . 0.0 110.626 163.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 39.0 m -60.61 -16.77 41.7 Favored 'General case' 0 CA--C 1.582 2.174 0 CA-C-N 112.911 -1.95 . . . . 0.0 113.534 176.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -101.21 -56.3 2.34 Favored 'General case' 0 CA--C 1.591 2.535 0 CA-C-O 115.759 -2.067 . . . . 0.0 109.054 171.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -53.54 -38.37 63.74 Favored 'General case' 0 C--O 1.274 2.362 0 C-N-CA 128.567 2.747 . . . . 0.0 117.346 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 mt -119.02 12.22 12.69 Favored 'General case' 0 CA--C 1.603 3.019 0 C-N-CA 130.961 3.704 . . . . 0.0 114.839 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 23.7 m120 34.29 59.94 0.6 Allowed 'General case' 0 C--O 1.257 1.493 0 C-N-CA 129.386 3.075 . . . . 0.0 111.245 175.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 47.4 mt -116.28 161.67 18.65 Favored 'General case' 0 N--CA 1.517 2.898 0 O-C-N 118.95 -2.344 . . . . 0.0 108.219 169.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 22.5 p -72.45 145.57 47.51 Favored 'General case' 0 C--N 1.387 2.2 0 CA-C-N 121.467 1.94 . . . . 0.0 108.885 177.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -63.22 -36.14 82.66 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 119.634 -1.916 . . . . 0.0 113.143 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.5 -44.57 96.85 Favored 'General case' 0 CA--C 1.572 1.82 0 C-N-CA 128.39 2.676 . . . . 0.0 110.011 174.127 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -64.94 -32.35 74.03 Favored 'General case' 0 N--CA 1.509 2.485 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 167.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . 0.401 52.4 t -76.61 -40.37 33.37 Favored 'Isoleucine or valine' 0 C--N 1.368 1.399 1 O-C-N 115.729 -4.357 . . . . 0.0 113.873 177.734 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 75.7 m -47.92 -7.63 0.02 OUTLIER 'General case' 0 N--CA 1.416 -2.132 0 C-N-CA 130.391 3.476 . . . . 0.0 115.875 156.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -119.08 -37.79 3.15 Favored 'General case' 0 C--N 1.404 2.971 0 C-N-CA 128.036 2.534 . . . . 0.0 117.077 176.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -82.77 -54.12 5.36 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 127.244 2.218 . . . . 0.0 109.719 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.3 tp -58.51 -15.64 11.97 Favored 'General case' 0 C--N 1.368 1.386 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 173.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -87.08 -27.07 23.36 Favored 'General case' 0 C--O 1.261 1.702 0 CA-C-O 118.458 -0.782 . . . . 0.0 111.93 168.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.483 HD13 ' C ' ' B' ' 62' ' ' LEU . 1.6 tm? -61.55 -53.99 49.07 Favored 'General case' 0 CA--C 1.484 -1.58 0 CA-C-N 121.536 1.971 . . . . 0.0 110.99 172.309 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.567 HD22 ' SD ' ' B' ' 32' ' ' MET . 79.4 mt -56.89 -38.22 72.49 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 124.601 2.144 . . . . 0.0 110.043 -172.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -65.86 -49.99 66.14 Favored 'General case' 0 N--CA 1.523 3.216 0 CA-C-N 110.801 -2.909 . . . . 0.0 105.12 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.3 m -75.22 1.41 13.54 Favored 'General case' 0 CA--C 1.562 1.427 0 O-C-N 120.057 -1.652 . . . . 0.0 114.683 -173.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.454 HG23 ' HG ' ' B' ' 68' ' ' LEU 0.312 13.0 m -110.08 2.01 9.21 Favored 'Isoleucine or valine' 0 C--N 1.369 1.423 0 O-C-N 116.395 -3.94 . . . . 0.0 111.907 165.791 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . 0.263 0.9 OUTLIER 61.89 25.58 15.39 Favored 'General case' 0 N--CA 1.408 -2.528 0 C-N-CA 128.241 2.616 . . . . 0.0 117.439 -179.37 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.454 ' HG ' HG23 ' B' ' 66' ' ' VAL . 16.7 mt -72.55 -25.03 61.22 Favored 'General case' 0 N--CA 1.497 1.875 0 C-N-CA 128.189 2.596 . . . . 0.0 112.916 165.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.0 t -130.08 152.28 37.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 C-N-CA 129.026 2.93 . . . . 0.0 113.196 -171.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -138.53 137.89 37.49 Favored 'General case' 0 C--N 1.386 2.182 0 CA-C-O 125.278 2.466 . . . . 0.0 115.784 167.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.89 143.65 29.74 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 112.468 -2.151 . . . . 0.0 110.29 167.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 53.5 pttt . . . . . 0 N--CA 1.499 1.984 0 CA-C-N 114.651 -1.158 . . . . 0.0 110.078 174.461 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 42.5 mtm . . . . . 0 C--O 1.267 1.983 0 N-CA-C 103.991 -2.596 . . . . 0.0 103.991 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 28.3 mm -94.82 150.44 4.1 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.983 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 172.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -127.64 145.8 50.76 Favored 'General case' 0 CA--C 1.564 1.481 0 CA-C-O 124.344 2.021 . . . . 0.0 114.491 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 1.5 m -133.96 172.28 13.03 Favored 'General case' 0 N--CA 1.401 -2.904 0 C-N-CA 131.194 3.798 . . . . 0.0 113.287 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 9.6 mp -72.72 156.58 38.79 Favored 'General case' 0 C--O 1.265 1.917 0 O-C-N 118.872 -2.392 . . . . 0.0 107.158 157.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . 0.299 21.4 t0 -71.24 -51.34 25.18 Favored 'General case' 0 C--O 1.285 2.967 0 O-C-N 119.861 -1.775 . . . . 0.0 111.65 -169.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -151.75 -176.04 5.46 Favored 'General case' 0 C--N 1.377 1.793 0 CA-C-O 124.67 2.176 . . . . 0.0 109.945 166.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.52 ' C ' HD12 ' B' ' 85' ' ' ILE . 1.1 pp -76.03 0.15 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.16 0 CA-C-N 110.154 -3.203 . . . . 0.0 115.99 -176.405 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -64.72 -64.04 0.97 Allowed 'General case' 0 C--N 1.281 -2.408 1 O-C-N 115.744 -4.347 . . . . 0.0 116.561 167.01 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . 0.334 1.6 m -62.29 -32.88 56.29 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.176 0 CA-C-N 114.395 -1.275 . . . . 0.0 112.834 173.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.02 -36.87 85.0 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 117.009 -3.557 . . . . 0.0 110.074 176.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 5.4 m -77.58 -32.15 53.54 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 123.759 1.742 . . . . 0.0 108.976 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 7.5 tmm? -67.19 -44.82 78.69 Favored 'General case' 0 N--CA 1.409 -2.497 0 N-CA-C 120.244 3.424 . . . . 0.0 120.244 172.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 tt -56.7 -50.12 73.11 Favored 'General case' 0 C--O 1.248 0.981 0 CA-C-N 113.237 -1.801 . . . . 0.0 108.145 166.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -73.01 -33.35 65.7 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 118.115 -2.866 . . . . 0.0 109.672 -170.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -79.19 -7.48 58.25 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 117.419 -3.301 . . . . 0.0 113.807 171.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.02 -48.14 22.11 Favored 'General case' 0 CA--C 1.562 1.432 0 CA-C-O 115.152 -2.356 . . . . 0.0 112.18 158.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 2.2 mm -54.98 -41.06 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.804 0 O-C-N 125.5 1.75 . . . . 0.0 110.499 166.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . 0.274 0.9 OUTLIER -64.94 -35.02 79.8 Favored 'General case' 0 N--CA 1.525 3.289 0 O-C-N 120.732 -1.23 . . . . 0.0 114.198 -178.785 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -80.42 -22.71 40.93 Favored 'General case' 0 CA--C 1.576 1.969 0 CA-C-O 124.802 2.239 . . . . 0.0 111.343 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -77.52 -15.75 59.09 Favored 'General case' 0 C--N 1.377 1.772 1 CA-C-O 129.814 4.626 . . . . 0.0 115.682 168.194 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -138.06 93.34 2.75 Favored 'General case' 0 C--O 1.265 1.898 1 O-C-N 114.18 -5.325 . . . . 0.0 109.584 -166.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 67.0 m170 . . . . . 0 N--CA 1.512 2.671 0 CA-C-O 114.282 -2.77 . . . . 0.0 114.801 -179.113 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 117.317 -1.325 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 47.33 -33.6 0.0 OUTLIER 'General case' 0 CA--C 1.581 2.16 1 C-N-CA 135.027 5.331 . . . . 0.0 116.593 177.52 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.4 p -148.58 -30.74 0.27 Allowed 'General case' 0 C--O 1.266 1.941 0 C-N-CA 130.162 3.385 . . . . 0.0 115.136 -172.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . 0.25 1.4 mm? -55.46 -41.48 72.99 Favored 'General case' 0 CA--C 1.561 1.367 0 CA-C-O 115.983 -1.96 . . . . 0.0 114.294 -173.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -62.82 -24.81 67.95 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 120.841 1.655 . . . . 0.0 115.378 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -81.21 -12.08 59.24 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 162.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.54 HG12 ' CZ ' ' A' ' 20' ' ' PHE . 4.0 t -83.93 -41.1 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.156 -0.965 . . . . 0.0 111.73 170.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.7 p -67.58 -26.7 66.41 Favored 'General case' 0 N--CA 1.512 2.637 0 C-N-CA 118.345 -1.342 . . . . 0.0 111.623 171.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -68.47 -15.54 63.58 Favored 'General case' 0 C--O 1.204 -1.303 0 C-N-CA 125.898 1.679 . . . . 0.0 112.658 167.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.426 HD11 HG13 ' A' ' 16' ' ' VAL . 2.7 pp -116.76 29.74 2.44 Favored 'Isoleucine or valine' 0 C--N 1.363 1.184 0 CA-C-N 120.943 1.701 . . . . 0.0 112.709 170.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.54 ' CZ ' HG12 ' A' ' 16' ' ' VAL . 10.2 m-85 -117.01 -37.88 3.5 Favored 'General case' 0 C--N 1.366 1.32 0 O-C-N 118.251 -2.781 . . . . 0.0 110.59 160.05 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -63.34 64.98 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.043 0 O-C-N 124.467 1.104 . . . . 0.0 110.856 150.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -176.99 -26.44 0.01 OUTLIER 'General case' 0 C--N 1.264 -3.112 0 O-C-N 128.554 3.659 . . . . 0.0 109.751 -176.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.6 mt -92.78 -123.5 0.09 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 127.841 2.456 . . . . 0.0 106.785 172.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.29 22.43 0.95 Allowed Glycine 1 CA--C 1.618 6.493 1 N-CA-C 123.864 4.306 . . . . 0.0 123.864 -179.346 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -145.42 -177.69 5.69 Favored 'General case' 0 C--N 1.396 2.598 0 N-CA-C 116.86 2.17 . . . . 0.0 116.86 164.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -99.2 -61.44 1.37 Allowed 'General case' 0 CA--C 1.552 1.035 0 O-C-N 119.104 -2.247 . . . . 0.0 114.065 -165.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -68.83 -45.38 71.3 Favored 'General case' 0 CA--C 1.574 1.875 0 O-C-N 117.144 -3.473 . . . . 0.0 109.167 -175.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -28.95 -30.81 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.587 0 C-N-CA 128.864 2.866 . . . . 0.0 116.083 169.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.9 pt -120.65 -12.43 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 174.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.1 ttp85 -62.6 -20.13 64.43 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 117.573 -3.204 . . . . 0.0 112.827 165.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.413 HG13 HD22 ' A' ' 49' ' ' LEU . 9.4 mt -80.34 -40.86 20.2 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.434 0 O-C-N 119.554 -1.966 . . . . 0.0 112.074 167.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 87.5 mtp -81.15 -50.04 10.09 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-O 115.101 -2.38 . . . . 0.0 108.119 -163.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.444 ' N ' HD22 ' A' ' 91' ' ' LEU . 10.4 tm-20 -11.75 -54.29 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.681 0 N-CA-C 120.43 3.493 . . . . 0.0 120.43 141.323 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.64 ' C ' HD13 ' A' ' 34' ' ' LEU 0.252 0.2 OUTLIER -81.39 -43.2 19.32 Favored 'General case' 0 N--CA 1.511 2.584 0 CA-C-N 113.782 -1.554 . . . . 0.0 112.561 -175.801 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.459 ' CD2' ' H ' ' A' ' 40' ' ' ALA . 90.0 mt -65.74 -25.87 67.48 Favored 'General case' 0 C--O 1.192 -1.955 0 O-C-N 121.606 -0.684 . . . . 0.0 109.973 -175.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.3 m -67.0 -5.94 14.89 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 129.401 3.081 . . . . 0.0 116.007 174.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.5 m -135.63 -21.72 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 167.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.5 m -155.01 113.5 3.53 Favored 'General case' 0 CA--C 1.489 -1.394 0 C-N-CA 125.645 1.578 . . . . 0.0 109.003 166.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -66.63 143.17 57.16 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 124.089 1.9 . . . . 0.0 112.894 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.459 ' H ' ' CD2' ' A' ' 35' ' ' LEU . . . -141.65 147.83 38.18 Favored 'General case' 0 CA--C 1.623 3.768 0 C-N-CA 129.007 2.923 . . . . 0.0 109.763 -174.028 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.9 t -103.81 170.45 7.92 Favored 'General case' 1 N--CA 1.587 6.394 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 171.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 t -23.7 -65.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.366 1.315 0 C-N-CA 126.238 1.815 . . . . 0.0 114.564 174.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.98 -38.85 94.82 Favored Glycine 0 C--N 1.338 0.687 0 O-C-N 126.095 2.122 . . . . 0.0 115.949 -178.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -84.73 -24.86 28.68 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 116.869 2.174 . . . . 0.0 116.869 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.408 HG23 HD13 ' A' ' 49' ' ' LEU . 54.3 mt -66.79 -55.72 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.793 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 169.151 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -43.46 -44.17 5.72 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 128.611 2.764 . . . . 0.0 114.593 169.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -60.37 -74.0 0.08 Allowed 'General case' 0 C--O 1.203 -1.359 0 O-C-N 118.186 -2.821 . . . . 0.0 113.692 163.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -71.0 -32.76 69.68 Favored 'General case' 0 CA--C 1.599 2.839 0 CA-C-O 122.803 1.287 . . . . 0.0 111.715 -154.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.413 HD22 HG13 ' A' ' 31' ' ' ILE . 2.7 mp -102.54 10.77 38.63 Favored 'General case' 0 CA--C 1.567 1.621 0 CA-C-O 116.905 -1.521 . . . . 0.0 111.139 176.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.4 m120 57.09 50.1 12.54 Favored 'General case' 0 N--CA 1.51 2.54 0 N-CA-C 118.883 2.92 . . . . 0.0 118.883 172.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.9 mt -112.9 -142.51 0.38 Allowed 'General case' 0 CA--C 1.584 2.279 0 C-N-CA 127.084 2.154 . . . . 0.0 113.424 -177.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.5 p -155.43 164.74 38.31 Favored 'General case' 0 CA--C 1.577 2.019 0 CA-C-N 120.638 1.563 . . . . 0.0 110.221 -178.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -74.43 -44.41 51.95 Favored 'General case' 0 N--CA 1.426 -1.627 0 C-N-CA 118.462 -1.295 . . . . 0.0 114.426 -166.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.5 m -68.22 -42.83 79.23 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 123.148 1.451 . . . . 0.0 109.313 -174.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -51.71 -48.88 63.39 Favored 'General case' 0 C--O 1.194 -1.847 1 C-N-CA 132.129 4.172 . . . . 0.0 112.125 171.229 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.512 ' C ' ' H ' ' A' ' 58' ' ' HIS . 74.7 t -83.13 -32.78 9.72 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.003 0 O-C-N 118.687 -2.508 . . . . 0.0 111.411 -175.67 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.6 m -60.16 10.15 0.02 OUTLIER 'General case' 0 C--O 1.248 1.003 0 O-C-N 117.08 -3.512 . . . . 0.0 113.701 162.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.512 ' H ' ' C ' ' A' ' 56' ' ' VAL . 52.4 t-80 -140.56 -30.73 0.64 Allowed 'General case' 0 CA--C 1.567 1.631 0 O-C-N 120.363 -1.46 . . . . 0.0 111.403 -178.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -95.22 -30.58 13.92 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 118.215 -2.803 . . . . 0.0 110.339 177.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.447 HD21 ' CD1' ' A' ' 80' ' ' TYR . 7.7 tp -60.61 -50.35 73.88 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 129.058 2.943 . . . . 0.0 111.563 156.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -62.71 -39.24 93.41 Favored 'General case' 0 C--N 1.393 2.473 0 N-CA-C 106.668 -1.605 . . . . 0.0 106.668 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.431 HD13 ' N ' ' A' ' 63' ' ' LEU . 2.7 tm? -52.3 -70.19 0.09 Allowed 'General case' 1 N--CA 1.54 4.038 0 CA-C-O 115.134 -2.365 . . . . 0.0 111.157 172.629 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.431 ' N ' HD13 ' A' ' 62' ' ' LEU . 92.7 mt -45.82 -53.6 9.41 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 124.122 1.915 . . . . 0.0 111.823 -174.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -49.86 -31.46 12.1 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 111.591 -2.549 . . . . 0.0 117.231 169.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.1 m -90.35 3.91 52.34 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 174.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.7 m -126.04 7.02 4.0 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.5 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 177.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.256 17.9 p-80 56.97 26.82 12.3 Favored 'General case' 0 N--CA 1.419 -2.005 0 CA-C-O 126.35 2.976 . . . . 0.0 115.503 175.095 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.5 mp -79.23 -24.95 42.7 Favored 'General case' 0 C--O 1.247 0.936 0 CA-C-N 113.344 -1.753 . . . . 0.0 115.699 159.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -126.52 155.88 37.07 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.688 0 C-N-CA 131.604 3.961 . . . . 0.0 118.024 -174.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -144.63 128.75 17.64 Favored 'General case' 0 N--CA 1.422 -1.825 0 O-C-N 120.156 -1.59 . . . . 0.0 111.657 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.782 ' HB2' ' CE2' ' A' ' 80' ' ' TYR . . . -81.09 146.7 30.47 Favored 'General case' 0 CA--C 1.572 1.798 0 C-N-CA 128.682 2.793 . . . . 0.0 112.704 173.2 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -150.19 151.95 33.88 Favored 'General case' 0 CA--C 1.485 -1.547 0 CA-C-O 122.843 1.306 . . . . 0.0 109.049 169.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 56.9 ttt-85 . . . . . 0 C--N 1.382 1.993 0 C-N-CA 125.114 1.366 . . . . 0.0 108.92 -171.522 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 93.6 mmm . . . . . 0 C--O 1.214 -0.805 0 CA-C-O 122.878 1.323 . . . . 0.0 112.988 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . 0.253 5.6 mm -99.88 155.84 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.52 0 N-CA-C 105.069 -2.197 . . . . 0.0 105.069 175.218 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.782 ' CE2' ' HB2' ' A' ' 71' ' ' ALA . 45.1 m-85 -135.85 149.29 48.99 Favored 'General case' 0 CA--C 1.461 -2.473 0 CA-C-N 110.383 -3.099 . . . . 0.0 113.533 177.307 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.8 m -146.78 165.94 28.14 Favored 'General case' 0 C--O 1.192 -1.97 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 -161.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -53.33 149.04 7.87 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-O 124.752 2.215 . . . . 0.0 109.502 163.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . 0.335 30.7 t70 -52.56 -58.35 7.05 Favored 'General case' 0 N--CA 1.506 2.344 1 O-C-N 113.623 -5.673 . . . . 0.0 113.845 167.633 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -156.7 -177.34 6.54 Favored 'General case' 0 C--O 1.248 0.991 0 CA-C-O 125.018 2.342 . . . . 0.0 110.448 172.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.8 tp -62.9 -18.01 20.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 116.657 -3.777 . . . . 0.0 114.277 176.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -69.03 -50.49 48.2 Favored 'General case' 0 C--O 1.209 -1.077 0 O-C-N 116.654 -3.779 . . . . 0.0 112.098 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.6 p -78.01 -34.74 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.999 0 CA-C-N 112.649 -2.069 . . . . 0.0 116.436 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -47.12 -49.13 22.66 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 120.335 1.425 . . . . 0.0 112.85 154.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.5 m -64.63 -53.34 49.19 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 -175.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 36.8 ttp -53.94 -44.87 71.01 Favored 'General case' 0 C--N 1.389 2.3 0 C-N-CA 125.872 1.669 . . . . 0.0 109.034 -172.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 33' ' ' GLU . 3.3 tt -66.15 -38.2 87.52 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 117.238 -3.414 . . . . 0.0 114.596 167.337 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.5 tptt -71.23 -41.1 70.59 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 119.262 -2.149 . . . . 0.0 114.755 -176.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -74.79 -16.64 60.7 Favored 'General case' 0 N--CA 1.507 2.414 0 O-C-N 120.208 -1.558 . . . . 0.0 114.918 172.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -78.78 -42.75 27.11 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 117.452 2.39 . . . . 0.0 117.452 164.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -57.01 -21.22 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.287 0 C-N-CA 125.856 1.663 . . . . 0.0 110.183 169.174 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -90.88 0.59 57.45 Favored 'General case' 0 CA--C 1.555 1.164 0 N-CA-C 117.547 2.425 . . . . 0.0 117.547 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -119.18 6.65 11.24 Favored 'General case' 0 N--CA 1.521 3.122 0 O-C-N 120.247 -1.533 . . . . 0.0 114.533 163.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.636 ' HB1' ' HB2' ' B' ' 15' ' ' ARG . . . -67.77 -47.86 68.02 Favored 'General case' 0 N--CA 1.505 2.288 0 C-N-CA 126.124 1.77 . . . . 0.0 113.012 164.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -136.39 177.2 8.03 Favored 'General case' 0 N--CA 1.507 2.418 0 CA-C-N 119.272 0.942 . . . . 0.0 112.231 164.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -141.12 60.95 13.32 Favored Pre-proline 0 N--CA 1.513 2.683 0 O-C-N 126.432 2.333 . . . . 0.0 111.6 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo . . . . . 0 N--CA 1.429 -2.309 1 C-N-CA 127.148 5.232 . . . . 0.0 113.299 -165.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 62.9 p . . . . . 0 C--O 1.212 -0.876 0 CA-C-O 117.51 -1.233 . . . . 0.0 112.827 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 34.76 -15.76 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.679 0 N-CA-C 119.873 3.286 . . . . 0.0 119.873 -150.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 33.0 p -116.0 -57.18 2.24 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-N 121.978 2.172 . . . . 0.0 107.673 -162.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.2 -53.93 19.0 Favored 'General case' 0 C--O 1.186 -2.248 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 165.476 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -47.7 -5.61 0.01 OUTLIER 'General case' 0 C--N 1.276 -2.592 0 C-N-CA 127.393 2.277 . . . . 0.0 116.009 161.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.636 ' HB2' ' HB1' ' A' ' 98' ' ' ALA . 2.7 mmp_? -132.02 -19.27 2.57 Favored 'General case' 0 N--CA 1.404 -2.769 0 N-CA-C 119.707 3.225 . . . . 0.0 119.707 177.377 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.476 HG12 HD12 ' B' ' 19' ' ' ILE . 21.4 m -88.03 -12.33 10.44 Favored 'Isoleucine or valine' 0 C--N 1.369 1.443 0 O-C-N 117.674 -3.141 . . . . 0.0 115.208 171.451 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.5 p -68.37 -38.04 81.02 Favored 'General case' 0 C--O 1.199 -1.6 0 C-N-CA 117.016 -1.874 . . . . 0.0 110.671 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . 0.262 5.1 tp10 -52.59 -36.7 56.68 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-N 112.429 -2.169 . . . . 0.0 115.692 162.273 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.476 HD12 HG12 ' B' ' 16' ' ' VAL . 50.4 mt -76.53 -42.93 35.48 Favored 'Isoleucine or valine' 0 C--O 1.259 1.576 0 CA-C-O 114.579 -2.629 . . . . 0.0 111.695 169.607 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . 0.27 5.1 m-30 -79.75 -9.94 59.72 Favored 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 130.801 3.641 . . . . 0.0 110.713 -167.375 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -84.05 -42.63 15.94 Favored 'General case' 0 C--O 1.276 2.483 0 C-N-CA 127.656 2.383 . . . . 0.0 115.247 157.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.73 -16.04 61.66 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 -176.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 80.9 mt -67.51 -11.81 58.84 Favored 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 124.931 1.293 . . . . 0.0 113.383 178.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.09 42.86 0.3 Allowed Glycine 0 C--O 1.197 -2.209 0 C-N-CA 130.1 3.714 . . . . 0.0 115.347 -161.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -157.72 131.9 8.21 Favored 'General case' 0 CA--C 1.597 2.754 0 CA-C-N 121.316 2.558 . . . . 0.0 106.027 173.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -33.83 74.43 Favored 'General case' 0 CA--C 1.564 1.509 0 CA-C-N 120.061 1.301 . . . . 0.0 110.152 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -69.0 -42.38 76.52 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -178.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -56.76 -35.01 68.15 Favored 'General case' 0 C--O 1.168 -3.194 0 C-N-CA 123.859 0.864 . . . . 0.0 111.596 174.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 13.2 mm -89.62 -45.73 15.22 Favored 'Isoleucine or valine' 0 C--O 1.258 1.514 0 C-N-CA 126.538 1.935 . . . . 0.0 113.279 -169.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -54.12 -24.16 16.67 Favored 'General case' 0 C--N 1.396 2.623 0 C-N-CA 127.108 2.163 . . . . 0.0 107.897 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 31.5 mt -72.8 -38.05 56.53 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.749 0 O-C-N 118.88 -2.388 . . . . 0.0 111.776 171.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' MET . . . . . 0.467 ' HB2' ' CD1' ' B' ' 91' ' ' LEU 0.256 70.5 mtm -91.01 -43.24 10.06 Favored 'General case' 0 C--N 1.289 -2.032 1 O-C-N 116.289 -4.007 . . . . 0.0 114.035 -173.199 . . . . . . . . 4 3 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -21.73 -43.33 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 127.271 2.228 . . . . 0.0 114.979 135.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.553 ' O ' HG22 ' B' ' 37' ' ' VAL . 0.4 OUTLIER -78.0 -54.09 6.68 Favored 'General case' 0 C--O 1.265 1.872 0 O-C-N 118.989 -2.319 . . . . 0.0 114.437 168.196 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.409 ' CD2' ' H ' ' B' ' 40' ' ' ALA . 30.9 mt -61.35 -32.62 72.51 Favored 'General case' 0 CA--C 1.592 2.574 0 C-N-CA 127.757 2.423 . . . . 0.0 115.433 -170.024 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 36.9 p -62.95 -10.2 12.72 Favored 'General case' 0 N--CA 1.518 2.944 0 CA-C-N 110.653 -2.976 . . . . 0.0 117.735 164.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.553 HG22 ' O ' ' B' ' 34' ' ' LEU 0.296 20.8 m -117.05 -52.28 4.41 Favored 'Isoleucine or valine' 0 C--N 1.365 1.279 0 C-N-CA 129.82 3.248 . . . . 0.0 111.649 172.237 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 9.1 t -130.47 138.67 50.38 Favored 'General case' 0 C--O 1.202 -1.441 0 C-N-CA 128.895 2.878 . . . . 0.0 115.064 166.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -78.14 134.47 37.67 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 117.838 2.532 . . . . 0.0 117.838 177.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.409 ' H ' ' CD2' ' B' ' 35' ' ' LEU . . . -144.01 156.85 44.55 Favored 'General case' 0 C--O 1.254 1.314 0 O-C-N 119.918 -1.739 . . . . 0.0 110.238 -176.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.418 ' HB2' ' HA ' ' B' ' 79' ' ' ILE . 41.2 t -122.42 150.6 42.24 Favored 'General case' 0 C--O 1.255 1.384 0 O-C-N 127.846 3.217 . . . . 0.0 108.228 -175.25 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 40.6 t -15.0 -65.78 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.96 0 O-C-N 127.409 2.943 . . . . 0.0 118.652 -176.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.8 -45.39 79.71 Favored Glycine 0 CA--C 1.575 3.798 0 O-C-N 126.694 2.496 . . . . 0.0 110.761 -177.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -80.19 -39.11 29.86 Favored 'General case' 0 N--CA 1.419 -2.016 0 C-N-CA 126.437 1.895 . . . . 0.0 111.127 -177.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.561 HG23 HD13 ' B' ' 49' ' ' LEU . 92.3 mt -50.39 -40.5 18.37 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.205 0 O-C-N 119.848 -1.782 . . . . 0.0 112.267 165.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 43.1 m -64.8 -22.76 67.05 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 177.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . 0.255 5.9 t-80 -88.84 -40.21 13.3 Favored 'General case' 0 N--CA 1.512 2.659 0 C-N-CA 124.282 1.033 . . . . 0.0 111.539 173.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -81.51 -24.66 36.53 Favored 'General case' 0 C--O 1.209 -1.028 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -171.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.561 HD13 HG23 ' B' ' 45' ' ' ILE . 5.3 mp -124.45 11.36 8.63 Favored 'General case' 0 C--N 1.363 1.188 0 N-CA-C 117.118 2.266 . . . . 0.0 117.118 179.23 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 20.0 m120 49.31 56.81 7.25 Favored 'General case' 0 C--O 1.279 2.643 0 C-N-CA 126.992 2.117 . . . . 0.0 106.097 170.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 72.5 mt -109.46 158.34 18.06 Favored 'General case' 0 CA--C 1.578 2.029 0 C-N-CA 128.584 2.753 . . . . 0.0 104.654 168.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.0 p -76.11 144.51 40.61 Favored 'General case' 0 CA--C 1.555 1.145 0 O-C-N 120.563 -1.336 . . . . 0.0 112.471 163.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -63.57 -36.59 84.3 Favored 'General case' 0 C--O 1.204 -1.316 0 O-C-N 116.615 -3.803 . . . . 0.0 108.625 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.0 m -67.5 -23.59 65.49 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 121.228 1.831 . . . . 0.0 111.426 -177.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -76.02 -39.02 56.6 Favored 'General case' 0 C--O 1.3 3.733 0 O-C-N 118.83 -2.419 . . . . 0.0 112.412 168.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . 0.387 21.7 t -76.14 -34.66 26.82 Favored 'Isoleucine or valine' 0 C--O 1.279 2.615 0 CA-C-O 113.888 -2.958 . . . . 0.0 113.154 -178.358 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 29.3 m -58.07 0.53 0.06 Allowed 'General case' 0 C--N 1.37 1.462 0 O-C-N 126.605 2.441 . . . . 0.0 114.84 162.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -124.57 -37.48 2.5 Favored 'General case' 0 CA--C 1.485 -1.535 0 CA-C-N 120.073 1.306 . . . . 0.0 114.512 174.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -66.84 -40.44 87.94 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 118.386 -2.696 . . . . 0.0 110.773 174.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 tp -66.05 -36.22 82.64 Favored 'General case' 0 C--O 1.277 2.519 0 O-C-N 119.343 -2.098 . . . . 0.0 108.373 177.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -76.44 -36.0 58.19 Favored 'General case' 0 C--N 1.376 1.757 0 O-C-N 116.96 -3.588 . . . . 0.0 113.628 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -53.1 -60.81 2.82 Favored 'General case' 0 C--O 1.251 1.144 0 CA-C-N 120.263 1.392 . . . . 0.0 108.089 168.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 86.3 mt -55.06 -37.84 67.26 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 123.859 0.725 . . . . 0.0 112.609 -174.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -55.83 -56.64 18.17 Favored 'General case' 0 C--O 1.207 -1.155 0 C-N-CA 128.915 2.886 . . . . 0.0 107.971 179.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.0 m -62.54 -8.54 6.52 Favored 'General case' 0 CA--C 1.573 1.839 0 C-N-CA 129.726 3.211 . . . . 0.0 118.352 171.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 1.3 m -112.87 19.95 6.84 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.916 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 159.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 27.9 m170 56.52 13.73 1.44 Allowed 'General case' 0 C--O 1.272 2.256 0 N-CA-C 118.205 2.668 . . . . 0.0 118.205 170.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.462 HD21 HG12 ' B' ' 19' ' ' ILE . 10.5 mt -86.38 -23.08 26.27 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.393 -0.817 . . . . 0.0 109.505 171.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.0 t -108.86 151.8 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 O-C-N 125.314 1.634 . . . . 0.0 112.002 169.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.501 ' HG2' ' HB2' ' B' ' 81' ' ' SER . 18.7 ptmt -132.5 161.39 33.88 Favored 'General case' 0 N--CA 1.501 2.093 0 CA-C-N 114.808 -1.087 . . . . 0.0 113.391 158.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' ALA . . . . . 0.411 ' HB2' ' CE2' ' B' ' 80' ' ' TYR . . . -96.95 171.59 8.4 Favored 'General case' 0 C--O 1.265 1.908 0 CA-C-N 113.475 -1.693 . . . . 0.0 110.18 159.039 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 48.4 pttt . . . . . 0 N--CA 1.488 1.457 1 C-N-CA 135.453 5.501 . . . . 0.0 111.279 164.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 36.5 mtm . . . . . 0 N--CA 1.51 2.575 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.418 ' HA ' ' HB2' ' B' ' 41' ' ' SER 0.263 43.3 mm -86.63 156.92 3.3 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 161.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 80' ' ' TYR . . . . . 0.411 ' CE2' ' HB2' ' B' ' 71' ' ' ALA . 53.6 m-85 -127.12 149.98 49.7 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 126.827 2.051 . . . . 0.0 113.157 179.024 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 81' ' ' SER . . . . . 0.501 ' HB2' ' HG2' ' B' ' 70' ' ' LYS . 58.1 m -143.81 156.24 44.41 Favored 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 128.925 2.89 . . . . 0.0 110.321 -170.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 mt -48.57 141.85 6.58 Favored 'General case' 0 C--O 1.261 1.661 0 O-C-N 119.952 -1.717 . . . . 0.0 110.791 147.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -65.47 -41.97 92.76 Favored 'General case' 0 CA--C 1.492 -1.26 0 O-C-N 120.265 -1.522 . . . . 0.0 114.442 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -167.53 -175.45 2.84 Favored 'General case' 0 C--O 1.248 0.998 0 C-N-CA 118.105 -1.438 . . . . 0.0 112.048 158.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.8 pp -64.57 -2.59 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 C-N-CA 127.094 2.157 . . . . 0.0 112.009 -172.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -72.42 -69.21 0.42 Allowed 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 123.492 2.86 . . . . 0.0 111.96 172.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.422 ' HA ' ' HB3' ' B' ' 90' ' ' MET . 3.2 m -77.05 -15.8 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.339 0 CA-C-N 124.284 3.22 . . . . 0.0 112.652 -177.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.07 -49.75 65.77 Favored 'General case' 1 CA--C 1.642 4.506 0 C-N-CA 128.949 2.9 . . . . 0.0 106.254 161.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 89.0 m -77.4 -33.3 55.08 Favored 'General case' 0 C--N 1.285 -2.205 0 CA-C-O 116.947 -1.502 . . . . 0.0 112.079 -172.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 90' ' ' MET . . . . . 0.422 ' HB3' ' HA ' ' B' ' 87' ' ' VAL . 14.7 tmm? -57.89 -51.41 69.74 Favored 'General case' 0 N--CA 1.512 2.672 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 162.205 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' B' ' 32' ' ' MET . 5.4 tt -66.61 -54.28 25.15 Favored 'General case' 0 N--CA 1.49 1.535 1 CA-C-O 110.932 -4.366 . . . . 0.0 108.605 178.482 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -52.73 -34.28 51.96 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 124.679 3.4 . . . . 0.0 111.492 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -82.69 -12.75 57.36 Favored 'General case' 0 C--O 1.252 1.214 0 C-N-CA 126.362 1.865 . . . . 0.0 113.083 -177.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.64 -45.46 19.02 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.545 1.938 . . . . 0.0 107.362 172.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 2.8 mm -59.37 -43.51 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 120.868 -1.145 . . . . 0.0 108.268 169.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -64.18 -32.24 73.74 Favored 'General case' 0 CA--C 1.585 2.3 0 O-C-N 121.24 -0.912 . . . . 0.0 112.8 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -70.75 -40.73 72.52 Favored 'General case' 0 N--CA 1.424 -1.754 0 C-N-CA 117.433 -1.707 . . . . 0.0 113.651 171.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.57 -23.99 66.35 Favored 'General case' 0 N--CA 1.533 3.702 0 N-CA-C 119.115 3.006 . . . . 0.0 119.115 168.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -128.35 85.31 2.32 Favored 'General case' 0 C--N 1.372 1.577 0 O-C-N 127.101 2.751 . . . . 0.0 108.305 -170.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 39.7 m170 . . . . . 0 CA--C 1.586 2.348 0 O-C-N 127.634 3.084 . . . . 0.0 113.54 176.848 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.525 3.28 0 CA-C-O 118.634 -0.698 . . . . 0.0 112.159 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 49.84 -34.52 0.0 OUTLIER 'General case' 0 N--CA 1.523 3.223 1 N-CA-C 122.537 4.273 . . . . 0.0 122.537 -172.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.1 p -147.03 -37.92 0.21 Allowed 'General case' 0 C--O 1.273 2.325 0 C-N-CA 126.575 1.95 . . . . 0.0 115.347 -174.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.44 -31.05 70.99 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-O 115.558 -2.163 . . . . 0.0 113.759 -163.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -58.39 -18.59 29.1 Favored 'General case' 0 C--O 1.204 -1.295 0 CA-C-N 123.523 2.874 . . . . 0.0 110.009 176.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -93.17 -23.6 18.52 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 127.536 2.334 . . . . 0.0 112.903 -175.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.5 t -99.09 -40.68 9.15 Favored 'Isoleucine or valine' 0 C--O 1.247 0.939 0 C-N-CA 127.975 2.51 . . . . 0.0 109.28 -165.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.1 p -40.27 -38.25 0.76 Allowed 'General case' 0 C--O 1.218 -0.564 0 O-C-N 117.069 -3.52 . . . . 0.0 113.179 154.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -58.56 -24.18 60.18 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 119.88 1.218 . . . . 0.0 113.662 175.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.3 pp -104.95 17.64 5.42 Favored 'Isoleucine or valine' 0 C--O 1.26 1.612 0 O-C-N 119.084 -2.26 . . . . 0.0 113.606 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -106.73 -43.62 4.66 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.409 1.884 . . . . 0.0 111.454 161.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -59.46 61.91 0.0 OUTLIER 'General case' 0 C--N 1.28 -2.446 0 C-N-CA 130.324 3.45 . . . . 0.0 112.753 147.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -165.39 -38.9 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.107 1 CA-C-N 107.343 -4.48 . . . . 0.0 106.709 173.13 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.482 HD13 ' CG ' ' B' ' 20' ' ' PHE . 4.9 mt -81.44 -135.12 0.03 OUTLIER 'General case' 0 N--CA 1.524 3.246 0 C-N-CA 131.436 3.894 . . . . 0.0 110.151 -176.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.86 14.89 32.49 Favored Glycine 0 CA--C 1.555 2.552 0 O-C-N 127.885 3.24 . . . . 0.0 117.743 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -130.75 171.12 13.47 Favored 'General case' 0 C--N 1.396 2.627 0 O-C-N 125.86 1.564 . . . . 0.0 111.972 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -89.76 -70.57 0.66 Allowed 'General case' 0 C--N 1.363 1.181 0 C-N-CA 126.682 1.993 . . . . 0.0 112.317 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -65.73 -52.25 52.7 Favored 'General case' 0 CA--C 1.578 2.035 0 O-C-N 125.515 1.759 . . . . 0.0 110.331 -168.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.587 ' HG2' HD21 ' A' ' 63' ' ' LEU . 32.6 ttm180 -22.44 -34.41 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.417 0 C-N-CA 131.353 3.861 . . . . 0.0 117.137 167.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.536 HG13 HD11 ' B' ' 13' ' ' LEU . 16.2 pt -118.02 -14.46 9.63 Favored 'Isoleucine or valine' 0 C--O 1.263 1.806 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.8 ttp85 -63.72 -26.05 68.48 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 125.67 2.653 . . . . 0.0 111.672 161.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.2 mt -65.35 -51.62 62.18 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.294 0 O-C-N 119.004 -2.31 . . . . 0.0 112.487 167.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.564 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 29.2 mtp -83.93 -44.76 13.9 Favored 'General case' 0 C--O 1.261 1.67 0 O-C-N 119.73 -1.856 . . . . 0.0 115.562 -170.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -21.39 -52.01 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 117.924 2.565 . . . . 0.0 117.924 145.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.89 -57.1 4.12 Favored 'General case' 0 N--CA 1.517 2.879 0 C-N-CA 119.565 -0.854 . . . . 0.0 112.031 179.231 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.444 HD23 ' H ' ' A' ' 40' ' ' ALA . 73.5 mt -52.59 -22.87 5.47 Favored 'General case' 0 C--O 1.19 -2.06 0 N-CA-C 117.04 2.237 . . . . 0.0 117.04 -173.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.256 8.5 m -74.78 -10.32 59.4 Favored 'General case' 0 C--O 1.182 -2.462 0 CA-C-N 110.889 -2.868 . . . . 0.0 112.83 177.394 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.2 m -140.04 -23.11 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 CA-C-N 115.248 -0.887 . . . . 0.0 112.803 -174.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.2 m -161.53 95.77 1.02 Allowed 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 124.918 2.294 . . . . 0.0 109.453 156.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -55.76 142.82 33.17 Favored 'General case' 0 N--CA 1.522 3.135 0 N-CA-C 117.537 2.421 . . . . 0.0 117.537 -176.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.444 ' H ' HD23 ' A' ' 35' ' ' LEU . . . -142.95 166.69 23.96 Favored 'General case' 0 C--N 1.421 3.681 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 173.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.5 t -96.8 154.0 17.55 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 112.019 -2.355 . . . . 0.0 110.544 169.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.424 ' CG2' HD23 ' A' ' 60' ' ' LEU . 38.6 t -12.8 -64.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.267 1.986 0 C-N-CA 130.023 3.329 . . . . 0.0 119.759 171.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.76 -40.75 93.32 Favored Glycine 0 C--O 1.276 2.758 0 N-CA-C 118.972 2.349 . . . . 0.0 118.972 171.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -89.83 -24.43 21.42 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 120.288 2.044 . . . . 0.0 105.589 -173.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.3 mt -50.84 -61.51 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.266 0 CA-C-N 118.676 0.671 . . . . 0.0 109.973 158.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.451 ' HA ' ' HB2' ' A' ' 51' ' ' LEU . 29.5 m -58.44 -16.28 14.37 Favored 'General case' 0 N--CA 1.424 -1.768 0 C-N-CA 129.072 2.949 . . . . 0.0 112.033 178.333 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -89.92 -61.03 1.78 Allowed 'General case' 0 N--CA 1.506 2.339 0 CA-C-O 114.546 -2.645 . . . . 0.0 109.128 172.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -77.23 -27.96 53.55 Favored 'General case' 0 C--N 1.285 -2.222 0 C-N-CA 128.148 2.579 . . . . 0.0 107.029 -163.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 mp -96.79 -4.45 40.48 Favored 'General case' 0 CA--C 1.558 1.265 1 O-C-N 114.836 -4.915 . . . . 0.0 108.557 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.265 30.8 m120 47.13 65.14 1.32 Allowed 'General case' 0 N--CA 1.425 -1.679 0 O-C-N 117.714 -3.117 . . . . 0.0 113.16 -174.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 46' ' ' SER . 79.9 mt -108.22 -133.25 0.33 Allowed 'General case' 0 C--N 1.391 2.39 0 CA-C-N 111.679 -2.51 . . . . 0.0 113.798 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.1 p -159.02 151.49 21.55 Favored 'General case' 0 N--CA 1.52 3.046 0 CA-C-O 117.793 -1.099 . . . . 0.0 109.02 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -60.24 -31.98 70.7 Favored 'General case' 0 N--CA 1.509 2.502 0 O-C-N 125.499 1.749 . . . . 0.0 111.288 174.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . 0.252 29.8 m -63.39 -30.46 71.58 Favored 'General case' 0 N--CA 1.525 3.299 0 C-N-CA 128.675 2.79 . . . . 0.0 110.36 170.033 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -80.38 -43.75 20.56 Favored 'General case' 0 CA--C 1.559 1.314 0 CA-C-O 128.303 3.906 . . . . 0.0 105.895 -171.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.7 t -91.16 -37.04 8.68 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.608 1 O-C-N 116.143 -4.098 . . . . 0.0 113.643 -158.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.7 m -70.75 18.73 0.06 Allowed 'General case' 0 CA--C 1.555 1.166 0 O-C-N 119.673 -1.892 . . . . 0.0 115.754 166.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -122.81 -50.02 1.97 Allowed 'General case' 0 C--O 1.25 1.118 0 C-N-CA 128.064 2.546 . . . . 0.0 108.431 175.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -90.34 -41.03 11.74 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 130.048 3.339 . . . . 0.0 110.896 -171.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.424 HD23 ' CG2' ' A' ' 42' ' ' VAL . 21.9 tp -67.82 -34.77 77.4 Favored 'General case' 0 CA--C 1.56 1.361 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 171.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -65.67 -45.88 81.23 Favored 'General case' 0 C--O 1.189 -2.126 0 CA-C-O 114.618 -2.61 . . . . 0.0 113.201 170.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.537 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -57.44 -52.79 63.96 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 125.203 1.564 . . . . 0.0 108.899 179.699 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.587 HD21 ' HG2' ' A' ' 28' ' ' ARG . 38.2 mt -58.68 -37.54 76.27 Favored 'General case' 0 CA--C 1.475 -1.93 0 CA-C-O 126.939 3.257 . . . . 0.0 111.49 -171.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -52.77 -54.9 27.48 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 131.491 3.916 . . . . 0.0 109.155 173.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.4 m -59.57 -26.67 65.59 Favored 'General case' 0 CA--C 1.582 2.198 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 177.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.266 33.7 m -106.22 10.97 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.629 0 CA-C-O 122.929 1.347 . . . . 0.0 114.345 -175.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.7 p80 61.76 24.11 14.29 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 130.747 3.619 . . . . 0.0 116.619 173.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.3 mp -84.13 -25.28 29.8 Favored 'General case' 0 CA--C 1.499 -0.995 0 CA-C-N 112.974 -1.921 . . . . 0.0 108.291 173.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.285 2.3 t -112.45 157.43 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 130.508 3.523 . . . . 0.0 110.861 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -130.11 145.2 51.68 Favored 'General case' 0 N--CA 1.503 2.213 0 C-N-CA 127.674 2.389 . . . . 0.0 113.389 154.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -91.54 150.54 21.15 Favored 'General case' 0 CA--C 1.577 2.016 1 O-C-N 129.146 4.028 . . . . 0.0 114.848 165.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -154.5 152.52 30.19 Favored 'General case' 0 CA--C 1.494 -1.182 0 O-C-N 126.321 2.263 . . . . 0.0 113.303 163.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 . . . . . 0 N--CA 1.517 2.879 0 CA-C-O 115.868 -2.015 . . . . 0.0 109.74 -177.921 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 28.6 mtt . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 122.9 1.333 . . . . 0.0 108.063 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.5 mm -108.45 149.95 11.43 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.352 0 C-N-CA 130.537 3.535 . . . . 0.0 107.621 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -134.99 145.95 48.6 Favored 'General case' 0 C--N 1.382 2.021 0 O-C-N 120.124 -1.61 . . . . 0.0 112.499 -173.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . 0.381 20.0 m -158.52 174.52 14.96 Favored 'General case' 0 CA--C 1.483 -1.613 0 N-CA-C 120.916 3.673 . . . . 0.0 120.916 -163.544 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -56.1 132.27 49.82 Favored 'General case' 0 C--N 1.309 -1.187 0 C-N-CA 127.177 2.191 . . . . 0.0 113.826 166.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.07 -56.24 18.62 Favored 'General case' 0 CA--C 1.583 2.24 0 O-C-N 118.158 -2.839 . . . . 0.0 113.247 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -151.75 -179.33 7.34 Favored 'General case' 0 C--O 1.28 2.689 0 CA-C-O 113.391 -3.195 . . . . 0.0 118.144 169.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.446 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 9.3 tp -60.59 -20.58 21.38 Favored 'Isoleucine or valine' 0 C--O 1.263 1.783 0 N-CA-C 118.197 2.665 . . . . 0.0 118.197 -175.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -61.86 -45.4 93.94 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 122.067 0.937 . . . . 0.0 108.784 175.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.1 p -96.2 -28.77 3.89 Favored 'Isoleucine or valine' 0 C--O 1.175 -2.844 0 CA-C-O 115.109 -2.377 . . . . 0.0 106.467 -165.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.446 ' HB3' ' HA ' ' A' ' 85' ' ' ILE . . . -51.54 -34.31 35.87 Favored 'General case' 0 N--CA 1.507 2.421 0 CA-C-N 119.76 1.164 . . . . 0.0 113.9 154.408 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.7 m -82.36 -45.64 14.62 Favored 'General case' 0 CA--C 1.499 -0.992 0 O-C-N 119.906 -1.746 . . . . 0.0 112.462 175.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 39.7 ttp -49.81 -58.82 4.6 Favored 'General case' 0 CA--C 1.589 2.45 0 O-C-N 118.303 -2.748 . . . . 0.0 117.029 -175.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.564 ' CD1' ' HB2' ' A' ' 32' ' ' MET . 4.0 tt -63.34 -44.03 96.04 Favored 'General case' 0 N--CA 1.427 -1.593 0 O-C-N 125.723 1.889 . . . . 0.0 108.84 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -66.49 -26.94 67.41 Favored 'General case' 0 N--CA 1.514 2.726 0 O-C-N 119.963 -1.711 . . . . 0.0 112.513 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -84.98 -17.22 38.29 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-N 120.657 1.571 . . . . 0.0 113.936 172.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.437 ' C ' ' H ' ' A' ' 96' ' ' HIS . . . -84.29 -45.81 12.45 Favored 'General case' 0 CA--C 1.606 3.121 0 CA-C-O 114.882 -2.485 . . . . 0.0 110.055 176.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.46 HD11 HD22 ' B' ' 13' ' ' LEU . 0.3 OUTLIER -47.77 -8.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.392 2.425 0 C-N-CA 130.622 3.569 . . . . 0.0 114.362 160.778 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.437 ' H ' ' C ' ' A' ' 94' ' ' ALA . 0.8 OUTLIER -107.89 -18.64 13.75 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 125.871 1.982 . . . . 0.0 111.668 -170.043 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . 0.285 7.9 t60 -101.57 -18.01 16.11 Favored 'General case' 0 CA--C 1.559 1.317 0 O-C-N 118.002 -2.936 . . . . 0.0 113.837 169.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.437 ' HB1' ' HB2' ' B' ' 15' ' ' ARG . . . -44.56 -28.8 0.63 Allowed 'General case' 0 C--N 1.385 2.134 0 C-N-CA 126.658 1.983 . . . . 0.0 113.113 167.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -167.32 153.6 8.0 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 131.679 3.991 . . . . 0.0 107.484 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -122.46 71.49 37.02 Favored Pre-proline 0 CA--C 1.573 1.852 0 C-N-CA 126.213 1.805 . . . . 0.0 111.511 177.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo . . . . . 0 N--CA 1.409 -3.497 1 C-N-CA 125.999 4.466 . . . . 0.0 114.292 -165.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 10.6 p . . . . . 0 CA--C 1.587 2.384 0 CA-C-O 117.552 -1.213 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 52.64 -31.06 0.01 OUTLIER 'General case' 1 N--CA 1.562 5.145 0 C-N-CA 130.146 3.378 . . . . 0.0 119.303 -167.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.4 p -137.13 -48.95 0.61 Allowed 'General case' 0 N--CA 1.527 3.418 0 O-C-N 118.06 -2.9 . . . . 0.0 108.717 -151.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.536 HD11 HG13 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -50.66 -46.95 58.74 Favored 'General case' 0 C--O 1.204 -1.312 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 170.556 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -63.59 2.62 0.42 Allowed 'General case' 0 C--O 1.244 0.813 0 N-CA-C 118.641 2.83 . . . . 0.0 118.641 171.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.437 ' HB2' ' HB1' ' A' ' 98' ' ' ALA 0.402 3.0 mmp_? -127.62 -13.58 5.34 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 126.944 2.098 . . . . 0.0 115.039 178.067 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.57 HG12 HD12 ' B' ' 19' ' ' ILE . 3.2 m -98.93 -12.15 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 117.525 2.417 . . . . 0.0 117.525 158.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.6 p -65.61 -33.94 77.07 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 119.633 -1.917 . . . . 0.0 109.731 168.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -46.34 -45.81 17.85 Favored 'General case' 0 CA--C 1.575 1.927 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 155.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.57 HD12 HG12 ' B' ' 16' ' ' VAL . 71.3 mt -82.52 -59.7 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.069 0 O-C-N 119.566 -1.958 . . . . 0.0 111.269 -172.024 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.482 ' CG ' HD13 ' A' ' 23' ' ' LEU . 6.3 m-30 -79.14 11.97 2.53 Favored 'General case' 0 CA--C 1.595 2.696 0 C-N-CA 124.144 0.978 . . . . 0.0 111.964 -173.099 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 40.9 pttt -96.41 -44.28 7.28 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-N 119.777 1.171 . . . . 0.0 114.123 152.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.29 -21.36 48.71 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 127.1 2.16 . . . . 0.0 111.271 -177.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 16.4 mt -63.57 -0.46 0.95 Allowed 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.856 2.062 . . . . 0.0 109.748 169.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.55 41.43 0.81 Allowed Glycine 0 N--CA 1.488 2.164 0 CA-C-O 114.817 -3.213 . . . . 0.0 119.858 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -164.33 119.9 1.52 Allowed 'General case' 0 CA--C 1.568 1.662 0 O-C-N 127.774 2.691 . . . . 0.0 103.752 157.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -45.4 -32.3 2.04 Favored 'General case' 0 N--CA 1.425 -1.716 0 N-CA-C 120.291 3.441 . . . . 0.0 120.291 178.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -66.19 -43.74 85.95 Favored 'General case' 0 CA--C 1.57 1.724 1 O-C-N 115.917 -4.24 . . . . 0.0 111.41 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -52.22 -36.69 52.92 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 126.703 2.001 . . . . 0.0 113.549 168.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 40.8 mm -81.74 -38.32 15.92 Favored 'Isoleucine or valine' 0 C--O 1.251 1.18 0 CA-C-O 126.601 3.096 . . . . 0.0 112.98 -175.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . 0.278 49.2 ttt-85 -67.66 -27.05 66.53 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-N 111.173 -2.739 . . . . 0.0 112.717 172.474 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 24.0 mt -71.75 -47.81 54.82 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 CA-C-O 113.583 -3.103 . . . . 0.0 110.065 163.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' MET . . . . . 0.49 ' HB2' ' CD1' ' B' ' 91' ' ' LEU . 77.5 mtm -79.49 -35.55 40.01 Favored 'General case' 0 C--N 1.376 1.731 1 CA-C-N 126.143 4.065 . . . . 0.0 116.251 -169.556 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -26.4 -65.02 0.07 Allowed 'General case' 0 C--O 1.189 -2.113 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 139.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.588 HD13 ' N ' ' B' ' 35' ' ' LEU . 0.4 OUTLIER -65.44 -48.6 72.19 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-O 124.19 1.948 . . . . 0.0 113.969 -175.367 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.588 ' N ' HD13 ' B' ' 34' ' ' LEU . 92.0 mt -55.34 -26.9 43.7 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 117.969 -2.957 . . . . 0.0 117.115 177.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 1.9 p -62.54 -38.26 89.33 Favored 'General case' 0 CA--C 1.598 2.814 0 C-N-CA 131.193 3.797 . . . . 0.0 111.73 173.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . 0.295 5.6 m -91.49 -48.27 13.92 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.424 0 C-N-CA 131.346 3.858 . . . . 0.0 119.125 171.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 5.0 t -155.47 97.3 1.86 Allowed 'General case' 0 C--O 1.215 -0.75 0 O-C-N 124.721 1.263 . . . . 0.0 110.694 175.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -44.19 136.6 3.85 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 124.231 1.967 . . . . 0.0 109.117 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.583 ' H ' ' CD2' ' B' ' 35' ' ' LEU . . . -138.99 150.35 45.75 Favored 'General case' 0 CA--C 1.586 2.331 0 O-C-N 119.753 -1.842 . . . . 0.0 108.988 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . 0.279 7.5 t -93.69 164.24 13.23 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 126.797 2.039 . . . . 0.0 113.329 165.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 33.9 t -26.95 -70.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.258 1.505 0 N-CA-C 117.228 2.307 . . . . 0.0 117.228 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.18 -34.2 83.21 Favored Glycine 0 N--CA 1.486 2.001 0 C-N-CA 127.615 2.531 . . . . 0.0 112.405 -175.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -72.46 -48.32 41.87 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 119.398 -2.236 . . . . 0.0 114.508 170.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 68.9 mt -44.5 -56.63 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.372 0 O-C-N 118.465 -2.647 . . . . 0.0 107.436 172.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 63.4 m -56.71 -25.28 53.94 Favored 'General case' 0 N--CA 1.518 2.961 0 CA-C-N 112.828 -1.987 . . . . 0.0 116.28 -171.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -82.59 -62.15 1.69 Allowed 'General case' 0 C--O 1.282 2.809 0 C-N-CA 130.356 3.462 . . . . 0.0 108.321 171.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -68.18 -36.71 80.03 Favored 'General case' 0 N--CA 1.492 1.638 1 O-C-N 115.713 -4.367 . . . . 0.0 112.164 -167.516 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 6.1 mp -103.87 -2.46 26.21 Favored 'General case' 0 CA--C 1.609 3.244 0 C-N-CA 123.583 0.753 . . . . 0.0 109.036 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 29.9 m120 70.03 61.58 0.24 Allowed 'General case' 0 N--CA 1.467 0.392 1 O-C-N 113.606 -5.684 . . . . 0.0 111.765 167.132 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 13.9 mt -132.61 164.04 27.56 Favored 'General case' 0 N--CA 1.537 3.88 0 CA-C-O 114.667 -2.587 . . . . 0.0 115.344 171.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 89.2 p -74.28 148.01 41.83 Favored 'General case' 0 CA--C 1.494 -1.21 0 CA-C-N 121.403 1.91 . . . . 0.0 112.525 174.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -68.66 -38.48 80.45 Favored 'General case' 0 CA--C 1.475 -1.929 0 CA-C-N 120.089 1.313 . . . . 0.0 107.47 -168.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.7 p -80.45 -2.34 45.41 Favored 'General case' 0 N--CA 1.432 -1.325 0 O-C-N 120.026 -1.671 . . . . 0.0 111.231 -176.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -82.88 -24.87 33.0 Favored 'General case' 0 C--O 1.263 1.775 0 O-C-N 117.01 -3.556 . . . . 0.0 114.513 151.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . 0.379 13.3 t -86.62 -25.81 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 N-CA-C 115.308 1.596 . . . . 0.0 115.308 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 25.6 m -69.11 16.22 0.05 Allowed 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 114.168 -3.013 . . . . 0.0 117.668 157.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -132.23 -46.17 0.92 Allowed 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 116.57 -1.681 . . . . 0.0 110.107 173.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -57.12 -48.35 78.87 Favored 'General case' 0 C--O 1.185 -2.334 0 CA-C-O 126.675 3.131 . . . . 0.0 116.195 174.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.53 HD21 ' CG ' ' B' ' 80' ' ' TYR . 9.9 tp -55.38 -54.06 48.36 Favored 'General case' 0 C--O 1.255 1.376 0 CA-C-N 112.355 -2.202 . . . . 0.0 111.055 171.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -63.92 -25.79 68.3 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 128.132 2.573 . . . . 0.0 113.341 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.52 HD13 ' N ' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -77.47 -53.03 8.12 Favored 'General case' 0 CA--C 1.569 1.675 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 173.642 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.52 ' N ' HD13 ' B' ' 62' ' ' LEU . 18.2 mt -64.56 -34.67 78.78 Favored 'General case' 0 CA--C 1.569 1.689 0 O-C-N 119.104 -2.247 . . . . 0.0 110.579 -167.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 50.2 tttt -58.73 -49.92 75.81 Favored 'General case' 0 CA--C 1.579 2.082 1 CA-C-N 108.244 -4.071 . . . . 0.0 110.364 173.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 4.7 m -78.22 6.01 9.06 Favored 'General case' 0 C--N 1.277 -2.552 0 O-C-N 126.421 2.326 . . . . 0.0 114.56 173.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 1.3 m -117.3 11.52 7.3 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 O-C-N 127.013 2.696 . . . . 0.0 113.415 158.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . 0.564 4.6 m80 70.93 13.88 6.96 Favored 'General case' 0 C--O 1.208 -1.131 0 N-CA-C 117.969 2.581 . . . . 0.0 117.969 170.078 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 19.3 mt -85.64 -15.94 40.79 Favored 'General case' 0 CA--C 1.572 1.795 1 CA-C-O 128.506 4.003 . . . . 0.0 113.895 175.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.61 162.35 38.79 Favored 'Isoleucine or valine' 0 C--O 1.284 2.885 1 C-N-CA 131.872 4.069 . . . . 0.0 107.359 -171.464 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.456 ' HD2' ' HA ' ' B' ' 83' ' ' ASP . 8.7 ptmt -139.01 153.79 48.17 Favored 'General case' 0 CA--C 1.57 1.734 0 CA-C-O 124.671 2.176 . . . . 0.0 109.964 162.279 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' ALA . . . . . 0.537 ' HB2' ' CE2' ' B' ' 80' ' ' TYR . . . -98.03 127.71 44.14 Favored 'General case' 0 C--N 1.389 2.304 0 O-C-N 118.423 -2.673 . . . . 0.0 109.55 164.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 46.9 pttt . . . . . 0 N--CA 1.487 1.401 0 N-CA-C 106.549 -1.649 . . . . 0.0 106.549 169.729 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 15.4 mtt . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 120.535 0.207 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.9 mm -99.55 143.32 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.583 0 C-N-CA 128.882 2.873 . . . . 0.0 103.368 174.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' TYR . . . . . 0.537 ' CE2' ' HB2' ' B' ' 71' ' ' ALA . 46.2 m-85 -122.14 130.76 53.52 Favored 'General case' 0 C--O 1.266 1.955 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 14.9 m -143.99 154.75 43.6 Favored 'General case' 0 N--CA 1.499 2.003 0 C-N-CA 126.566 1.946 . . . . 0.0 109.296 -169.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.516 HD13 ' HB2' ' B' ' 88' ' ' ALA . 81.2 mt -62.26 151.86 35.17 Favored 'General case' 0 CA--C 1.574 1.873 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 177.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' ASP . . . . . 0.456 ' HA ' ' HD2' ' B' ' 70' ' ' LYS . 24.1 t0 -70.65 -39.77 73.44 Favored 'General case' 0 C--O 1.276 2.453 1 O-C-N 115.747 -4.346 . . . . 0.0 110.033 -164.28 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . 0.255 3.0 p30 -159.6 172.98 16.8 Favored 'General case' 1 N--CA 1.541 4.1 0 C-N-CA 126.451 1.9 . . . . 0.0 112.142 162.252 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -10.22 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.925 0 N-CA-C 120.882 3.66 . . . . 0.0 120.882 176.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -68.74 -57.47 5.6 Favored 'General case' 0 N--CA 1.414 -2.253 0 O-C-N 120.091 -1.631 . . . . 0.0 108.842 -173.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 1.4 m -79.57 -12.66 13.21 Favored 'Isoleucine or valine' 0 C--O 1.256 1.415 0 O-C-N 119.408 -2.057 . . . . 0.0 109.464 -174.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.516 ' HB2' HD13 ' B' ' 82' ' ' LEU . . . -56.78 -37.76 71.54 Favored 'General case' 0 CA--C 1.573 1.864 0 O-C-N 117.689 -3.132 . . . . 0.0 113.399 160.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 6.9 m -97.27 -31.27 12.5 Favored 'General case' 0 N--CA 1.415 -2.201 0 CA-C-O 113.399 -3.191 . . . . 0.0 108.445 -169.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -47.81 -65.26 0.6 Allowed 'General case' 0 C--O 1.279 2.625 0 O-C-N 125.629 1.83 . . . . 0.0 110.586 155.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.49 ' CD1' ' HB2' ' B' ' 32' ' ' MET . 7.0 tt -62.94 -48.41 79.02 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-O 114.88 -2.486 . . . . 0.0 109.116 -171.024 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -45.56 -41.57 10.05 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-N 123.377 2.808 . . . . 0.0 110.742 173.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -89.7 -19.77 24.41 Favored 'General case' 0 CA--C 1.578 2.021 0 CA-C-N 112.871 -1.968 . . . . 0.0 114.28 -174.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.26 -41.52 80.99 Favored 'General case' 0 C--O 1.203 -1.356 0 O-C-N 119.031 -2.293 . . . . 0.0 109.989 164.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mm -57.6 -47.94 84.3 Favored 'Isoleucine or valine' 0 CA--C 1.605 3.059 0 N-CA-C 102.851 -3.018 . . . . 0.0 102.851 167.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -68.64 -30.02 68.64 Favored 'General case' 0 C--O 1.267 1.988 0 CA-C-O 116.194 -1.86 . . . . 0.0 114.317 -166.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -77.49 -5.96 51.83 Favored 'General case' 0 C--O 1.284 2.911 0 CA-C-O 124.033 1.873 . . . . 0.0 114.157 175.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . 0.252 . . -109.57 -5.73 15.61 Favored 'General case' 0 C--O 1.199 -1.568 0 C-N-CA 126.682 1.993 . . . . 0.0 115.452 167.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -130.34 75.68 1.67 Allowed 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 127.816 2.446 . . . . 0.0 108.257 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 27.0 m170 . . . . . 0 C--N 1.316 -0.874 0 C-N-CA 117.032 -1.867 . . . . 0.0 109.43 -172.773 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.9 p . . . . . 0 C--O 1.207 -1.166 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 53.62 -52.03 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.376 1 C-N-CA 132.134 4.174 . . . . 0.0 117.465 174.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 58.3 p -125.78 -35.02 2.55 Favored 'General case' 0 C--O 1.189 -2.126 1 C-N-CA 132.385 4.274 . . . . 0.0 113.317 -175.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -57.4 -29.53 64.18 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 126.458 1.903 . . . . 0.0 114.369 -160.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -79.91 6.62 10.71 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 127.59 2.356 . . . . 0.0 112.213 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -124.32 -3.12 7.98 Favored 'General case' 0 N--CA 1.423 -1.809 0 C-N-CA 126.122 1.769 . . . . 0.0 112.079 160.228 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.605 HG12 ' CZ ' ' A' ' 20' ' ' PHE . 3.0 t -90.85 -38.53 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 CA-C-O 116.285 -1.817 . . . . 0.0 110.563 172.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.2 p -43.39 -39.63 3.3 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-N 123.066 2.666 . . . . 0.0 108.746 161.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -69.66 -22.77 63.42 Favored 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 130.094 3.358 . . . . 0.0 111.587 -169.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.38 2.2 pp -100.39 8.87 8.4 Favored 'Isoleucine or valine' 0 C--N 1.369 1.423 0 N-CA-C 116.622 2.082 . . . . 0.0 116.622 165.329 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.605 ' CZ ' HG12 ' A' ' 16' ' ' VAL . 13.5 m-85 -101.73 -35.17 9.17 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 119.085 2.995 . . . . 0.0 119.085 165.031 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -68.05 48.58 0.05 Allowed 'General case' 0 N--CA 1.49 1.529 1 C-N-CA 132.719 4.408 . . . . 0.0 112.02 152.332 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -155.55 -30.64 0.1 Allowed 'General case' 0 C--O 1.177 -2.758 1 O-C-N 131.266 5.354 . . . . 0.0 112.497 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.4 mt -86.38 -109.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 130.634 3.574 . . . . 0.0 109.839 -172.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.81 -32.53 0.01 OUTLIER Glycine 0 C--N 1.387 3.411 1 C-N-CA 131.034 4.159 . . . . 0.0 122.016 171.13 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -108.29 -174.47 2.53 Favored 'General case' 0 C--N 1.4 2.765 0 C-N-CA 124.236 1.014 . . . . 0.0 113.233 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -107.63 -65.88 1.07 Allowed 'General case' 0 N--CA 1.426 -1.667 0 C-N-CA 127.927 2.491 . . . . 0.0 112.475 -156.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -70.77 -39.17 73.39 Favored 'General case' 0 C--O 1.17 -3.085 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -169.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -25.07 -37.59 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.964 1 C-N-CA 131.944 4.098 . . . . 0.0 118.199 167.326 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.323 1.5 pt -123.43 -14.68 5.81 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.103 1 C-N-CA 132.814 4.446 . . . . 0.0 112.745 -175.532 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -60.25 -26.01 66.12 Favored 'General case' 0 N--CA 1.494 1.743 1 CA-C-O 111.354 -4.165 . . . . 0.0 108.346 153.262 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.5 mt -75.5 -48.58 30.11 Favored 'Isoleucine or valine' 0 C--N 1.348 0.527 0 N-CA-C 118.202 2.667 . . . . 0.0 118.202 163.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.478 ' HB3' HD13 ' A' ' 91' ' ' LEU 0.275 25.7 mtp -67.26 -40.06 86.18 Favored 'General case' 0 CA--C 1.599 2.848 0 O-C-N 119.793 -1.817 . . . . 0.0 115.201 179.614 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -28.55 -47.6 0.05 Allowed 'General case' 0 CA--C 1.487 -1.443 0 O-C-N 117.141 -3.475 . . . . 0.0 118.683 149.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -81.76 -30.09 32.55 Favored 'General case' 0 C--O 1.198 -1.612 0 C-N-CA 125.187 1.395 . . . . 0.0 113.744 177.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.475 HD22 ' H ' ' A' ' 40' ' ' ALA . 49.8 mt -72.87 -6.59 46.06 Favored 'General case' 0 C--O 1.176 -2.813 0 CA-C-O 123.648 1.69 . . . . 0.0 109.154 177.459 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.314 5.7 m -80.47 -15.23 57.24 Favored 'General case' 0 C--N 1.271 -2.844 0 C-N-CA 131.386 3.874 . . . . 0.0 114.586 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.6 m -138.95 -43.74 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.25 1.087 0 C-N-CA 129.169 2.988 . . . . 0.0 115.349 -167.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.2 m -155.6 78.45 1.0 Allowed 'General case' 0 C--O 1.198 -1.644 0 C-N-CA 126.891 2.076 . . . . 0.0 112.44 -179.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -67.39 146.15 54.33 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 120.315 3.45 . . . . 0.0 120.315 -166.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.475 ' H ' HD22 ' A' ' 35' ' ' LEU . . . -146.38 172.63 13.21 Favored 'General case' 0 N--CA 1.423 -1.824 0 N-CA-C 118.503 2.779 . . . . 0.0 118.503 -170.207 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.4 t -100.8 155.63 17.81 Favored 'General case' 0 C--O 1.21 -0.994 0 C-N-CA 128.665 2.786 . . . . 0.0 108.854 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.0 t -28.61 -56.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.261 1.665 0 C-N-CA 131.003 3.721 . . . . 0.0 115.146 172.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.22 -40.47 61.17 Favored Glycine 0 N--CA 1.429 -1.785 0 O-C-N 117.912 -2.992 . . . . 0.0 113.705 -176.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -70.92 -41.27 71.42 Favored 'General case' 0 N--CA 1.515 2.792 0 O-C-N 119.145 -2.386 . . . . 0.0 112.927 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.6 mt -50.19 -65.27 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.513 2.678 0 C-N-CA 128.563 2.745 . . . . 0.0 105.374 169.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.8 m -55.02 -13.46 1.14 Allowed 'General case' 0 N--CA 1.502 2.172 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 -171.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -92.68 -55.95 3.19 Favored 'General case' 0 N--CA 1.514 2.726 0 CA-C-O 125.541 2.591 . . . . 0.0 114.669 161.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -64.56 -41.73 96.12 Favored 'General case' 0 N--CA 1.399 -2.986 1 O-C-N 115.693 -4.379 . . . . 0.0 111.811 -171.242 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mp -96.31 3.86 52.7 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-N 114.369 -1.287 . . . . 0.0 109.729 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 m120 44.34 62.04 2.16 Favored 'General case' 0 C--O 1.265 1.882 0 N-CA-C 116.542 2.053 . . . . 0.0 116.542 -174.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.398 35.9 mt -95.35 -143.0 0.26 Allowed 'General case' 0 C--N 1.384 2.084 0 N-CA-C 117.981 2.586 . . . . 0.0 117.981 173.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 98.3 p -135.78 153.51 51.51 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 118.68 -2.513 . . . . 0.0 110.967 157.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -52.48 -48.53 65.86 Favored 'General case' 0 C--O 1.193 -1.872 0 CA-C-N 118.69 0.677 . . . . 0.0 109.806 171.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.84 -35.43 32.43 Favored 'General case' 0 C--N 1.369 1.448 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 174.446 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -74.43 -47.89 30.92 Favored 'General case' 0 C--O 1.269 2.088 0 C-N-CA 115.857 -2.337 . . . . 0.0 115.937 170.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.3 t -89.25 -26.92 5.35 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.227 0 N-CA-C 114.501 1.296 . . . . 0.0 114.501 -166.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.0 m -69.24 11.19 0.24 Allowed 'General case' 0 N--CA 1.501 2.105 0 CA-C-O 124.837 2.256 . . . . 0.0 112.314 161.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -124.36 -42.79 2.09 Favored 'General case' 0 CA--C 1.553 1.068 1 O-C-N 116.282 -4.011 . . . . 0.0 110.063 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -92.54 -38.45 11.92 Favored 'General case' 0 N--CA 1.53 3.546 0 N-CA-C 115.697 1.739 . . . . 0.0 115.697 -174.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 tp -56.13 -42.14 76.45 Favored 'General case' 0 C--O 1.197 -1.679 0 CA-C-O 116.047 -1.93 . . . . 0.0 110.549 160.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . 0.306 72.7 tttt -65.14 -40.97 95.14 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 124.922 1.389 . . . . 0.0 114.47 176.063 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.27 -63.33 1.34 Allowed 'General case' 0 C--O 1.192 -1.921 0 N-CA-C 103.887 -2.635 . . . . 0.0 103.887 175.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.417 ' HA ' HG22 ' A' ' 66' ' ' VAL . 33.7 mt -58.2 -33.99 69.88 Favored 'General case' 0 CA--C 1.572 1.82 0 CA-C-O 124.527 2.108 . . . . 0.0 113.229 -169.251 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -65.71 -45.65 81.95 Favored 'General case' 0 N--CA 1.509 2.493 0 CA-C-N 109.552 -3.477 . . . . 0.0 111.943 176.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.2 m -62.37 -11.47 15.73 Favored 'General case' 0 C--O 1.255 1.381 0 C-N-CA 125.983 1.713 . . . . 0.0 113.159 168.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 63' ' ' LEU 0.258 27.0 m -117.73 16.74 7.26 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.415 0 CA-C-N 120.198 1.363 . . . . 0.0 109.208 175.011 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.302 9.8 p80 47.48 25.23 0.59 Allowed 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 118.329 2.715 . . . . 0.0 118.329 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.402 ' HB3' ' HE1' ' A' ' 32' ' ' MET . 9.3 mp -82.39 -27.25 32.19 Favored 'General case' 0 C--N 1.371 1.526 0 CA-C-O 115.412 -2.233 . . . . 0.0 105.937 160.449 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.0 t -111.32 161.85 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.254 0 O-C-N 128.1 3.375 . . . . 0.0 110.858 174.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -148.06 140.55 24.45 Favored 'General case' 0 C--O 1.266 1.943 1 O-C-N 129.226 4.079 . . . . 0.0 109.152 178.072 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.719 ' HB2' ' CE2' ' A' ' 80' ' ' TYR . . . -106.3 162.97 13.21 Favored 'General case' 0 C--N 1.286 -2.18 0 C-N-CA 127.983 2.513 . . . . 0.0 114.174 172.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -140.23 149.47 42.92 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 131.468 3.907 . . . . 0.0 105.293 168.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 . . . . . 0 C--N 1.305 -1.337 0 C-N-CA 126.818 2.047 . . . . 0.0 116.278 163.649 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.382 -3.84 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 48.5 mm -122.87 115.16 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.222 0 CA-C-O 114.745 -2.55 . . . . 0.0 105.822 -171.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.719 ' CE2' ' HB2' ' A' ' 71' ' ' ALA . 77.1 m-85 -110.1 146.37 35.53 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 123.17 2.714 . . . . 0.0 111.145 -158.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.4 m -142.42 165.18 28.11 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 128.224 2.61 . . . . 0.0 113.619 -159.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.67 150.38 12.61 Favored 'General case' 0 N--CA 1.443 -0.777 0 O-C-N 119.789 -1.819 . . . . 0.0 112.821 150.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -73.15 -46.0 53.43 Favored 'General case' 0 CA--C 1.567 1.631 0 C-N-CA 118.76 -1.176 . . . . 0.0 113.464 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -160.48 179.47 8.59 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 130.922 3.689 . . . . 0.0 114.207 176.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.5 tp -64.83 -22.99 32.48 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.199 0 O-C-N 120.318 -1.489 . . . . 0.0 112.999 -170.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -73.35 -47.31 43.37 Favored 'General case' 0 N--CA 1.509 2.487 0 O-C-N 124.418 1.074 . . . . 0.0 108.821 -173.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.84 -38.2 36.31 Favored 'Isoleucine or valine' 0 C--O 1.247 0.953 0 CA-C-N 114.446 -1.252 . . . . 0.0 113.717 171.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.77 1.08 3.56 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 117.72 -3.113 . . . . 0.0 112.987 172.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.1 m -100.92 -41.23 6.9 Favored 'General case' 0 C--O 1.194 -1.844 0 CA-C-N 122.095 2.225 . . . . 0.0 108.934 165.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 29.6 ttp -65.28 -38.5 90.46 Favored 'General case' 0 C--O 1.294 3.41 0 C-N-CA 125.428 1.491 . . . . 0.0 111.008 -167.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.478 HD13 ' HB3' ' A' ' 32' ' ' MET . 7.5 tt -74.15 -47.91 32.8 Favored 'General case' 0 N--CA 1.519 3.016 0 O-C-N 117.238 -3.414 . . . . 0.0 107.687 172.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -51.09 -52.18 46.13 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 117.758 -1.577 . . . . 0.0 111.767 175.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.489 ' HB2' ' HB2' ' B' ' 90' ' ' MET . 31.9 mm-40 -82.86 -3.52 56.95 Favored 'General case' 0 C--O 1.181 -2.513 0 C-N-CA 123.49 0.716 . . . . 0.0 111.598 -168.052 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -81.17 -47.73 13.05 Favored 'General case' 0 C--N 1.366 1.311 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 153.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.608 HD11 HD22 ' B' ' 13' ' ' LEU . 0.5 OUTLIER -59.26 -18.91 15.04 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.341 0 CA-C-O 126.159 2.885 . . . . 0.0 112.189 178.464 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -31.68 28.91 Favored 'General case' 0 N--CA 1.514 2.765 0 C-N-CA 127.595 2.358 . . . . 0.0 115.579 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -82.65 -7.5 59.64 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 117.355 2.354 . . . . 0.0 117.355 168.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.31 -51.6 68.84 Favored 'General case' 0 C--O 1.197 -1.685 0 CA-C-O 115.495 -2.193 . . . . 0.0 110.796 -173.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -128.51 156.29 43.5 Favored 'General case' 0 CA--C 1.565 1.552 0 N-CA-C 118.332 2.715 . . . . 0.0 118.332 163.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -125.7 72.36 68.24 Favored Pre-proline 0 CA--C 1.601 2.906 0 CA-C-N 112.916 -1.947 . . . . 0.0 114.712 165.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo . . . . . 0 N--CA 1.509 2.431 0 N-CA-C 108.743 -1.291 . . . . 0.0 108.743 176.515 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.445 ' C ' ' H ' ' B' ' 12' ' ' THR . 12.3 p . . . . . 0 C--O 1.258 1.539 0 N-CA-C 117.533 2.42 . . . . 0.0 117.533 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 54.67 -24.85 0.01 OUTLIER 'General case' 0 CA--C 1.585 2.305 0 CA-C-O 115.766 -2.064 . . . . 0.0 114.827 -164.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.445 ' H ' ' C ' ' B' ' 10' ' ' THR . 40.8 p -122.03 -67.95 0.93 Allowed 'General case' 0 N--CA 1.424 -1.767 0 N-CA-C 105.063 -2.199 . . . . 0.0 105.063 -161.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.608 HD22 HD11 ' A' ' 95' ' ' ILE . 0.3 OUTLIER -54.96 -55.08 34.68 Favored 'General case' 1 C--O 1.134 -4.994 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -175.017 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -70.21 9.52 0.57 Allowed 'General case' 0 N--CA 1.515 2.808 0 O-C-N 124.778 1.299 . . . . 0.0 113.343 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -132.27 -11.49 3.23 Favored 'General case' 0 C--N 1.36 1.043 0 CA-C-O 114.787 -2.53 . . . . 0.0 111.853 175.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.441 HG11 HD12 ' A' ' 95' ' ' ILE 0.28 2.2 m -81.39 -14.49 12.53 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.664 0 N-CA-C 118.008 2.596 . . . . 0.0 118.008 149.925 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . 0.262 18.9 p -54.74 -43.36 72.6 Favored 'General case' 0 N--CA 1.516 2.848 0 N-CA-C 104.587 -2.375 . . . . 0.0 104.587 177.418 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -48.54 -37.88 18.95 Favored 'General case' 0 C--O 1.208 -1.115 0 C-N-CA 126.716 2.006 . . . . 0.0 115.391 168.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.438 HG23 HD21 ' B' ' 68' ' ' LEU . 19.3 mt -93.31 -44.19 13.71 Favored 'Isoleucine or valine' 0 C--O 1.267 2.009 0 CA-C-N 121.239 1.836 . . . . 0.0 108.88 -168.354 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . 0.256 1.5 m-30 -80.68 0.75 33.0 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 126.227 2.204 . . . . 0.0 108.779 -162.146 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -108.33 -27.43 9.99 Favored 'General case' 0 C--N 1.289 -2.049 0 N-CA-C 116.508 2.04 . . . . 0.0 116.508 155.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . 0.307 . . -69.03 -18.92 64.09 Favored 'General case' 0 N--CA 1.534 3.76 1 O-C-N 116.243 -4.036 . . . . 0.0 114.24 172.51 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' B' ' 19' ' ' ILE . 34.7 mt -58.25 -17.63 20.66 Favored 'General case' 0 N--CA 1.512 2.626 0 C-N-CA 126.277 1.831 . . . . 0.0 115.592 162.291 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.95 25.48 0.09 OUTLIER Glycine 0 N--CA 1.505 3.296 0 C-N-CA 129.852 3.596 . . . . 0.0 117.093 -166.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -145.13 123.99 12.68 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 123.454 3.627 . . . . 0.0 113.706 165.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -44.29 -38.39 3.84 Favored 'General case' 0 N--CA 1.513 2.724 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 171.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -56.65 -47.19 80.31 Favored 'General case' 0 N--CA 1.412 -2.365 0 CA-C-N 121.288 1.858 . . . . 0.0 111.53 171.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -66.15 -15.41 63.1 Favored 'General case' 0 N--CA 1.521 3.076 0 O-C-N 125.651 1.844 . . . . 0.0 109.149 -172.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 20.8 mm -107.28 -42.82 6.4 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.991 0 O-C-N 120.755 -1.216 . . . . 0.0 111.511 -169.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 62.7 ttt-85 -62.31 -23.28 66.65 Favored 'General case' 0 CA--C 1.586 2.35 0 CA-C-N 113.929 -1.487 . . . . 0.0 113.249 168.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.415 ' HA ' HD21 ' B' ' 49' ' ' LEU . 52.1 mt -68.69 -72.03 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.259 1.584 0 O-C-N 127.965 3.291 . . . . 0.0 110.299 162.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' MET . . . . . 0.42 ' HB3' HD13 ' B' ' 91' ' ' LEU . 45.4 mtm -65.22 -34.64 78.86 Favored 'General case' 0 C--O 1.192 -1.965 0 CA-C-N 122.253 2.297 . . . . 0.0 113.213 -169.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -33.54 -56.56 0.44 Allowed 'General case' 0 CA--C 1.602 2.954 0 CA-C-N 122.568 2.44 . . . . 0.0 114.818 153.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.516 ' C ' HD13 ' B' ' 34' ' ' LEU . 0.3 OUTLIER -67.39 -44.14 79.62 Favored 'General case' 0 CA--C 1.574 1.89 0 CA-C-O 123.27 1.51 . . . . 0.0 109.545 -177.451 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.504 ' CD2' ' H ' ' B' ' 40' ' ' ALA . 87.2 mt -66.51 -18.69 65.5 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 127.483 3.516 . . . . 0.0 116.679 -175.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' SER . . . . . 0.412 ' OG ' ' HE3' ' B' ' 92' ' ' LYS . 2.1 p -70.15 -18.75 63.23 Favored 'General case' 0 C--O 1.265 1.913 0 CA-C-N 109.288 -3.597 . . . . 0.0 114.103 169.091 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 12.3 m -119.49 -32.13 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.572 1.811 0 CA-C-N 121.495 1.952 . . . . 0.0 112.831 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -158.49 127.4 5.53 Favored 'General case' 0 CA--C 1.469 -2.15 0 CA-C-O 125.269 2.462 . . . . 0.0 113.451 154.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -61.99 152.81 31.29 Favored 'General case' 0 CA--C 1.583 2.241 0 O-C-N 116.904 -3.622 . . . . 0.0 112.632 -170.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.504 ' H ' ' CD2' ' B' ' 35' ' ' LEU . . . -160.68 166.05 29.47 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 122.688 2.495 . . . . 0.0 115.458 160.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 38.7 t -92.13 157.88 16.49 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 117.622 2.452 . . . . 0.0 117.622 175.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.541 ' HA ' HG11 ' B' ' 56' ' ' VAL . 59.4 t -24.74 -56.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.506 2.35 0 N-CA-C 117.682 2.475 . . . . 0.0 117.682 175.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.64 -52.89 42.41 Favored Glycine 0 C--O 1.186 -2.892 0 CA-C-O 117.661 -1.633 . . . . 0.0 110.731 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -77.56 -38.88 47.59 Favored 'General case' 0 N--CA 1.421 -1.89 0 N-CA-C 116.528 2.048 . . . . 0.0 116.528 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.652 HG23 HD13 ' B' ' 49' ' ' LEU . 66.5 mt -47.01 -49.9 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 CA-C-O 122.219 1.009 . . . . 0.0 108.651 170.139 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -47.11 -38.68 11.85 Favored 'General case' 0 C--O 1.278 2.596 0 CA-C-O 125.739 2.685 . . . . 0.0 115.017 173.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -79.89 -54.36 5.89 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 119.638 -1.914 . . . . 0.0 108.078 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -61.8 -21.38 64.54 Favored 'General case' 0 N--CA 1.504 2.239 0 C-N-CA 129.139 2.976 . . . . 0.0 116.925 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.652 HD13 HG23 ' B' ' 45' ' ' ILE . 7.9 mp -121.05 -0.03 10.1 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 120.879 1.672 . . . . 0.0 113.106 176.449 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . 0.258 13.0 m120 59.49 55.89 3.94 Favored 'General case' 0 CA--C 1.585 2.301 0 C-N-CA 126.763 2.025 . . . . 0.0 113.978 -171.084 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 65.4 mt -126.42 176.19 7.32 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.779 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 25.8 p -110.6 146.57 35.89 Favored 'General case' 0 C--O 1.254 1.324 0 O-C-N 120.709 -1.244 . . . . 0.0 112.769 -177.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -58.73 -32.89 69.63 Favored 'General case' 0 N--CA 1.423 -1.807 1 O-C-N 115.755 -4.34 . . . . 0.0 114.033 -174.515 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 89.9 p -63.34 -36.98 85.5 Favored 'General case' 0 N--CA 1.521 3.107 0 N-CA-C 120.283 3.438 . . . . 0.0 120.283 160.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -83.22 -31.23 27.14 Favored 'General case' 0 N--CA 1.528 3.452 0 O-C-N 120.686 -1.259 . . . . 0.0 112.248 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.541 HG11 ' HA ' ' B' ' 42' ' ' VAL . 95.7 t -74.23 -35.61 40.92 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.572 0 CA-C-O 116.79 -1.576 . . . . 0.0 111.197 170.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 68.0 m -58.16 -1.85 0.15 Allowed 'General case' 0 C--N 1.396 2.593 0 CA-C-N 124.793 3.451 . . . . 0.0 113.21 169.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -112.22 -39.24 4.5 Favored 'General case' 0 C--O 1.264 1.826 0 C-N-CA 126.703 2.001 . . . . 0.0 110.678 175.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -79.14 -50.1 11.55 Favored 'General case' 0 C--O 1.244 0.773 0 O-C-N 120.196 -1.565 . . . . 0.0 107.65 -171.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.53 HD13 HD13 ' B' ' 45' ' ' ILE . 5.7 tp -59.69 -45.27 92.62 Favored 'General case' 0 C--N 1.281 -2.379 0 CA-C-O 115.792 -2.051 . . . . 0.0 110.859 169.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -41.47 85.14 Favored 'General case' 0 C--O 1.204 -1.315 0 CA-C-N 121.612 2.005 . . . . 0.0 109.055 -176.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.611 HD13 ' C ' ' B' ' 62' ' ' LEU . 0.8 OUTLIER -60.02 -53.0 62.99 Favored 'General case' 0 C--N 1.282 -2.349 0 CA-C-N 122.044 2.202 . . . . 0.0 111.579 175.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 34.6 mt -58.41 -42.84 88.12 Favored 'General case' 0 N--CA 1.508 2.452 0 CA-C-O 124.983 2.325 . . . . 0.0 107.759 -177.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -56.24 -44.14 79.34 Favored 'General case' 0 CA--C 1.56 1.343 0 CA-C-N 112.965 -1.925 . . . . 0.0 109.99 175.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.6 m -69.85 -27.53 64.92 Favored 'General case' 0 C--O 1.268 2.041 0 CA-C-N 111.827 -2.442 . . . . 0.0 115.964 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 27.5 m -102.59 16.74 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.07 0 O-C-N 121.789 -0.57 . . . . 0.0 111.765 175.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . 0.331 6.2 m80 60.6 14.68 5.11 Favored 'General case' 0 C--O 1.199 -1.577 1 N-CA-C 123.568 4.655 . . . . 0.0 123.568 171.723 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.438 HD21 HG23 ' B' ' 19' ' ' ILE . 3.6 mt -77.95 -30.81 50.6 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-O 124.158 1.933 . . . . 0.0 110.171 171.079 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 t -108.59 155.91 9.37 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.473 0 C-N-CA 127.581 2.352 . . . . 0.0 111.097 173.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -129.68 135.75 48.88 Favored 'General case' 0 N--CA 1.527 3.397 0 C-N-CA 128.456 2.702 . . . . 0.0 109.33 172.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.86 135.0 35.07 Favored 'General case' 0 C--O 1.179 -2.639 0 CA-C-O 122.903 1.335 . . . . 0.0 108.792 149.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 52.8 pttt . . . . . 0 N--CA 1.494 1.769 0 CA-C-O 122.987 1.375 . . . . 0.0 108.664 169.584 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 41.2 mtt . . . . . 0 N--CA 1.41 -2.44 0 N-CA-C 106.549 -1.648 . . . . 0.0 106.549 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 28.3 mm -77.86 145.62 9.62 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.515 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.564 173.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -120.26 137.29 54.31 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 126.993 3.283 . . . . 0.0 108.611 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -138.86 167.89 21.02 Favored 'General case' 0 CA--C 1.569 1.703 0 C-N-CA 127.003 2.121 . . . . 0.0 111.128 -174.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.539 HD13 ' HB2' ' B' ' 88' ' ' ALA . 1.2 mp -64.26 148.24 50.63 Favored 'General case' 0 N--CA 1.429 -1.497 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 163.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -52.99 -53.4 50.52 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 116.058 1.873 . . . . 0.0 116.058 166.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 28.4 p30 -154.63 -179.7 8.23 Favored 'General case' 0 C--N 1.365 1.266 0 CA-C-O 125.893 2.758 . . . . 0.0 115.825 156.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.9 pp -54.89 -22.19 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 CA-C-O 113.822 -2.99 . . . . 0.0 114.504 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 57.9 m170 -50.96 -64.91 0.66 Allowed 'General case' 0 C--O 1.274 2.389 0 CA-C-N 123.237 2.744 . . . . 0.0 109.526 178.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.414 HG23 HD23 ' B' ' 82' ' ' LEU . 4.3 m -77.45 -16.39 14.35 Favored 'Isoleucine or valine' 0 C--N 1.405 2.985 0 C-N-CA 128.764 2.825 . . . . 0.0 109.421 -176.059 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.539 ' HB2' HD13 ' B' ' 82' ' ' LEU . . . -74.29 -29.52 61.68 Favored 'General case' 0 CA--C 1.591 2.535 1 CA-C-N 126.481 4.218 . . . . 0.0 111.164 162.642 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 31.1 m -79.66 -42.71 24.22 Favored 'General case' 0 N--CA 1.501 2.1 0 C-N-CA 126.842 2.057 . . . . 0.0 107.95 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' MET . . . . . 0.489 ' HB2' ' HB2' ' A' ' 93' ' ' GLN 0.412 3.2 tmm? -56.8 -51.79 67.58 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-O 115.657 -2.116 . . . . 0.0 114.855 163.277 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.42 HD13 ' HB3' ' B' ' 32' ' ' MET . 7.4 tt -62.7 -39.86 95.35 Favored 'General case' 0 CA--C 1.468 -2.193 0 N-CA-C 117.635 2.457 . . . . 0.0 117.635 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.412 ' HE3' ' OG ' ' B' ' 36' ' ' SER . 52.8 mttt -59.95 -44.25 94.5 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 117.574 -1.203 . . . . 0.0 111.848 177.025 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -71.71 -20.89 61.85 Favored 'General case' 0 N--CA 1.502 2.136 0 N-CA-C 118.281 2.697 . . . . 0.0 118.281 173.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' B' ' 91' ' ' LEU . . . -62.94 -50.77 69.52 Favored 'General case' 0 CA--C 1.57 1.729 1 C-N-CA 134.767 5.227 . . . . 0.0 109.866 162.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.411 HD13 HG11 ' A' ' 16' ' ' VAL . 4.0 mm -66.4 -36.3 77.0 Favored 'Isoleucine or valine' 0 N--CA 1.53 3.55 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 174.657 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -65.4 -38.76 90.93 Favored 'General case' 0 CA--C 1.575 1.919 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -176.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -71.25 -11.61 61.01 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 119.728 -0.789 . . . . 0.0 112.621 177.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -102.26 -29.85 11.44 Favored 'General case' 0 N--CA 1.51 2.571 0 C-N-CA 128.065 2.546 . . . . 0.0 108.728 -175.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -110.52 74.76 0.89 Allowed 'General case' 0 C--N 1.355 0.83 0 C-N-CA 130.928 3.691 . . . . 0.0 112.691 177.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 41.9 m170 . . . . . 0 CA--C 1.579 2.066 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 -177.244 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 . . . . . 0 CA--C 1.474 -1.959 0 CA-C-O 117.418 -1.277 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 62.6 p -148.5 -36.83 0.18 Allowed 'General case' 0 CA--C 1.482 -1.658 0 CA-C-O 111.826 -3.94 . . . . 0.0 115.459 -177.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 56.7 -40.16 0.03 OUTLIER 'General case' 0 C--O 1.265 1.882 0 C-N-CA 130.377 3.471 . . . . 0.0 118.668 -175.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 p -150.04 -18.25 0.25 Allowed 'General case' 0 C--O 1.245 0.838 0 C-N-CA 126.144 1.778 . . . . 0.0 113.236 -171.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . 0.273 1.0 OUTLIER -61.51 -35.79 78.69 Favored 'General case' 0 CA--C 1.583 2.243 0 CA-C-O 125.72 2.676 . . . . 0.0 116.48 -163.903 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -82.5 -18.71 40.63 Favored 'General case' 0 N--CA 1.512 2.655 0 CA-C-N 109.199 -3.637 . . . . 0.0 108.531 -176.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -74.44 -9.7 58.85 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-O 114.874 -2.489 . . . . 0.0 111.583 161.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.469 HG22 ' CB ' ' B' ' 98' ' ' ALA . 48.5 t -94.06 -33.22 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.314 0 CA-C-N 121.376 1.898 . . . . 0.0 113.334 173.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.47 ' HA ' ' CD2' ' A' ' 20' ' ' PHE . 66.9 p -57.32 -28.98 63.56 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 118.888 -2.383 . . . . 0.0 111.578 158.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -68.39 -11.66 59.96 Favored 'General case' 0 N--CA 1.407 -2.624 0 CA-C-N 122.189 2.268 . . . . 0.0 114.374 173.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.391 0.0 OUTLIER -102.06 -4.36 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.916 0 CA-C-N 120.869 1.668 . . . . 0.0 114.092 161.771 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.47 ' CD2' ' HA ' ' A' ' 17' ' ' THR . 17.4 m-85 -85.68 -36.19 20.41 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 170.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -71.95 60.81 0.4 Allowed 'General case' 0 C--N 1.284 -2.267 0 C-N-CA 131.336 3.855 . . . . 0.0 108.57 160.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -168.69 -14.03 0.02 OUTLIER 'General case' 0 CA--C 1.583 2.224 1 CA-C-N 107.563 -4.38 . . . . 0.0 108.89 174.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 20' ' ' PHE . 66.2 mt -104.96 -131.83 0.3 Allowed 'General case' 0 C--O 1.265 1.917 1 C-N-CA 132.105 4.162 . . . . 0.0 110.041 -172.814 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.26 -0.44 53.88 Favored Glycine 1 N--CA 1.539 5.554 0 N-CA-C 119.868 2.707 . . . . 0.0 119.868 164.243 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -144.92 161.45 39.29 Favored 'General case' 0 C--O 1.174 -2.877 0 C-N-CA 125.379 1.471 . . . . 0.0 107.7 -173.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -81.83 -75.73 0.28 Allowed 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 117.698 -1.144 . . . . 0.0 113.764 -170.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -65.9 -39.09 90.28 Favored 'General case' 0 CA--C 1.578 2.04 0 CA-C-O 114.477 -2.678 . . . . 0.0 110.365 -170.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -22.6 -41.26 0.0 OUTLIER 'General case' 0 CA--C 1.562 1.437 0 C-N-CA 127.671 2.388 . . . . 0.0 115.173 164.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.6 pt -114.58 -11.01 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.248 0 C-N-CA 125.39 1.476 . . . . 0.0 112.925 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.8 ttp85 -71.87 -29.62 64.57 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 127.497 2.319 . . . . 0.0 112.771 163.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.3 mt -58.41 -52.89 53.75 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.095 0 C-N-CA 129.501 3.12 . . . . 0.0 108.289 164.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.567 ' HG2' HD12 ' A' ' 35' ' ' LEU . 70.5 mtm -79.54 -41.06 28.12 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 114.445 -1.252 . . . . 0.0 113.16 -165.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -22.2 -64.82 0.03 OUTLIER 'General case' 0 N--CA 1.532 3.667 0 CA-C-N 120.943 1.701 . . . . 0.0 115.361 144.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.3 -49.65 68.7 Favored 'General case' 0 CA--C 1.607 3.167 0 CA-C-N 118.074 0.397 . . . . 0.0 111.983 177.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.567 HD12 ' HG2' ' A' ' 32' ' ' MET . 24.1 mt -50.73 -26.1 5.16 Favored 'General case' 0 C--O 1.188 -2.164 0 O-C-N 117.303 -3.373 . . . . 0.0 109.876 171.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.3 1.4 m -71.84 -0.79 12.1 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 117.717 2.488 . . . . 0.0 117.717 172.203 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.0 m -130.56 -39.07 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.377 1.798 0 C-N-CA 126.741 2.016 . . . . 0.0 114.644 161.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.02 147.54 47.99 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 116.145 -1.884 . . . . 0.0 109.818 175.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -88.83 125.0 34.71 Favored 'General case' 0 N--CA 1.496 1.829 1 C-N-CA 133.944 4.897 . . . . 0.0 115.023 -178.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -141.37 154.12 45.46 Favored 'General case' 0 CA--C 1.573 1.84 0 C-N-CA 116.534 -2.066 . . . . 0.0 110.49 -175.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.0 t -115.58 159.71 20.93 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 115.089 -2.386 . . . . 0.0 117.115 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.5 t -8.73 -64.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 C-N-CA 128.713 2.805 . . . . 0.0 117.018 173.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.6 -45.75 74.46 Favored Glycine 0 C--N 1.381 3.034 0 C-N-CA 117.56 -2.257 . . . . 0.0 113.909 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -74.41 -31.4 62.31 Favored 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 117.112 2.264 . . . . 0.0 117.112 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.0 mt -57.71 -56.21 16.88 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.615 0 CA-C-N 121.897 2.135 . . . . 0.0 107.138 166.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.2 m -51.79 -27.29 11.8 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 125.18 1.392 . . . . 0.0 113.492 174.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -82.19 -59.3 2.6 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 118.735 -2.478 . . . . 0.0 111.223 167.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -68.34 -34.83 76.8 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 127.069 2.148 . . . . 0.0 112.302 -170.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 mp -100.36 5.03 44.34 Favored 'General case' 0 CA--C 1.582 2.189 0 CA-C-N 124.901 3.5 . . . . 0.0 112.987 176.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.1 m120 48.49 62.42 2.56 Favored 'General case' 0 CA--C 1.58 2.119 0 C-N-CA 129.207 3.003 . . . . 0.0 111.945 -170.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.6 mt -108.85 -152.46 0.49 Allowed 'General case' 0 N--CA 1.502 2.135 0 C-N-CA 126.18 1.792 . . . . 0.0 110.926 -172.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.4 p -146.58 154.15 41.17 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.644 -1.285 . . . . 0.0 112.833 174.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -81.96 -34.92 29.53 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-N 120.796 1.635 . . . . 0.0 114.642 -163.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 p -48.85 -50.99 32.11 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 119.977 -1.702 . . . . 0.0 115.406 160.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -63.8 -50.65 68.16 Favored 'General case' 0 C--O 1.175 -2.846 0 N-CA-C 119.732 3.234 . . . . 0.0 119.732 172.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.6 t -65.86 -36.91 78.65 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.973 0 O-C-N 119.192 -2.193 . . . . 0.0 112.107 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.7 m -60.57 6.88 0.03 OUTLIER 'General case' 0 N--CA 1.515 2.816 0 CA-C-O 114.411 -2.709 . . . . 0.0 112.754 165.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -122.98 -34.94 3.09 Favored 'General case' 0 C--O 1.285 2.958 0 CA-C-N 122.265 2.302 . . . . 0.0 107.893 168.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -86.32 -45.13 11.52 Favored 'General case' 0 CA--C 1.566 1.578 0 CA-C-O 115.426 -2.226 . . . . 0.0 114.373 -175.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.5 tp -54.22 -38.11 65.34 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.331 1.453 . . . . 0.0 113.847 166.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -70.44 -52.02 25.16 Favored 'General case' 0 C--O 1.171 -3.053 0 CA-C-O 113.559 -3.115 . . . . 0.0 110.804 171.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.424 ' C ' HD13 ' A' ' 62' ' ' LEU . 1.7 tm? -49.96 -54.76 17.84 Favored 'General case' 0 N--CA 1.509 2.488 1 CA-C-N 126.213 4.097 . . . . 0.0 111.188 172.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . 0.267 21.2 mt -65.81 -36.83 84.62 Favored 'General case' 0 N--CA 1.422 -1.825 0 C-N-CA 123.007 0.523 . . . . 0.0 111.724 -170.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -54.52 -54.53 39.94 Favored 'General case' 0 N--CA 1.51 2.527 0 O-C-N 128.909 3.881 . . . . 0.0 112.335 168.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.3 4.96 7.76 Favored 'General case' 0 N--CA 1.504 2.245 0 N-CA-C 118.724 2.861 . . . . 0.0 118.724 173.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.5 m -124.27 18.14 4.63 Favored 'Isoleucine or valine' 0 C--O 1.262 1.723 0 O-C-N 126.734 2.521 . . . . 0.0 115.079 166.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.353 4.0 p80 58.3 25.92 13.33 Favored 'General case' 0 C--N 1.357 0.916 0 CA-C-O 112.683 -3.532 . . . . 0.0 113.436 171.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.0 mp -89.0 -12.98 39.9 Favored 'General case' 0 N--CA 1.418 -2.069 0 CA-C-N 124.362 3.256 . . . . 0.0 112.384 160.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 t -125.65 150.41 30.95 Favored 'Isoleucine or valine' 0 C--O 1.179 -2.638 0 CA-C-N 113.668 -1.605 . . . . 0.0 110.267 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -140.1 128.34 22.49 Favored 'General case' 0 CA--C 1.606 3.124 0 C-N-CA 130.803 3.641 . . . . 0.0 110.187 169.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.06 163.77 23.92 Favored 'General case' 0 CA--C 1.566 1.579 0 CA-C-O 124.694 2.188 . . . . 0.0 108.296 175.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -143.69 125.06 14.69 Favored 'General case' 0 N--CA 1.482 1.153 1 O-C-N 115.115 -4.741 . . . . 0.0 113.192 162.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -75.0 134.15 41.51 Favored 'General case' 0 CA--C 1.474 -1.958 0 C-N-CA 126.684 1.994 . . . . 0.0 108.272 -172.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -132.7 79.89 1.87 Allowed 'General case' 0 CA--C 1.573 1.839 0 C-N-CA 129.816 3.246 . . . . 0.0 107.882 173.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 53.3 -118.65 8.72 Favored Glycine 0 CA--C 1.545 1.946 0 C-N-CA 125.511 1.529 . . . . 0.0 113.499 -167.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -75.3 -7.74 54.77 Favored 'General case' 0 CA--C 1.582 2.177 0 C-N-CA 125.978 1.711 . . . . 0.0 115.159 175.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.3 m -100.87 154.18 18.88 Favored 'General case' 0 CA--C 1.463 -2.377 0 C-N-CA 128.514 2.726 . . . . 0.0 112.87 172.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 14.4 mtt -127.03 125.61 41.7 Favored 'General case' 0 CA--C 1.563 1.47 0 O-C-N 127.611 3.07 . . . . 0.0 106.756 161.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.5 mm -71.85 149.41 9.35 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.267 0 C-N-CA 126.536 1.934 . . . . 0.0 107.608 160.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -134.52 159.71 40.3 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 172.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.2 m -148.19 166.15 28.76 Favored 'General case' 0 C--O 1.267 2.01 0 C-N-CA 127.755 2.422 . . . . 0.0 109.802 -163.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.32 161.12 0.99 Allowed 'General case' 0 C--N 1.38 1.916 0 CA-C-N 120.957 1.708 . . . . 0.0 111.682 151.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -75.41 -48.1 24.42 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 114.53 1.308 . . . . 0.0 114.53 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.402 ' OD1' ' HB2' ' A' ' 86' ' ' HIS . 13.6 p30 -150.43 -175.99 5.31 Favored 'General case' 0 CA--C 1.582 2.186 0 CA-C-O 124.791 2.234 . . . . 0.0 111.707 164.017 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.2 tp -71.38 -14.0 17.39 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.476 0 C-N-CA 128.031 2.532 . . . . 0.0 108.449 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.402 ' HB2' ' OD1' ' A' ' 84' ' ' ASP . 23.5 m170 -65.11 -58.5 5.89 Favored 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 125.204 1.402 . . . . 0.0 112.165 169.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.449 HG12 ' H ' ' A' ' 87' ' ' VAL 0.277 0.5 OUTLIER -65.83 -40.68 88.33 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.21 0 C-N-CA 126.755 2.022 . . . . 0.0 113.49 176.736 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.48 -29.7 17.32 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 162.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . 0.281 36.6 m -84.89 -34.43 22.58 Favored 'General case' 0 CA--C 1.604 3.044 0 O-C-N 119.157 -2.214 . . . . 0.0 116.395 175.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.1 ttt -53.3 -63.99 0.97 Allowed 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 126.463 2.352 . . . . 0.0 111.943 167.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.486 ' CD1' ' HB2' ' A' ' 32' ' ' MET 0.265 4.1 tt -68.05 -37.1 80.93 Favored 'General case' 0 CA--C 1.575 1.916 0 CA-C-O 115.304 -2.284 . . . . 0.0 110.523 -171.882 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -73.07 -33.44 65.65 Favored 'General case' 0 N--CA 1.529 3.494 0 CA-C-N 123.428 2.831 . . . . 0.0 109.0 177.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -73.6 -17.24 61.2 Favored 'General case' 0 C--O 1.188 -2.147 0 CA-C-N 122.524 2.42 . . . . 0.0 115.764 172.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.407 ' C ' ' H ' ' A' ' 96' ' ' HIS . . . -79.09 -45.66 19.62 Favored 'General case' 0 CA--C 1.569 1.711 0 CA-C-O 123.695 1.712 . . . . 0.0 108.743 177.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.548 HD11 HD22 ' B' ' 13' ' ' LEU . 0.4 OUTLIER -67.37 11.75 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 C-N-CA 130.044 3.338 . . . . 0.0 108.785 172.373 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.407 ' H ' ' C ' ' A' ' 94' ' ' ALA . 2.2 m-70 -120.1 -27.35 5.33 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 116.455 -3.903 . . . . 0.0 114.594 169.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -92.95 -11.86 32.25 Favored 'General case' 0 CA--C 1.496 -1.123 0 O-C-N 119.492 -2.005 . . . . 0.0 111.535 174.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.52 ' HB2' ' CG1' ' B' ' 16' ' ' VAL . . . -61.16 -44.03 97.96 Favored 'General case' 0 CA--C 1.607 3.159 0 CA-C-N 120.026 1.284 . . . . 0.0 111.525 173.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 41.3 p-10 -136.04 155.53 50.08 Favored 'General case' 0 C--O 1.191 -2.013 0 O-C-N 117.667 -3.146 . . . . 0.0 107.727 170.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -132.81 69.69 79.17 Favored Pre-proline 0 C--O 1.19 -2.049 0 C-N-CA 126.357 1.863 . . . . 0.0 113.47 -175.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -92.06 163.83 3.2 Favored 'Trans proline' 0 C--N 1.362 1.273 0 O-C-N 117.945 -1.66 . . . . 0.0 115.805 -170.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -63.35 148.97 46.91 Favored 'General case' 0 C--N 1.397 2.636 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 171.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 CA--C 1.472 -2.021 0 O-C-N 128.481 3.613 . . . . 0.0 110.198 176.924 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 . . . . . 0 CA--C 1.569 1.707 0 CA-C-O 122.43 1.11 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 30.8 p -147.21 -19.79 0.39 Allowed 'General case' 0 N--CA 1.531 3.603 0 C-N-CA 129.809 3.244 . . . . 0.0 118.776 -169.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 63.77 -53.79 0.23 Allowed 'General case' 0 C--N 1.289 -2.025 1 C-N-CA 133.153 4.581 . . . . 0.0 114.42 -176.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.2 p -95.58 -71.72 0.66 Allowed 'General case' 0 CA--C 1.563 1.477 0 C-N-CA 128.663 2.785 . . . . 0.0 107.293 -155.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.548 HD22 HD11 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -32.87 -56.67 0.38 Allowed 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 128.896 2.878 . . . . 0.0 112.716 168.472 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -69.61 0.89 4.72 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 126.183 1.793 . . . . 0.0 113.725 -173.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.505 ' HB2' ' HB1' ' A' ' 98' ' ' ALA . 2.3 mmp_? -124.48 -21.57 4.86 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 128.709 2.804 . . . . 0.0 112.613 173.203 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.52 ' CG1' ' HB2' ' A' ' 98' ' ' ALA . 17.0 m -95.08 -14.0 8.11 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.467 0 CA-C-N 123.499 2.863 . . . . 0.0 115.031 173.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.3 p -43.79 -45.92 7.49 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 122.495 2.407 . . . . 0.0 112.554 165.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -52.23 -39.45 60.31 Favored 'General case' 0 C--N 1.287 -2.142 0 CA-C-O 115.644 -2.122 . . . . 0.0 112.285 169.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 20.8 mt -72.45 -49.02 44.8 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.667 0 CA-C-O 115.97 -1.967 . . . . 0.0 110.186 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -88.81 -4.89 58.38 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 120.807 1.639 . . . . 0.0 112.064 -153.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 pttm -88.43 -39.7 14.06 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 153.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.22 -15.26 22.9 Favored 'General case' 0 N--CA 1.529 3.525 0 O-C-N 118.667 -2.52 . . . . 0.0 115.012 175.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 54.5 mt -65.59 -24.66 67.13 Favored 'General case' 0 C--N 1.383 2.046 0 CA-C-O 123.534 1.635 . . . . 0.0 111.699 177.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.27 43.63 0.1 OUTLIER Glycine 0 N--CA 1.502 3.058 1 N-CA-C 123.956 4.342 . . . . 0.0 123.956 -161.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -155.04 138.07 15.53 Favored 'General case' 0 C--N 1.359 1.019 1 CA-C-O 129.442 4.449 . . . . 0.0 107.094 167.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -69.84 -26.28 64.14 Favored 'General case' 0 N--CA 1.411 -2.4 0 O-C-N 118.365 -2.709 . . . . 0.0 105.837 -166.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -72.54 -51.02 21.69 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 127.658 2.383 . . . . 0.0 107.73 -173.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -46.56 -51.59 15.24 Favored 'General case' 0 CA--C 1.496 -1.121 0 C-N-CA 128.38 2.672 . . . . 0.0 112.076 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 mm -88.11 -31.45 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 CA-C-N 113.121 -1.854 . . . . 0.0 108.909 -165.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 46.1 ttt-85 -58.31 -26.97 63.66 Favored 'General case' 0 C--N 1.399 2.749 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.694 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.442 ' O ' ' HG ' ' B' ' 35' ' ' LEU . 5.9 mt -72.83 -38.18 56.65 Favored 'Isoleucine or valine' 0 C--O 1.288 3.101 0 O-C-N 126.527 2.392 . . . . 0.0 111.942 174.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' MET . . . . . 0.427 ' HB2' HD11 ' B' ' 91' ' ' LEU . 62.9 mtm -84.96 -42.1 15.25 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 118.773 2.879 . . . . 0.0 118.773 -178.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.428 ' H ' ' CD2' ' B' ' 91' ' ' LEU . 1.5 tm-20 -5.01 -70.88 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.73 0 N-CA-C 116.683 2.105 . . . . 0.0 116.683 130.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.434 HD13 ' N ' ' B' ' 35' ' ' LEU . 0.2 OUTLIER -72.78 -53.36 11.77 Favored 'General case' 0 N--CA 1.429 -1.516 0 O-C-N 118.313 -2.742 . . . . 0.0 110.259 -175.104 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' B' ' 31' ' ' ILE . 85.1 mt -47.07 -38.56 11.44 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 116.968 -3.582 . . . . 0.0 113.764 177.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' SER . . . . . 0.415 ' HB3' HD11 ' B' ' 82' ' ' LEU . 3.4 p -63.1 -17.19 62.03 Favored 'General case' 0 C--N 1.276 -2.625 0 C-N-CA 130.679 3.592 . . . . 0.0 114.787 176.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 23.6 m -114.86 -30.63 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 N-CA-C 116.915 2.191 . . . . 0.0 116.915 165.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 49.8 m -159.71 131.36 6.17 Favored 'General case' 0 N--CA 1.392 -3.325 0 C-N-CA 127.887 2.475 . . . . 0.0 112.734 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . 0.269 15.5 mt-10 -84.37 140.82 31.31 Favored 'General case' 0 N--CA 1.514 2.767 0 O-C-N 118.155 -2.841 . . . . 0.0 111.767 -171.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -139.8 154.52 47.39 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-N 110.422 -3.081 . . . . 0.0 111.575 168.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . 0.294 21.9 t -90.77 159.25 16.41 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 116.187 -1.864 . . . . 0.0 111.747 170.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 52.7 t -19.12 -58.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.363 1.194 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 168.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.79 -38.31 76.31 Favored Glycine 0 CA--C 1.553 2.426 0 C-N-CA 117.653 -2.213 . . . . 0.0 117.101 -176.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -72.46 -35.72 68.31 Favored 'General case' 0 C--O 1.162 -3.518 0 O-C-N 118.213 -2.934 . . . . 0.0 112.84 174.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.71 -45.43 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.685 0 C-N-CA 130.004 3.322 . . . . 0.0 103.47 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 65.5 m -59.1 -40.68 86.06 Favored 'General case' 0 N--CA 1.499 1.988 0 CA-C-O 118.047 -0.978 . . . . 0.0 111.358 175.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -70.85 -58.41 3.64 Favored 'General case' 0 N--CA 1.504 2.236 0 N-CA-C 115.841 1.793 . . . . 0.0 115.841 172.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -48.91 -41.28 33.16 Favored 'General case' 0 C--N 1.257 -3.421 0 C-N-CA 126.643 1.977 . . . . 0.0 112.101 173.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.434 HD21 ' HA ' ' B' ' 31' ' ' ILE . 6.1 mp -117.71 7.54 12.55 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.636 -1.29 . . . . 0.0 111.042 -166.258 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . 0.251 33.9 m120 66.71 30.12 8.3 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 125.749 1.62 . . . . 0.0 114.25 174.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 18.4 mt -106.66 157.82 17.42 Favored 'General case' 0 N--CA 1.531 3.622 0 CA-C-N 121.343 1.883 . . . . 0.0 106.709 -172.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -73.58 144.19 46.11 Favored 'General case' 0 CA--C 1.577 1.995 0 C-N-CA 124.903 1.281 . . . . 0.0 108.797 175.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -67.29 -28.5 68.06 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.577 -0.702 . . . . 0.0 111.469 172.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 74.1 m -67.2 -46.06 75.01 Favored 'General case' 0 N--CA 1.508 2.428 0 CA-C-O 124.399 2.047 . . . . 0.0 110.088 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -64.84 -55.6 18.52 Favored 'General case' 0 CA--C 1.496 -1.106 0 C-N-CA 127.252 2.221 . . . . 0.0 110.478 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 58.7 t -64.04 -35.83 74.85 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 CA-C-N 121.675 2.034 . . . . 0.0 108.131 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.1 m -51.37 -5.18 0.03 OUTLIER 'General case' 0 C--O 1.261 1.702 0 CA-C-N 123.419 2.827 . . . . 0.0 115.656 167.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -128.55 -33.43 2.09 Favored 'General case' 1 CA--C 1.669 5.556 0 C-N-CA 126.64 1.976 . . . . 0.0 113.277 174.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -66.98 -40.08 87.33 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 121.257 1.844 . . . . 0.0 113.857 168.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.0 tp -66.25 -38.07 87.01 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.409 -0.807 . . . . 0.0 110.119 177.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -72.5 -34.41 67.61 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 126.179 2.895 . . . . 0.0 115.355 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.539 HD13 ' C ' ' B' ' 62' ' ' LEU 0.266 1.5 tm? -63.16 -48.73 77.19 Favored 'General case' 0 CA--C 1.599 2.836 0 O-C-N 118.724 -2.485 . . . . 0.0 111.403 167.906 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.469 ' N ' HD13 ' B' ' 62' ' ' LEU . 68.2 mt -59.84 -37.66 79.88 Favored 'General case' 0 C--O 1.264 1.834 0 O-C-N 119.209 -2.182 . . . . 0.0 113.113 -178.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -58.02 -55.6 32.78 Favored 'General case' 0 C--O 1.178 -2.669 0 CA-C-N 110.415 -3.084 . . . . 0.0 108.951 171.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.8 m -64.11 -10.03 20.08 Favored 'General case' 0 CA--C 1.583 2.244 0 C-N-CA 126.536 1.935 . . . . 0.0 115.095 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . 0.256 3.6 m -107.8 6.5 9.61 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.656 0 CA-C-O 123.942 1.83 . . . . 0.0 111.2 163.078 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . 0.266 85.2 m-70 64.4 18.0 11.09 Favored 'General case' 0 C--O 1.264 1.839 0 C-N-CA 126.086 1.754 . . . . 0.0 115.183 166.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 4.5 mp -72.36 -24.02 61.21 Favored 'General case' 0 N--CA 1.53 3.527 0 CA-C-O 118.103 -0.951 . . . . 0.0 109.738 158.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 t -116.58 151.98 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.824 0 CA-C-O 123.233 1.492 . . . . 0.0 108.75 -174.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . 0.311 0.1 OUTLIER -137.92 134.56 35.12 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 112.71 -2.041 . . . . 0.0 115.699 165.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.89 148.42 27.7 Favored 'General case' 0 CA--C 1.582 2.203 0 C-N-CA 126.268 1.827 . . . . 0.0 108.857 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -154.71 144.93 21.94 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 115.929 1.826 . . . . 0.0 115.929 161.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -68.32 149.42 49.44 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-O 117.534 -1.222 . . . . 0.0 109.013 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -161.27 107.44 1.39 Allowed 'General case' 0 C--O 1.26 1.649 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 174.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.3 -86.18 0.14 Allowed Glycine 0 CA--C 1.557 2.709 0 CA-C-O 117.544 -1.698 . . . . 0.0 110.732 168.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -140.05 24.23 2.36 Favored 'General case' 0 CA--C 1.602 2.966 0 CA-C-O 125.265 2.459 . . . . 0.0 115.881 175.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 23.9 p -139.96 -178.21 5.34 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 118.573 -2.579 . . . . 0.0 116.226 159.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 22.4 ttm -106.48 107.1 17.94 Favored 'General case' 0 C--O 1.257 1.456 0 C-N-CA 125.896 1.678 . . . . 0.0 110.039 169.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 31.9 mm -73.31 148.38 8.89 Favored 'Isoleucine or valine' 1 N--CA 1.539 4.003 0 O-C-N 127.593 3.058 . . . . 0.0 107.388 175.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -122.42 150.87 41.88 Favored 'General case' 0 CA--C 1.465 -2.303 0 O-C-N 117.094 -3.504 . . . . 0.0 112.534 168.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 60.6 p -158.85 -179.81 8.4 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 117.967 -2.958 . . . . 0.0 111.372 -166.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' B' ' 36' ' ' SER . 21.0 mt -85.47 137.66 32.75 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 117.043 -3.536 . . . . 0.0 110.572 173.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -51.85 -56.04 16.38 Favored 'General case' 0 C--O 1.182 -2.499 0 CA-C-O 114.104 -2.855 . . . . 0.0 115.309 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 18.5 p30 -156.87 173.8 16.45 Favored 'General case' 0 CA--C 1.6 2.884 0 C-N-CA 126.842 2.057 . . . . 0.0 111.587 166.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 2.8 pp -58.36 -16.63 7.92 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.038 0 O-C-N 126.526 2.391 . . . . 0.0 114.76 -171.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -56.2 -68.74 0.18 Allowed 'General case' 0 C--O 1.189 -2.086 0 CA-C-O 125.511 2.577 . . . . 0.0 109.81 -177.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . 0.307 0.9 OUTLIER -76.81 -16.06 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 N-CA-C 119.381 3.104 . . . . 0.0 119.381 -177.145 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.01 -35.41 80.13 Favored 'General case' 0 C--N 1.308 -1.209 0 C-N-CA 124.439 1.095 . . . . 0.0 111.953 162.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 10.4 m -81.49 -31.91 32.68 Favored 'General case' 0 CA--C 1.574 1.883 0 C-N-CA 128.472 2.709 . . . . 0.0 111.25 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' MET . . . . . 0.417 ' C ' ' SD ' ' B' ' 90' ' ' MET . 13.4 tmm? -61.17 -52.7 63.74 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 118.648 -2.532 . . . . 0.0 109.839 169.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.428 ' CD2' ' H ' ' B' ' 33' ' ' GLU . 6.8 tt -68.89 -40.25 79.32 Favored 'General case' 0 C--N 1.392 2.438 0 C-N-CA 126.64 1.976 . . . . 0.0 110.467 -174.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -52.51 -40.65 62.65 Favored 'General case' 0 N--CA 1.52 3.068 0 O-C-N 120.197 -1.564 . . . . 0.0 113.917 167.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -84.9 -17.78 36.76 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 -170.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.34 -39.56 74.63 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 167.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.417 HD12 HG21 ' A' ' 16' ' ' VAL . 1.3 mp -66.18 -34.26 69.01 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.606 0 C-N-CA 127.668 2.387 . . . . 0.0 108.485 170.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -78.95 -39.34 34.78 Favored 'General case' 0 C--O 1.177 -2.721 0 O-C-N 119.828 -1.795 . . . . 0.0 107.73 -171.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . 0.261 3.7 t60 -62.86 -32.53 73.78 Favored 'General case' 0 N--CA 1.423 -1.803 0 CA-C-O 124.742 2.21 . . . . 0.0 114.334 174.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.469 ' CB ' HG22 ' A' ' 16' ' ' VAL . . . -86.27 -9.73 55.91 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 119.353 3.094 . . . . 0.0 119.353 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -131.19 47.73 2.5 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -55.44 128.94 68.8 Favored Pre-proline 0 CA--C 1.564 1.483 0 CA-C-N 120.456 1.48 . . . . 0.0 112.196 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . 0.259 35.4 Cg_exo -77.9 -3.02 13.12 Favored 'Trans proline' 0 N--CA 1.443 -1.448 0 CA-C-O 112.055 -3.394 . . . . 0.0 116.514 173.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -167.83 112.83 0.68 Allowed 'General case' 0 N--CA 1.537 3.888 1 O-C-N 130.987 5.179 . . . . 0.0 110.076 -176.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 . . . . . 0 CA--C 1.498 -1.057 0 CA-C-N 112.539 -2.118 . . . . 0.0 114.795 165.518 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 . . . . . 0 N--CA 1.502 2.166 0 CA-C-O 118.024 -0.988 . . . . 0.0 109.198 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 p -147.03 -19.2 0.4 Allowed 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 118.403 2.742 . . . . 0.0 118.403 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 46.11 -38.76 0.0 OUTLIER 'General case' 0 C--N 1.38 1.924 1 C-N-CA 134.893 5.277 . . . . 0.0 114.666 173.102 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.4 p -151.12 -20.57 0.21 Allowed 'General case' 0 CA--C 1.593 2.599 0 O-C-N 116.73 -3.731 . . . . 0.0 111.999 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -53.01 -26.59 15.99 Favored 'General case' 0 N--CA 1.525 3.278 1 N-CA-C 122.555 4.28 . . . . 0.0 122.555 -170.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.294 22.9 mt-10 -70.21 -28.18 65.08 Favored 'General case' 0 C--O 1.276 2.498 0 O-C-N 117.459 -3.275 . . . . 0.0 116.391 164.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -72.66 -17.51 61.64 Favored 'General case' 0 N--CA 1.413 -2.299 0 CA-C-O 115.055 -2.402 . . . . 0.0 110.835 171.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.45 HG12 ' CE2' ' A' ' 20' ' ' PHE . 61.2 t -90.43 -46.23 14.86 Favored 'Isoleucine or valine' 0 CA--C 1.471 -2.084 0 C-N-CA 126.779 2.032 . . . . 0.0 113.323 176.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.4 p -56.0 -27.81 54.56 Favored 'General case' 0 N--CA 1.518 2.942 0 CA-C-N 119.492 1.042 . . . . 0.0 111.382 165.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -56.15 -22.51 29.07 Favored 'General case' 0 N--CA 1.506 2.346 1 CA-C-O 111.401 -4.142 . . . . 0.0 114.539 166.208 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.274 2.6 pp -113.18 26.79 3.23 Favored 'Isoleucine or valine' 0 C--O 1.275 2.429 0 O-C-N 126.38 2.3 . . . . 0.0 113.091 168.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.45 ' CE2' HG12 ' A' ' 16' ' ' VAL 0.307 12.4 m-85 -113.75 -28.66 7.36 Favored 'General case' 0 CA--C 1.585 2.29 0 CA-C-N 123.117 2.689 . . . . 0.0 111.413 167.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -57.17 43.91 0.0 OUTLIER 'General case' 1 CA--C 1.644 4.588 1 C-N-CA 134.792 5.237 . . . . 0.0 110.205 148.909 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -166.17 -8.18 0.02 OUTLIER 'General case' 0 C--O 1.279 2.608 0 C-N-CA 128.734 2.814 . . . . 0.0 107.644 -170.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.7 mt -107.54 -127.76 0.26 Allowed 'General case' 0 C--O 1.262 1.712 0 C-N-CA 128.354 2.662 . . . . 0.0 104.668 -174.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.3 15.52 70.24 Favored Glycine 0 C--N 1.385 3.287 0 CA-C-O 117.898 -1.501 . . . . 0.0 114.68 161.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -149.7 161.86 41.37 Favored 'General case' 0 CA--C 1.585 2.316 0 CA-C-N 121.303 2.551 . . . . 0.0 107.549 -176.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -91.52 -65.74 0.98 Allowed 'General case' 0 C--N 1.353 0.729 0 CA-C-N 125.649 3.841 . . . . 0.0 115.436 -175.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -54.02 -50.91 65.58 Favored 'General case' 0 N--CA 1.413 -2.31 0 CA-C-N 124.644 3.384 . . . . 0.0 109.469 -177.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -12.91 -54.82 0.0 OUTLIER 'General case' 0 C--N 1.394 2.507 0 C-N-CA 131.465 3.906 . . . . 0.0 117.062 160.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.2 pt -98.23 -11.22 8.65 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.856 0 O-C-N 126.97 2.669 . . . . 0.0 114.905 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.495 ' HA ' HD21 ' B' ' 13' ' ' LEU . 24.7 ttp85 -84.75 -19.86 31.98 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-O 126.197 2.903 . . . . 0.0 110.731 176.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.6 mt -72.95 -34.9 47.43 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.288 0 CA-C-N 111.958 -2.383 . . . . 0.0 108.559 167.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.438 ' HB3' ' CD1' ' A' ' 91' ' ' LEU . 55.3 mtm -90.58 -37.98 13.46 Favored 'General case' 0 C--O 1.199 -1.567 0 O-C-N 118.186 -2.821 . . . . 0.0 115.843 -170.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -30.63 -37.21 0.02 OUTLIER 'General case' 0 N--CA 1.536 3.868 0 C-N-CA 131.533 3.933 . . . . 0.0 112.259 138.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.374 0.5 OUTLIER -87.49 -54.25 4.38 Favored 'General case' 0 C--O 1.253 1.259 0 CA-C-O 113.69 -3.052 . . . . 0.0 113.444 -179.116 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.414 ' CD2' ' H ' ' A' ' 40' ' ' ALA 0.29 26.2 mt -52.58 -19.14 2.11 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-N 122.7 2.5 . . . . 0.0 116.05 170.074 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.254 56.3 m -64.73 -24.25 67.51 Favored 'General case' 0 N--CA 1.433 -1.306 0 C-N-CA 127.009 2.124 . . . . 0.0 114.174 173.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.0 m -123.02 -24.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 N-CA-C 116.246 1.943 . . . . 0.0 116.246 171.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.2 m -144.68 111.19 5.65 Favored 'General case' 0 C--O 1.178 -2.67 0 O-C-N 119.695 -1.878 . . . . 0.0 106.583 -178.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -75.39 114.82 14.37 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 114.735 -2.555 . . . . 0.0 112.523 -172.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.414 ' H ' ' CD2' ' A' ' 35' ' ' LEU . . . -136.55 144.32 44.15 Favored 'General case' 0 N--CA 1.432 -1.334 1 CA-C-N 126.801 4.364 . . . . 0.0 112.552 -167.291 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.9 t -96.22 160.51 14.4 Favored 'General case' 0 CA--C 1.58 2.123 1 O-C-N 114.764 -4.96 . . . . 0.0 112.74 -178.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.434 HG13 ' HB ' ' A' ' 56' ' ' VAL 0.252 18.0 t -18.06 -59.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.395 -3.22 0 N-CA-C 121.132 3.753 . . . . 0.0 121.132 171.214 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.47 -52.52 47.32 Favored Glycine 0 CA--C 1.562 3.007 0 CA-C-O 127.08 3.6 . . . . 0.0 114.926 175.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -77.97 -28.62 49.44 Favored 'General case' 0 CA--C 1.577 1.999 0 CA-C-O 115.09 -2.386 . . . . 0.0 112.143 -170.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.61 HG23 HD13 ' A' ' 49' ' ' LEU . 55.9 mt -58.18 -57.3 11.3 Favored 'Isoleucine or valine' 0 C--O 1.262 1.721 0 CA-C-N 120.571 1.532 . . . . 0.0 114.509 159.214 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.1 m -49.06 -40.49 31.7 Favored 'General case' 0 C--O 1.188 -2.174 0 CA-C-O 124.356 2.027 . . . . 0.0 114.849 172.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -67.01 -55.13 15.73 Favored 'General case' 0 C--N 1.365 1.27 0 O-C-N 117.373 -3.329 . . . . 0.0 114.658 170.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . 0.486 48.9 tt0 -65.47 -28.92 69.56 Favored 'General case' 0 N--CA 1.505 2.287 0 N-CA-C 119.316 3.08 . . . . 0.0 119.316 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.61 HD13 HG23 ' A' ' 45' ' ' ILE . 4.5 mp -119.64 4.77 11.07 Favored 'General case' 0 C--O 1.207 -1.132 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 -174.207 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.4 m120 58.47 60.09 2.72 Favored 'General case' 0 N--CA 1.423 -1.821 0 O-C-N 117.128 -3.483 . . . . 0.0 112.121 171.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.6 mt -119.45 -132.16 0.31 Allowed 'General case' 0 CA--C 1.6 2.9 0 CA-C-N 111.484 -2.598 . . . . 0.0 110.457 173.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.9 p -158.58 143.46 16.15 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 129.496 3.118 . . . . 0.0 109.783 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -68.12 -43.07 79.22 Favored 'General case' 0 CA--C 1.61 3.282 0 C-N-CA 126.539 1.936 . . . . 0.0 108.699 -171.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.0 p -57.89 -39.22 77.36 Favored 'General case' 1 N--CA 1.555 4.81 0 CA-C-O 122.969 1.366 . . . . 0.0 111.728 177.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -79.7 -45.29 19.24 Favored 'General case' 0 CA--C 1.569 1.709 0 CA-C-N 113.293 -1.776 . . . . 0.0 106.67 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.434 ' HB ' HG13 ' A' ' 42' ' ' VAL . 22.8 t -72.36 -21.49 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 1 O-C-N 115.529 -4.482 . . . . 0.0 117.506 173.025 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.9 m -63.04 6.39 0.11 Allowed 'General case' 0 N--CA 1.437 -1.077 1 O-C-N 112.765 -6.209 . . . . 0.0 115.509 156.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -123.91 -32.21 3.3 Favored 'General case' 0 C--O 1.246 0.884 0 C-N-CA 128.039 2.536 . . . . 0.0 113.73 167.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -87.9 -48.46 7.79 Favored 'General case' 0 N--CA 1.531 3.587 0 N-CA-C 106.144 -1.799 . . . . 0.0 106.144 -170.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.525 HD21 ' CD1' ' A' ' 80' ' ' TYR . 18.5 tp -60.37 -39.35 86.91 Favored 'General case' 0 N--CA 1.42 -1.927 0 O-C-N 125.946 2.029 . . . . 0.0 111.157 173.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -60.59 -46.18 91.2 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 172.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.595 HD13 ' N ' ' A' ' 63' ' ' LEU . 1.5 tm? -60.27 -58.61 7.77 Favored 'General case' 0 CA--C 1.604 3.052 0 O-C-N 118.628 -2.545 . . . . 0.0 110.619 174.455 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.595 ' N ' HD13 ' A' ' 62' ' ' LEU . 65.4 mt -52.37 -37.12 55.49 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 117.954 -1.499 . . . . 0.0 112.539 -178.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.5 ttpp -51.99 -45.21 64.42 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 125.253 2.454 . . . . 0.0 112.419 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.3 m -72.97 -18.38 61.37 Favored 'General case' 0 N--CA 1.506 2.349 0 C-N-CA 129.985 3.314 . . . . 0.0 119.756 -176.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.314 29.8 m -96.96 2.81 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.258 0 CA-C-N 111.763 -2.471 . . . . 0.0 115.882 169.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.303 11.5 p80 65.37 24.23 12.04 Favored 'General case' 0 C--N 1.372 1.552 0 C-N-CA 130.221 3.408 . . . . 0.0 114.607 172.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.2 mp -81.81 -18.47 43.91 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 124.662 2.172 . . . . 0.0 111.604 168.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 t -128.74 150.52 34.48 Favored 'Isoleucine or valine' 0 C--N 1.376 1.735 0 C-N-CA 128.229 2.612 . . . . 0.0 110.676 -169.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -138.8 135.6 34.79 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 128.85 2.86 . . . . 0.0 116.673 170.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.416 ' HB2' ' CE2' ' A' ' 80' ' ' TYR . . . -84.11 144.2 29.19 Favored 'General case' 0 CA--C 1.582 2.208 0 CA-C-O 125.596 2.617 . . . . 0.0 116.242 165.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.7 tttt -138.85 131.87 29.59 Favored 'General case' 0 N--CA 1.513 2.688 1 O-C-N 115.264 -4.648 . . . . 0.0 110.694 173.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 69.2 ttt-85 -80.76 139.55 36.01 Favored 'General case' 0 CA--C 1.572 1.796 0 C-N-CA 125.791 1.636 . . . . 0.0 113.016 -174.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -130.44 92.23 3.23 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 103.579 -2.748 . . . . 0.0 103.579 157.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 59.08 -124.5 36.87 Favored Glycine 0 C--O 1.295 3.932 0 O-C-N 117.755 -3.091 . . . . 0.0 111.695 172.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -70.1 5.73 1.53 Allowed 'General case' 0 CA--C 1.594 2.654 0 C-N-CA 124.548 1.139 . . . . 0.0 113.355 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.5 m -149.26 154.29 38.82 Favored 'General case' 0 CA--C 1.618 3.559 0 O-C-N 119.447 -2.033 . . . . 0.0 111.391 -159.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.2 mmt -125.8 147.53 49.39 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-N 121.405 1.912 . . . . 0.0 106.183 -172.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.4 mm -112.35 152.74 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 C-N-CA 126.235 1.814 . . . . 0.0 109.703 168.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.525 ' CD1' HD21 ' A' ' 60' ' ' LEU . 50.1 m-85 -129.6 146.59 51.39 Favored 'General case' 0 C--O 1.187 -2.232 0 CA-C-O 125.29 2.471 . . . . 0.0 112.786 -176.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.9 m -138.6 168.61 19.42 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 129.161 2.985 . . . . 0.0 109.906 -173.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -65.01 156.05 32.64 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 115.956 -1.973 . . . . 0.0 113.341 161.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -66.38 -48.13 71.15 Favored 'General case' 0 N--CA 1.529 3.502 0 CA-C-N 121.475 1.943 . . . . 0.0 113.276 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -154.45 -177.15 6.26 Favored 'General case' 0 CA--C 1.566 1.568 0 O-C-N 120.493 -1.38 . . . . 0.0 110.621 161.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.462 ' HA ' ' HB3' ' A' ' 88' ' ' ALA 0.276 8.8 tp -62.57 -23.14 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.134 0 C-N-CA 127.093 2.157 . . . . 0.0 113.729 -176.38 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -65.4 -47.34 76.64 Favored 'General case' 0 C--O 1.187 -2.218 0 CA-C-N 122.554 2.434 . . . . 0.0 113.559 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.75 -49.23 52.58 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.06 0 C-N-CA 128.6 2.76 . . . . 0.0 110.324 172.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.462 ' HB3' ' HA ' ' A' ' 85' ' ' ILE . . . -44.39 -49.4 9.67 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 119.566 -1.959 . . . . 0.0 112.19 169.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 59.7 m -69.18 -37.03 77.95 Favored 'General case' 0 N--CA 1.504 2.244 0 CA-C-N 112.907 -1.951 . . . . 0.0 114.123 176.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 36.7 ttp -60.17 -45.84 91.74 Favored 'General case' 0 C--O 1.27 2.169 0 C-N-CA 126.968 2.107 . . . . 0.0 109.396 171.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' A' ' 32' ' ' MET . 5.4 tt -67.81 -56.41 9.29 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 123.544 2.884 . . . . 0.0 105.584 176.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -54.32 -48.0 71.83 Favored 'General case' 0 C--N 1.264 -3.14 0 O-C-N 125.9 2.0 . . . . 0.0 112.659 -169.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -71.11 -11.62 61.05 Favored 'General case' 0 CA--C 1.578 2.047 0 CA-C-O 122.551 1.167 . . . . 0.0 114.061 175.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -85.54 -46.32 10.94 Favored 'General case' 0 C--N 1.379 1.891 0 N-CA-C 106.27 -1.752 . . . . 0.0 106.27 172.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.602 HD12 HG11 ' B' ' 16' ' ' VAL 0.35 1.1 mp -52.34 -7.43 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.507 2.402 0 C-N-CA 129.319 3.048 . . . . 0.0 113.939 165.081 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -109.55 -8.18 15.03 Favored 'General case' 0 CA--C 1.583 2.241 0 C-N-CA 130.131 3.372 . . . . 0.0 116.045 173.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -116.85 4.16 12.92 Favored 'General case' 0 CA--C 1.579 2.077 0 CA-C-N 124.168 3.167 . . . . 0.0 112.647 172.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.56 -30.85 71.25 Favored 'General case' 0 CA--C 1.496 -1.096 0 N-CA-C 117.598 2.444 . . . . 0.0 117.598 166.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . 0.251 14.7 p-10 -146.79 164.45 32.77 Favored 'General case' 0 C--O 1.274 2.383 0 C-N-CA 129.701 3.2 . . . . 0.0 109.546 177.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 70.4 m80 -149.03 57.29 2.84 Favored Pre-proline 0 C--O 1.187 -2.219 0 O-C-N 117.417 -3.302 . . . . 0.0 113.593 -172.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -83.18 163.87 15.18 Favored 'Trans proline' 0 C--N 1.385 2.46 0 C-N-CA 124.23 3.287 . . . . 0.0 117.525 -172.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 61.4 tttt -64.29 144.76 56.91 Favored 'General case' 0 N--CA 1.433 -1.32 0 O-C-N 119.207 -2.183 . . . . 0.0 109.554 177.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 C--O 1.27 2.149 1 CA-C-O 111.237 -4.221 . . . . 0.0 110.291 175.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 8.1 m120 . . . . . 0 CA--C 1.481 -1.711 0 CA-C-O 117.561 -1.209 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.8 p -138.68 5.58 2.42 Favored 'General case' 0 N--CA 1.52 3.042 0 CA-C-N 122.859 2.572 . . . . 0.0 114.645 -177.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 49.98 -19.15 0.0 OUTLIER 'General case' 0 N--CA 1.538 3.96 0 N-CA-C 120.204 3.409 . . . . 0.0 120.204 -168.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 77.8 p -140.79 -66.39 0.43 Allowed 'General case' 0 C--N 1.365 1.253 0 O-C-N 117.354 -3.341 . . . . 0.0 108.718 -162.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.496 HD22 HD11 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -35.1 -66.15 0.19 Allowed 'General case' 0 CA--C 1.573 1.862 0 O-C-N 127.837 3.211 . . . . 0.0 117.857 167.189 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -65.48 20.42 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.669 0 N-CA-C 118.731 2.863 . . . . 0.0 118.731 -177.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -144.49 -15.44 0.56 Allowed 'General case' 0 C--O 1.261 1.688 1 C-N-CA 132.075 4.15 . . . . 0.0 115.639 -177.02 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.602 HG11 HD12 ' A' ' 95' ' ' ILE . 5.1 m -85.65 -20.9 7.9 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.13 0 O-C-N 118.045 -2.909 . . . . 0.0 116.725 158.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.6 p -57.69 -28.16 63.56 Favored 'General case' 0 N--CA 1.435 -1.192 0 O-C-N 119.828 -1.795 . . . . 0.0 112.864 172.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -70.19 -33.32 71.58 Favored 'General case' 0 C--O 1.201 -1.456 0 O-C-N 118.423 -2.673 . . . . 0.0 114.339 169.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.49 HD13 HG21 ' B' ' 19' ' ' ILE . 25.8 mt -71.2 -63.07 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.407 -2.58 0 O-C-N 123.605 0.565 . . . . 0.0 110.215 178.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -23.81 66.03 Favored 'General case' 0 N--CA 1.416 -2.126 0 C-N-CA 131.088 3.755 . . . . 0.0 113.168 -161.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -92.56 -26.39 17.92 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 128.27 3.481 . . . . 0.0 113.288 166.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.58 -10.95 59.76 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 124.585 3.357 . . . . 0.0 113.297 174.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 28.0 mt -63.9 -7.97 9.79 Favored 'General case' 0 C--N 1.382 1.987 0 C-N-CA 127.031 2.133 . . . . 0.0 112.088 173.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.3 29.6 1.42 Allowed Glycine 0 CA--C 1.569 3.44 0 C-N-CA 125.376 1.465 . . . . 0.0 115.982 -164.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -142.57 130.52 21.78 Favored 'General case' 0 N--CA 1.513 2.692 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 162.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.5 ' C ' ' CD1' ' B' ' 26' ' ' TYR . 0.6 OUTLIER -69.74 -15.5 63.15 Favored 'General case' 0 CA--C 1.563 1.474 0 C-N-CA 117.143 -1.823 . . . . 0.0 109.677 -166.073 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -75.45 -43.69 48.24 Favored 'General case' 0 C--N 1.378 1.812 1 O-C-N 115.21 -4.681 . . . . 0.0 114.948 175.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -45.74 -31.53 2.04 Favored 'General case' 0 C--N 1.373 1.588 1 O-C-N 129.74 4.4 . . . . 0.0 111.771 163.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 29.9 mm -94.82 -41.93 12.35 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.981 0 CA-C-O 116.579 -1.677 . . . . 0.0 109.395 -173.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -55.62 -29.08 58.56 Favored 'General case' 1 N--CA 1.55 4.573 0 O-C-N 126.529 2.393 . . . . 0.0 115.68 176.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 13.6 mt -59.82 -67.78 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.169 -3.154 0 O-C-N 128.925 3.891 . . . . 0.0 109.695 173.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' MET . . . . . 0.588 ' HB2' HD21 ' B' ' 82' ' ' LEU 0.466 0.0 OUTLIER -80.07 -28.12 39.23 Favored 'General case' 0 CA--C 1.568 1.646 0 CA-C-O 115.866 -2.016 . . . . 0.0 114.93 -170.465 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.451 ' HA ' HD22 ' B' ' 91' ' ' LEU . 3.6 tm-20 -35.92 -41.63 0.24 Allowed 'General case' 0 CA--C 1.613 3.399 0 CA-C-N 120.136 1.335 . . . . 0.0 114.413 143.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.501 ' C ' HD13 ' B' ' 34' ' ' LEU 0.302 1.7 tm? -83.92 -43.02 15.69 Favored 'General case' 0 N--CA 1.523 3.175 0 CA-C-N 123.855 3.025 . . . . 0.0 111.94 -178.069 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 17.3 mt -49.17 -27.06 3.23 Favored 'General case' 0 C--N 1.391 2.409 0 N-CA-C 116.231 1.937 . . . . 0.0 116.231 167.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 2.1 p -65.11 -21.49 66.81 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 131.175 3.79 . . . . 0.0 113.231 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 m -122.55 -38.5 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.472 -2.045 0 CA-C-O 116.807 -1.568 . . . . 0.0 112.535 177.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 19.8 m -149.47 145.49 26.93 Favored 'General case' 0 N--CA 1.506 2.363 0 CA-C-O 125.607 2.623 . . . . 0.0 110.5 169.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -83.07 112.75 20.08 Favored 'General case' 0 C--O 1.263 1.768 0 O-C-N 116.81 -3.681 . . . . 0.0 110.39 -167.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . 0.279 . . -118.9 138.29 52.87 Favored 'General case' 0 CA--C 1.582 2.176 0 CA-C-N 121.962 2.164 . . . . 0.0 106.907 -177.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 13.5 t -75.61 145.41 41.14 Favored 'General case' 0 CA--C 1.46 -2.509 0 C-N-CA 129.706 3.203 . . . . 0.0 113.604 159.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 63.2 t -9.22 -46.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.514 2.761 0 N-CA-C 119.456 3.132 . . . . 0.0 119.456 167.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.92 -49.63 7.54 Favored Glycine 0 C--N 1.343 0.921 0 O-C-N 120.826 -1.171 . . . . 0.0 112.276 -178.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.271 30.5 t-80 -73.56 -22.96 59.92 Favored 'General case' 0 C--N 1.364 1.2 0 CA-C-O 117.785 -1.103 . . . . 0.0 113.145 177.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.454 HG23 HD13 ' B' ' 49' ' ' LEU . 65.7 mt -65.72 -52.88 44.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 O-C-N 127.514 3.008 . . . . 0.0 106.088 166.118 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 49.7 m -56.83 1.65 0.03 OUTLIER 'General case' 0 C--O 1.284 2.872 0 N-CA-C 119.256 3.058 . . . . 0.0 119.256 170.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -113.4 -51.67 2.8 Favored 'General case' 0 C--N 1.38 1.903 0 C-N-CA 127.527 2.331 . . . . 0.0 114.616 172.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . 0.343 80.8 mm-40 -68.63 -27.98 66.5 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 117.955 -2.965 . . . . 0.0 115.202 170.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.454 HD13 HG23 ' B' ' 45' ' ' ILE 0.277 1.0 OUTLIER -96.64 -13.8 22.58 Favored 'General case' 0 C--O 1.184 -2.369 0 C-N-CA 126.595 1.958 . . . . 0.0 116.069 165.556 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 19.0 m120 49.3 50.36 18.18 Favored 'General case' 1 N--CA 1.553 4.683 0 N-CA-C 117.761 2.504 . . . . 0.0 117.761 -166.168 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 60.7 mt -92.06 168.05 11.65 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 114.34 -2.743 . . . . 0.0 111.915 163.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 33.6 t -84.43 138.4 32.85 Favored 'General case' 0 N--CA 1.433 -1.324 0 CA-C-N 121.106 1.775 . . . . 0.0 114.492 161.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -61.41 -21.46 64.11 Favored 'General case' 0 CA--C 1.555 1.136 0 O-C-N 127.816 3.197 . . . . 0.0 109.441 -176.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 14.9 m -74.76 -31.29 61.74 Favored 'General case' 0 CA--C 1.608 3.205 0 O-C-N 118.515 -2.615 . . . . 0.0 112.358 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -90.5 -34.27 15.63 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 125.649 1.843 . . . . 0.0 112.786 -175.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 50.6 t -68.28 -30.6 48.33 Favored 'Isoleucine or valine' 0 C--O 1.257 1.492 0 CA-C-O 112.855 -3.45 . . . . 0.0 112.031 169.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 14.9 m -63.83 12.31 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 158.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -126.23 -35.34 2.43 Favored 'General case' 0 CA--C 1.59 2.518 0 O-C-N 119.004 -2.31 . . . . 0.0 107.899 173.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -91.64 -43.56 9.55 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-O 115.552 -2.166 . . . . 0.0 111.715 -166.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.425 ' HA ' HD12 ' B' ' 60' ' ' LEU . 8.1 tp -49.94 -47.3 52.54 Favored 'General case' 1 CA--C 1.638 4.345 0 O-C-N 126.507 2.38 . . . . 0.0 113.556 157.797 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -71.88 -36.95 70.22 Favored 'General case' 0 CA--C 1.574 1.886 0 O-C-N 119.778 -1.826 . . . . 0.0 112.758 -176.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.542 HD13 ' N ' ' B' ' 63' ' ' LEU . 1.7 tm? -49.32 -61.68 1.96 Allowed 'General case' 0 CA--C 1.508 -0.645 0 O-C-N 119.029 -2.295 . . . . 0.0 110.632 158.127 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.542 ' N ' HD13 ' B' ' 62' ' ' LEU . 21.3 mt -66.84 -33.01 74.67 Favored 'General case' 0 N--CA 1.513 2.704 0 CA-C-O 123.673 1.702 . . . . 0.0 110.28 -166.224 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -51.64 -50.05 61.06 Favored 'General case' 0 C--O 1.26 1.638 0 CA-C-N 114.164 -1.38 . . . . 0.0 110.284 164.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.6 m -82.19 5.13 20.81 Favored 'General case' 0 C--O 1.265 1.905 0 C-N-CA 125.997 1.719 . . . . 0.0 115.192 -173.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 14.8 m -127.95 29.09 1.87 Allowed 'Isoleucine or valine' 0 C--O 1.177 -2.756 0 CA-C-O 116.728 -1.606 . . . . 0.0 110.829 161.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 54.83 11.28 0.45 Allowed 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 129.458 3.103 . . . . 0.0 117.979 162.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.543 ' HB3' ' SD ' ' B' ' 32' ' ' MET 0.3 11.6 mt -74.24 -36.1 63.88 Favored 'General case' 0 C--O 1.271 2.19 0 O-C-N 118.594 -2.566 . . . . 0.0 106.88 163.817 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.1 t -104.4 152.0 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 127.616 2.366 . . . . 0.0 115.136 175.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -127.66 156.48 42.27 Favored 'General case' 0 C--N 1.358 0.937 0 O-C-N 125.479 1.737 . . . . 0.0 112.618 157.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' ALA . . . . . 0.423 ' HB2' ' CE2' ' B' ' 80' ' ' TYR . . . -91.19 151.24 21.03 Favored 'General case' 0 CA--C 1.565 1.519 0 CA-C-O 114.272 -2.775 . . . . 0.0 112.186 163.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 32.4 pttt -151.25 158.0 43.32 Favored 'General case' 0 CA--C 1.588 2.431 0 CA-C-N 123.291 2.769 . . . . 0.0 108.768 166.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -104.19 138.28 40.9 Favored 'General case' 0 CA--C 1.501 -0.905 1 CA-C-N 126.145 4.066 . . . . 0.0 108.118 -174.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -144.52 109.07 4.88 Favored 'General case' 0 N--CA 1.4 -2.942 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.18 -98.77 0.21 Allowed Glycine 0 CA--C 1.479 -2.166 0 CA-C-O 124.462 2.145 . . . . 0.0 112.468 172.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -112.29 11.93 20.19 Favored 'General case' 0 N--CA 1.504 2.231 0 C-N-CA 128.417 2.687 . . . . 0.0 116.766 -170.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 77.2 p -161.28 172.36 16.76 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 120.028 -1.67 . . . . 0.0 111.127 168.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.422 ' SD ' ' HB1' ' B' ' 71' ' ' ALA . 4.2 ttt -104.82 119.21 38.47 Favored 'General case' 0 N--CA 1.404 -2.745 0 O-C-N 118.202 -2.812 . . . . 0.0 108.051 175.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 9.8 mm -92.78 155.1 3.14 Favored 'Isoleucine or valine' 0 C--N 1.424 3.808 0 C-N-CA 130.76 3.624 . . . . 0.0 110.759 -173.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' TYR . . . . . 0.423 ' CE2' ' HB2' ' B' ' 71' ' ' ALA . 73.8 m-85 -134.43 141.77 46.91 Favored 'General case' 0 C--O 1.219 -0.505 0 O-C-N 118.972 -2.33 . . . . 0.0 111.151 -175.088 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 6.1 p -137.27 163.07 31.83 Favored 'General case' 0 C--O 1.253 1.259 0 C-N-CA 129.148 2.979 . . . . 0.0 106.39 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.588 HD21 ' HB2' ' B' ' 32' ' ' MET . 5.0 mt -56.34 129.85 42.17 Favored 'General case' 0 CA--C 1.59 2.49 0 C-N-CA 126.703 2.001 . . . . 0.0 106.759 159.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -49.82 -55.05 15.62 Favored 'General case' 0 CA--C 1.588 2.413 0 O-C-N 119.848 -1.782 . . . . 0.0 114.442 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 27.5 p30 -140.8 -178.85 5.73 Favored 'General case' 0 N--CA 1.512 2.649 0 O-C-N 119.192 -2.192 . . . . 0.0 113.683 161.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.2 pp -61.54 -17.17 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.986 0 C-N-CA 126.717 2.007 . . . . 0.0 111.577 -177.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -66.49 -62.76 1.29 Allowed 'General case' 0 C--O 1.196 -1.743 0 O-C-N 125.91 2.006 . . . . 0.0 107.213 -173.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.462 HG21 ' HA ' ' B' ' 68' ' ' LEU . 1.8 m -74.07 -26.37 20.93 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.405 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.622 -175.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.417 ' CB ' HD13 ' B' ' 82' ' ' LEU . . . -53.35 -47.27 69.53 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.445 -1.409 . . . . 0.0 109.747 170.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 88.3 m -70.21 -31.38 68.79 Favored 'General case' 0 N--CA 1.432 -1.36 0 CA-C-O 127.2 3.381 . . . . 0.0 112.495 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 11.5 tmm? -66.81 -44.5 81.04 Favored 'General case' 0 CA--C 1.6 2.886 0 O-C-N 117.853 -3.029 . . . . 0.0 110.805 176.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.451 HD22 ' HA ' ' B' ' 33' ' ' GLU 0.283 4.5 tt -62.49 -52.47 63.37 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-N 112.699 -2.046 . . . . 0.0 109.358 -178.789 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -54.71 -43.29 72.44 Favored 'General case' 0 CA--C 1.562 1.427 0 C-N-CA 126.768 2.027 . . . . 0.0 111.006 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -76.73 -13.77 60.0 Favored 'General case' 0 N--CA 1.435 -1.2 0 O-C-N 117.395 -3.316 . . . . 0.0 116.159 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.65 -41.59 37.76 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 124.847 1.259 . . . . 0.0 112.166 162.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.29 -35.65 59.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 CA-C-N 123.061 2.664 . . . . 0.0 107.257 168.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.32 -34.62 42.12 Favored 'General case' 0 N--CA 1.504 2.273 0 C-N-CA 128.329 2.652 . . . . 0.0 114.848 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -78.14 -17.6 56.68 Favored 'General case' 0 C--O 1.275 2.418 0 CA-C-N 122.691 2.496 . . . . 0.0 115.015 166.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -80.3 -23.86 40.39 Favored 'General case' 0 N--CA 1.413 -2.295 0 C-N-CA 128.277 2.631 . . . . 0.0 113.631 168.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -134.91 94.56 3.17 Favored 'General case' 0 CA--C 1.567 1.633 1 C-N-CA 131.755 4.022 . . . . 0.0 118.281 173.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 45.2 m170 -88.96 148.82 42.06 Favored Pre-proline 0 N--CA 1.494 1.759 0 CA-C-N 110.088 -3.233 . . . . 0.0 107.025 176.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -70.59 -48.12 0.59 Allowed 'Trans proline' 0 CA--C 1.549 1.245 0 C-N-CA 124.356 3.371 . . . . 0.0 111.284 -176.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -140.42 151.86 45.24 Favored 'General case' 0 CA--C 1.586 2.337 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 CA--C 1.567 1.632 0 N-CA-C 116.95 2.204 . . . . 0.0 116.95 -168.043 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.5 m120 . . . . . 0 N--CA 1.416 -2.151 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.6 p -145.79 -35.23 0.3 Allowed 'General case' 0 C--N 1.282 -2.334 0 CA-C-O 117.549 -1.215 . . . . 0.0 110.156 -174.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.297 1.9 m-20 57.81 -38.58 0.05 OUTLIER 'General case' 0 C--N 1.365 1.272 0 N-CA-C 120.828 3.64 . . . . 0.0 120.828 -171.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 p -164.73 -33.36 0.03 OUTLIER 'General case' 0 N--CA 1.524 3.258 0 CA-C-N 111.764 -2.471 . . . . 0.0 111.089 -165.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.96 -39.7 20.11 Favored 'General case' 1 CA--C 1.633 4.149 0 C-N-CA 127.869 2.468 . . . . 0.0 117.062 -165.3 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -90.7 0.96 57.24 Favored 'General case' 0 CA--C 1.565 1.537 0 N-CA-C 116.18 1.918 . . . . 0.0 116.18 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -82.71 -23.59 34.01 Favored 'General case' 0 N--CA 1.516 2.864 0 C-N-CA 124.643 1.177 . . . . 0.0 111.542 150.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.402 HG13 HD11 ' A' ' 19' ' ' ILE . 82.7 t -84.59 -41.17 15.85 Favored 'Isoleucine or valine' 0 C--O 1.254 1.307 0 O-C-N 118.797 -2.439 . . . . 0.0 110.786 -175.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.9 p -53.05 -32.7 48.33 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 166.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -62.5 -17.25 59.27 Favored 'General case' 0 CA--C 1.585 2.312 0 C-N-CA 130.123 3.369 . . . . 0.0 110.222 173.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.402 HD11 HG13 ' A' ' 16' ' ' VAL 0.33 2.8 pp -106.36 6.98 9.93 Favored 'Isoleucine or valine' 0 C--N 1.383 2.028 0 N-CA-C 115.084 1.512 . . . . 0.0 115.084 165.892 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -103.79 -28.63 11.52 Favored 'General case' 0 C--N 1.385 2.119 0 O-C-N 118.913 -2.367 . . . . 0.0 110.137 167.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -61.51 54.21 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.076 3 O-C-N 114.184 -5.322 . . . . 0.0 108.882 144.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.433 ' H ' ' H ' ' A' ' 23' ' ' LEU 0.338 . . -174.62 -8.86 0.01 OUTLIER 'General case' 1 N--CA 1.542 4.135 0 CA-C-N 110.2 -3.182 . . . . 0.0 110.173 173.764 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.433 ' H ' ' H ' ' A' ' 22' ' ' ALA . 68.8 mt -97.04 -115.24 0.13 Allowed 'General case' 0 C--O 1.269 2.098 0 C-N-CA 124.861 1.264 . . . . 0.0 109.532 174.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.07 -5.01 0.01 OUTLIER Glycine 0 C--N 1.371 2.524 1 N-CA-C 124.231 4.452 . . . . 0.0 124.231 177.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -134.57 164.36 27.66 Favored 'General case' 0 CA--C 1.619 3.607 0 O-C-N 126.522 1.954 . . . . 0.0 109.912 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . 0.377 31.2 t80 -81.85 -78.62 0.19 Allowed 'General case' 0 C--N 1.345 0.398 0 C-N-CA 127.326 2.25 . . . . 0.0 114.201 -167.28 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.461 ' HA ' ' HB3' ' A' ' 30' ' ' ARG . 61.6 m-80 -51.78 -53.59 38.11 Favored 'General case' 0 C--O 1.201 -1.496 0 CA-C-O 114.886 -2.483 . . . . 0.0 113.341 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -28.92 -38.56 0.01 OUTLIER 'General case' 0 N--CA 1.531 3.614 0 N-CA-C 119.437 3.125 . . . . 0.0 119.437 168.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -103.29 -13.9 8.55 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.814 0 N-CA-C 119.451 3.13 . . . . 0.0 119.451 169.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.461 ' HB3' ' HA ' ' A' ' 27' ' ' ASN . 46.0 ttp85 -67.02 -22.13 65.9 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-O 115.946 -1.978 . . . . 0.0 111.976 161.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.3 mp -62.5 -47.03 94.92 Favored 'Isoleucine or valine' 0 C--O 1.174 -2.878 0 O-C-N 125.866 1.979 . . . . 0.0 108.045 162.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.434 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 72.1 mtm -86.2 -44.32 12.28 Favored 'General case' 0 N--CA 1.52 3.036 0 C-N-CA 117.36 -1.736 . . . . 0.0 112.688 -156.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.402 ' HB2' HD21 ' A' ' 91' ' ' LEU . 6.9 tm-20 -28.28 -35.94 0.01 OUTLIER 'General case' 0 C--N 1.379 1.891 0 O-C-N 119.324 -2.11 . . . . 0.0 113.986 148.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.55 -45.24 7.83 Favored 'General case' 0 CA--C 1.574 1.865 0 CA-C-N 125.44 3.745 . . . . 0.0 112.976 176.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.9 mt -52.88 -26.16 13.93 Favored 'General case' 0 N--CA 1.526 3.358 0 O-C-N 118.077 -2.89 . . . . 0.0 112.633 171.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.4 m -55.93 -16.59 4.94 Favored 'General case' 0 C--O 1.194 -1.846 0 CA-C-N 110.171 -3.195 . . . . 0.0 112.562 173.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.0 m -134.97 -23.62 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.711 0 CA-C-N 122.83 2.559 . . . . 0.0 115.879 -177.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.4 m -156.05 128.03 7.47 Favored 'General case' 0 C--O 1.254 1.3 0 C-N-CA 131.529 3.932 . . . . 0.0 114.375 177.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' HG2' ' HA ' ' A' ' 81' ' ' SER . 17.7 mt-10 -96.65 136.59 36.96 Favored 'General case' 0 CA--C 1.605 3.079 0 O-C-N 119.049 -2.282 . . . . 0.0 110.869 -163.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -139.73 143.84 37.21 Favored 'General case' 0 CA--C 1.481 -1.691 0 CA-C-N 113.24 -1.8 . . . . 0.0 112.726 -172.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -89.09 159.66 17.43 Favored 'General case' 0 N--CA 1.513 2.68 0 CA-C-O 121.349 0.595 . . . . 0.0 112.435 170.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.527 HG13 ' HB ' ' A' ' 56' ' ' VAL . 59.0 t -25.11 -50.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 118.67 2.841 . . . . 0.0 118.67 176.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.16 -35.75 60.59 Favored Glycine 0 CA--C 1.542 1.738 0 O-C-N 119.085 -2.26 . . . . 0.0 112.666 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -79.24 -40.22 31.16 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-N 122.281 3.04 . . . . 0.0 111.332 -177.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.42 HG23 HD13 ' A' ' 49' ' ' LEU . 45.7 mt -50.4 -49.05 24.95 Favored 'Isoleucine or valine' 0 C--N 1.373 1.614 0 O-C-N 118.7 -2.5 . . . . 0.0 109.042 165.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.4 m -65.29 -10.61 33.87 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 119.608 -1.932 . . . . 0.0 115.201 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -91.28 -64.53 1.11 Allowed 'General case' 0 C--N 1.377 1.763 0 N-CA-C 104.371 -2.455 . . . . 0.0 104.371 168.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . 0.266 63.3 tt0 -63.79 -42.69 97.69 Favored 'General case' 0 CA--C 1.615 3.466 0 C-N-CA 130.777 3.631 . . . . 0.0 111.416 -161.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.42 HD13 HG23 ' A' ' 45' ' ' ILE . 5.5 mp -94.24 5.66 51.07 Favored 'General case' 0 N--CA 1.503 2.203 0 C-N-CA 125.334 1.453 . . . . 0.0 113.315 172.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.9 m120 54.57 53.75 10.25 Favored 'General case' 0 C--O 1.298 3.625 0 N-CA-C 115.953 1.834 . . . . 0.0 115.953 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.2 mt -107.41 -139.2 0.37 Allowed 'General case' 0 C--O 1.269 2.099 0 CA-C-O 121.833 0.825 . . . . 0.0 112.814 -174.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 61.4 p -150.01 138.7 20.8 Favored 'General case' 0 N--CA 1.421 -1.904 0 O-C-N 118.208 -2.808 . . . . 0.0 109.462 170.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.48 -30.08 70.33 Favored 'General case' 0 C--N 1.399 2.747 0 O-C-N 119.096 -2.253 . . . . 0.0 112.117 -172.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.5 m -53.6 -33.79 56.15 Favored 'General case' 0 C--N 1.364 1.216 0 O-C-N 125.863 1.977 . . . . 0.0 115.324 165.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -83.35 -31.73 26.63 Favored 'General case' 0 C--O 1.284 2.891 0 CA-C-N 121.128 1.786 . . . . 0.0 109.438 175.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.559 ' C ' ' H ' ' A' ' 58' ' ' HIS . 23.5 t -92.82 -34.85 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 CA-C-N 121.126 1.784 . . . . 0.0 113.11 -167.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.1 m -54.89 12.27 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 156.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.559 ' H ' ' C ' ' A' ' 56' ' ' VAL . 14.7 t60 -139.07 -38.52 0.5 Allowed 'General case' 0 C--O 1.191 -2.012 0 CA-C-O 117.026 -1.464 . . . . 0.0 110.811 -176.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -88.27 -44.99 10.43 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 125.765 1.626 . . . . 0.0 111.067 177.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.413 HD21 ' CG ' ' A' ' 80' ' ' TYR . 12.3 tp -53.69 -39.65 65.32 Favored 'General case' 0 CA--C 1.587 2.393 0 O-C-N 119.23 -2.169 . . . . 0.0 116.032 167.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -70.59 -34.23 71.95 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 123.479 1.609 . . . . 0.0 112.335 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.538 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -64.94 -52.01 58.71 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 119.73 -1.856 . . . . 0.0 108.531 175.119 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.538 ' N ' HD13 ' A' ' 62' ' ' LEU 0.318 15.7 mt -69.23 -30.82 69.05 Favored 'General case' 0 C--O 1.275 2.406 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 -169.262 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -59.59 -54.12 50.17 Favored 'General case' 0 C--N 1.268 -2.948 0 C-N-CA 128.182 2.593 . . . . 0.0 109.806 173.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.5 m -77.97 1.64 20.11 Favored 'General case' 0 C--O 1.276 2.493 0 O-C-N 116.98 -3.575 . . . . 0.0 113.635 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.323 6.0 m -120.06 19.43 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 CA-C-O 125.794 2.712 . . . . 0.0 113.066 168.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.257 10.9 p80 48.69 39.3 13.34 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 121.351 3.834 . . . . 0.0 121.351 173.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.4 mp -97.75 -23.5 15.89 Favored 'General case' 0 C--O 1.252 1.215 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 163.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.3 t -117.36 151.8 19.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 N-CA-C 104.087 -2.56 . . . . 0.0 104.087 -174.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.84 144.08 37.11 Favored 'General case' 0 C--O 1.274 2.364 0 C-N-CA 125.74 1.616 . . . . 0.0 109.304 172.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.609 ' HB2' ' CE2' ' A' ' 80' ' ' TYR . . . -122.86 147.23 46.8 Favored 'General case' 0 C--O 1.271 2.192 1 CA-C-O 128.822 4.153 . . . . 0.0 109.148 -173.481 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -136.57 137.05 39.81 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 117.315 -3.366 . . . . 0.0 107.0 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 70.5 ttt-85 -85.76 140.08 30.78 Favored 'General case' 0 CA--C 1.559 1.324 0 O-C-N 120.407 -1.433 . . . . 0.0 108.144 -174.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -133.15 74.24 1.56 Allowed 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 128.833 2.853 . . . . 0.0 107.322 167.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.13 -131.72 39.23 Favored Glycine 1 CA--C 1.584 4.392 0 CA-C-O 123.466 1.592 . . . . 0.0 112.379 -175.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -62.08 -13.55 27.65 Favored 'General case' 0 CA--C 1.595 2.687 0 O-C-N 117.104 -3.586 . . . . 0.0 113.984 -172.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 55.0 m -117.38 158.57 24.2 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 125.934 1.693 . . . . 0.0 114.94 177.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 17.9 mmt -116.42 131.43 56.95 Favored 'General case' 0 CA--C 1.474 -1.976 0 C-N-CA 131.455 3.902 . . . . 0.0 107.482 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.8 mm -115.95 139.06 44.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 C-N-CA 130.016 3.326 . . . . 0.0 108.534 -175.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.609 ' CE2' ' HB2' ' A' ' 71' ' ' ALA . 29.8 m-85 -132.79 150.3 52.17 Favored 'General case' 0 CA--C 1.57 1.721 0 CA-C-O 125.319 2.485 . . . . 0.0 109.859 -159.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.423 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 5.1 m -148.3 176.55 10.16 Favored 'General case' 0 N--CA 1.502 2.132 0 CA-C-N 111.754 -2.475 . . . . 0.0 107.385 -169.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -68.29 155.87 38.87 Favored 'General case' 0 CA--C 1.571 1.753 0 O-C-N 117.493 -3.254 . . . . 0.0 107.333 160.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -63.65 -48.59 76.59 Favored 'General case' 0 C--O 1.268 2.038 0 CA-C-N 113.91 -1.495 . . . . 0.0 110.902 -174.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -158.06 179.14 9.45 Favored 'General case' 0 C--O 1.274 2.375 0 CA-C-O 126.17 2.89 . . . . 0.0 105.847 169.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . 0.281 6.9 tp -55.79 -32.17 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 1 C-N-CA 133.164 4.585 . . . . 0.0 112.162 179.692 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -58.44 -52.49 65.43 Favored 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 130.249 3.419 . . . . 0.0 112.232 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.4 p -76.68 -49.17 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 CA-C-N 113.684 -1.598 . . . . 0.0 112.062 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.04 -44.6 31.26 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 116.964 -3.585 . . . . 0.0 109.252 171.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.8 m -64.16 -41.34 97.19 Favored 'General case' 0 N--CA 1.534 3.743 0 O-C-N 116.812 -3.68 . . . . 0.0 114.591 174.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . 0.354 0.2 OUTLIER -53.75 -41.2 66.86 Favored 'General case' 0 CA--C 1.594 2.648 0 C-N-CA 124.463 1.105 . . . . 0.0 113.903 172.351 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.434 ' CD1' ' HB2' ' A' ' 32' ' ' MET 0.32 4.3 tt -82.3 -53.14 6.27 Favored 'General case' 0 N--CA 1.513 2.714 0 CA-C-O 114.94 -2.457 . . . . 0.0 109.808 176.61 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.8 tttp -45.06 -55.72 5.35 Favored 'General case' 0 CA--C 1.573 1.835 0 CA-C-N 123.182 2.719 . . . . 0.0 116.548 173.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -67.91 -13.44 62.16 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 117.783 2.512 . . . . 0.0 117.783 175.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.14 -57.77 4.19 Favored 'General case' 0 CA--C 1.485 -1.548 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 159.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.484 HD12 HG11 ' B' ' 16' ' ' VAL . 1.0 OUTLIER -50.29 -2.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.291 3.246 0 CA-C-O 125.536 2.589 . . . . 0.0 117.524 170.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -117.35 -1.35 11.78 Favored 'General case' 0 N--CA 1.422 -1.834 0 O-C-N 118.503 -2.623 . . . . 0.0 115.768 172.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -110.97 -2.07 16.12 Favored 'General case' 0 N--CA 1.523 3.212 0 C-N-CA 117.722 -1.591 . . . . 0.0 111.677 169.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.548 ' HB1' ' CB ' ' B' ' 15' ' ' ARG . . . -66.95 -46.21 75.42 Favored 'General case' 0 N--CA 1.521 3.105 0 O-C-N 116.316 -3.99 . . . . 0.0 112.08 174.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -123.2 160.39 26.66 Favored 'General case' 0 C--N 1.271 -2.819 0 O-C-N 126.222 2.201 . . . . 0.0 112.751 171.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -142.94 61.3 10.4 Favored Pre-proline 0 N--CA 1.491 1.602 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -78.16 172.59 15.2 Favored 'Trans proline' 0 N--CA 1.53 3.671 0 C-N-CA 121.641 1.561 . . . . 0.0 112.492 173.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -75.15 154.48 37.7 Favored 'General case' 0 C--O 1.197 -1.66 1 O-C-N 116.086 -4.133 . . . . 0.0 110.589 177.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 C--O 1.273 2.3 0 CA-C-N 111.53 -2.577 . . . . 0.0 116.516 173.865 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 . . . . . 0 N--CA 1.501 2.114 0 CA-C-O 117.748 -1.12 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 14.3 p -126.41 4.84 6.93 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-N 122.697 2.499 . . . . 0.0 112.753 175.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 59.33 -37.87 0.07 Allowed 'General case' 0 C--O 1.257 1.452 0 C-N-CA 130.403 3.481 . . . . 0.0 112.662 175.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 78.2 p -114.58 -63.44 1.46 Allowed 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 117.28 2.326 . . . . 0.0 117.28 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -43.45 -52.69 5.9 Favored 'General case' 0 CA--C 1.48 -1.745 0 N-CA-C 121.651 3.945 . . . . 0.0 121.651 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -62.12 -12.02 17.31 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 126.873 3.225 . . . . 0.0 112.163 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.548 ' CB ' ' HB1' ' A' ' 98' ' ' ALA . 4.1 mmp_? -116.06 0.51 13.02 Favored 'General case' 0 N--CA 1.439 -1.016 0 O-C-N 117.81 -3.056 . . . . 0.0 113.81 -175.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.497 HG12 HD12 ' B' ' 19' ' ' ILE . 4.1 m -114.93 -7.43 12.15 Favored 'Isoleucine or valine' 0 C--N 1.398 2.694 0 CA-C-O 111.863 -3.923 . . . . 0.0 114.383 158.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 9.8 p -61.33 -39.62 91.2 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 122.029 2.195 . . . . 0.0 105.517 167.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -58.8 -30.89 67.95 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 117.22 -3.425 . . . . 0.0 112.363 172.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.497 HD12 HG12 ' B' ' 16' ' ' VAL . 5.7 mt -81.24 -58.58 3.6 Favored 'Isoleucine or valine' 0 C--N 1.396 2.617 1 O-C-N 115.928 -4.232 . . . . 0.0 109.264 178.107 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.422 ' HA ' ' HG ' ' B' ' 23' ' ' LEU . 5.2 m-30 -66.58 -30.89 71.29 Favored 'General case' 0 N--CA 1.427 -1.592 0 O-C-N 118.919 -2.363 . . . . 0.0 114.147 -166.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 pttm -65.59 -46.63 78.65 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 121.086 0.47 . . . . 0.0 110.174 173.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.87 3.85 13.39 Favored 'General case' 0 C--O 1.21 -1.026 0 C-N-CA 128.03 2.532 . . . . 0.0 110.416 -178.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.422 ' HG ' ' HA ' ' B' ' 20' ' ' PHE . 31.8 mt -72.39 6.28 2.42 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-N 123.041 2.655 . . . . 0.0 109.207 159.387 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.07 23.1 0.57 Allowed Glycine 1 CA--C 1.578 4.008 0 N-CA-C 120.134 2.814 . . . . 0.0 120.134 -168.068 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -151.55 121.6 7.15 Favored 'General case' 0 CA--C 1.587 2.391 0 CA-C-N 120.927 2.364 . . . . 0.0 107.212 -173.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -55.42 -38.2 68.65 Favored 'General case' 0 CA--C 1.571 1.751 0 C-N-CA 117.673 -1.611 . . . . 0.0 113.725 172.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -63.45 -43.89 96.09 Favored 'General case' 0 C--O 1.24 0.566 1 O-C-N 116.251 -4.031 . . . . 0.0 110.565 -174.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.495 ' HB3' HD21 ' B' ' 63' ' ' LEU . 54.3 mtt180 -46.61 -48.35 19.77 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 120.223 1.374 . . . . 0.0 111.056 174.083 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 40.7 mm -68.88 -39.56 80.08 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 C-N-CA 130.2 3.4 . . . . 0.0 111.892 -173.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -69.35 -31.28 69.62 Favored 'General case' 0 CA--C 1.504 -0.796 0 C-N-CA 130.936 3.695 . . . . 0.0 112.508 -175.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.545 ' HA ' HD21 ' B' ' 49' ' ' LEU . 4.5 mt -60.41 -43.74 94.65 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.863 0 CA-C-N 111.859 -2.428 . . . . 0.0 111.219 170.336 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 75.4 mtm -89.62 -49.26 6.77 Favored 'General case' 0 C--O 1.252 1.191 0 O-C-N 119.314 -2.116 . . . . 0.0 115.152 -163.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -10.93 -63.28 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.934 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 135.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.537 ' C ' HD13 ' B' ' 34' ' ' LEU . 2.0 tm? -71.37 -50.92 27.36 Favored 'General case' 0 C--O 1.206 -1.2 0 N-CA-C 118.364 2.727 . . . . 0.0 118.364 -176.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.31 -32.63 57.02 Favored 'General case' 0 C--O 1.197 -1.659 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 5.0 p -67.98 -2.18 7.11 Favored 'General case' 0 CA--C 1.574 1.899 0 C-N-CA 129.032 2.933 . . . . 0.0 110.729 -172.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . 0.309 3.2 m -128.61 -37.3 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.586 2.36 0 C-N-CA 127.523 2.329 . . . . 0.0 111.954 174.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -156.79 127.59 6.73 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 117.926 -2.984 . . . . 0.0 104.692 162.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -73.45 127.41 32.63 Favored 'General case' 0 CA--C 1.58 2.108 0 N-CA-C 106.873 -1.528 . . . . 0.0 106.873 -165.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.3 143.62 48.25 Favored 'General case' 0 CA--C 1.584 2.254 0 O-C-N 117.57 -3.206 . . . . 0.0 112.07 -178.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 23.0 t -80.36 151.43 29.43 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 127.705 2.402 . . . . 0.0 113.851 162.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.423 HG23 HD23 ' B' ' 60' ' ' LEU . 95.4 t -12.68 -66.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.426 0 C-N-CA 125.968 1.707 . . . . 0.0 112.582 155.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.28 -35.26 90.65 Favored Glycine 0 CA--C 1.558 2.73 0 CA-C-O 118.745 -1.03 . . . . 0.0 113.605 -169.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -81.11 -43.6 19.19 Favored 'General case' 0 C--N 1.365 1.278 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 174.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 33.7 mt -49.37 -44.52 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 O-C-N 128.713 3.758 . . . . 0.0 109.509 173.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 73.3 m -45.31 -51.65 10.74 Favored 'General case' 0 C--N 1.342 0.245 0 O-C-N 127.962 3.289 . . . . 0.0 108.559 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -69.57 -55.07 11.16 Favored 'General case' 0 C--N 1.377 1.783 0 N-CA-C 115.332 1.604 . . . . 0.0 115.332 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -70.37 -6.01 32.35 Favored 'General case' 0 N--CA 1.525 3.319 0 CA-C-O 115.351 -2.262 . . . . 0.0 113.984 -175.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.545 HD21 ' HA ' ' B' ' 31' ' ' ILE . 5.7 mp -130.8 1.23 4.37 Favored 'General case' 0 CA--C 1.605 3.077 0 O-C-N 125.671 1.857 . . . . 0.0 108.532 -175.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 m120 59.94 51.65 5.8 Favored 'General case' 0 N--CA 1.525 3.307 0 C-N-CA 130.352 3.461 . . . . 0.0 114.479 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 73.0 mt -129.84 153.26 48.45 Favored 'General case' 0 C--O 1.278 2.598 0 N-CA-C 105.127 -2.175 . . . . 0.0 105.127 -168.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 22.9 t -74.76 142.38 44.31 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 123.228 1.489 . . . . 0.0 113.103 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -61.88 -38.56 88.76 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 117.562 -3.211 . . . . 0.0 109.614 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 46.6 m -62.17 -25.67 67.9 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 174.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -79.31 -35.92 40.43 Favored 'General case' 0 C--O 1.191 -1.987 0 C-N-CA 129.906 3.282 . . . . 0.0 110.476 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.415 ' C ' ' H ' ' B' ' 58' ' ' HIS . 17.3 t -83.52 -29.43 7.75 Favored 'Isoleucine or valine' 0 C--N 1.35 0.618 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 177.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 20.3 m -61.99 8.55 0.04 OUTLIER 'General case' 0 N--CA 1.527 3.425 0 C-N-CA 126.285 1.834 . . . . 0.0 112.923 159.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' HIS . . . . . 0.415 ' H ' ' C ' ' B' ' 56' ' ' VAL . 72.4 t60 -135.74 -33.99 0.84 Allowed 'General case' 0 N--CA 1.416 -2.134 0 C-N-CA 124.702 1.201 . . . . 0.0 110.588 174.5 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -77.76 -41.21 38.33 Favored 'General case' 0 N--CA 1.439 -0.981 0 O-C-N 117.031 -3.543 . . . . 0.0 106.173 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.423 HD23 HG23 ' B' ' 42' ' ' VAL . 6.2 tp -67.32 -42.02 84.32 Favored 'General case' 0 C--O 1.205 -1.275 1 O-C-N 114.236 -5.29 . . . . 0.0 106.341 179.566 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -70.62 -31.18 68.05 Favored 'General case' 0 CA--C 1.557 1.246 1 O-C-N 115.713 -4.367 . . . . 0.0 110.157 177.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.585 HD13 ' N ' ' B' ' 63' ' ' LEU . 0.1 OUTLIER -67.1 -47.01 72.49 Favored 'General case' 0 C--O 1.248 1.011 0 C-N-CA 119.487 -0.885 . . . . 0.0 112.107 172.413 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.585 ' N ' HD13 ' B' ' 62' ' ' LEU . 72.0 mt -61.67 -39.12 90.3 Favored 'General case' 0 C--O 1.185 -2.301 0 N-CA-C 118.854 2.909 . . . . 0.0 118.854 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -53.15 -38.84 63.07 Favored 'General case' 0 N--CA 1.537 3.903 1 CA-C-N 107.375 -4.466 . . . . 0.0 112.839 167.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.7 m -83.28 -8.61 59.42 Favored 'General case' 1 N--CA 1.546 4.337 0 CA-C-N 113.598 -1.637 . . . . 0.0 108.515 -178.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.444 HG23 ' CD1' ' B' ' 68' ' ' LEU 0.306 15.9 m -115.55 14.64 7.91 Favored 'Isoleucine or valine' 0 C--N 1.383 2.044 0 C-N-CA 128.573 2.749 . . . . 0.0 114.286 174.701 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 4.6 m80 66.92 18.71 10.64 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 113.877 -1.51 . . . . 0.0 112.698 162.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.444 ' CD1' HG23 ' B' ' 66' ' ' VAL . 2.9 mp -88.82 -13.57 39.03 Favored 'General case' 0 N--CA 1.517 2.889 0 CA-C-N 119.554 1.07 . . . . 0.0 113.366 169.143 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.3 t -128.9 143.23 41.85 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.09 0 C-N-CA 128.105 2.562 . . . . 0.0 115.8 -162.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -137.2 147.6 45.95 Favored 'General case' 0 C--O 1.274 2.384 0 CA-C-O 128.166 3.841 . . . . 0.0 113.727 165.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -99.56 152.38 20.1 Favored 'General case' 0 CA--C 1.576 1.953 0 O-C-N 118.386 -2.696 . . . . 0.0 117.237 173.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -162.68 140.98 8.54 Favored 'General case' 0 N--CA 1.53 3.53 0 CA-C-O 124.116 1.913 . . . . 0.0 114.263 172.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -64.16 138.59 58.52 Favored 'General case' 0 C--N 1.289 -2.059 0 O-C-N 116.716 -3.74 . . . . 0.0 113.492 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -154.73 119.5 4.87 Favored 'General case' 0 CA--C 1.6 2.871 0 O-C-N 119.55 -1.969 . . . . 0.0 109.025 167.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.18 -118.59 11.6 Favored Glycine 0 CA--C 1.545 1.957 0 O-C-N 121.541 -0.724 . . . . 0.0 111.87 -172.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -101.45 8.4 42.11 Favored 'General case' 0 N--CA 1.423 -1.823 0 N-CA-C 117.463 2.394 . . . . 0.0 117.463 -172.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 56.5 p -141.01 171.46 14.03 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 114.932 -1.031 . . . . 0.0 112.533 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 36.4 ttm -111.77 100.49 8.98 Favored 'General case' 0 N--CA 1.418 -2.048 0 N-CA-C 101.934 -3.358 . . . . 0.0 101.934 175.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 39.9 mm -55.15 154.62 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.893 0 C-N-CA 127.75 2.42 . . . . 0.0 113.869 166.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -134.61 156.29 48.97 Favored 'General case' 0 CA--C 1.468 -2.197 0 CA-C-O 117.556 -1.211 . . . . 0.0 110.495 173.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . 0.321 15.8 m -150.2 159.53 44.36 Favored 'General case' 0 C--O 1.178 -2.674 0 C-N-CA 130.736 3.614 . . . . 0.0 107.54 -166.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.452 HD13 ' HB2' ' B' ' 88' ' ' ALA . 2.7 mt -58.79 131.2 50.22 Favored 'General case' 0 C--O 1.213 -0.839 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 160.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -55.22 -48.62 73.63 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 127.572 2.349 . . . . 0.0 110.027 -168.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -154.49 174.58 14.72 Favored 'General case' 0 N--CA 1.422 -1.843 0 O-C-N 119.766 -1.834 . . . . 0.0 112.607 141.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 2.0 pp -65.41 -8.68 6.29 Favored 'Isoleucine or valine' 0 C--O 1.261 1.705 0 C-N-CA 130.566 3.546 . . . . 0.0 115.014 -169.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -51.49 -62.48 1.6 Allowed 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 119.091 -2.256 . . . . 0.0 111.275 164.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 m -82.71 -20.92 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.808 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 -175.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.452 ' HB2' HD13 ' B' ' 82' ' ' LEU . . . -54.19 -37.66 64.76 Favored 'General case' 0 C--O 1.184 -2.353 0 C-N-CA 116.981 -1.888 . . . . 0.0 112.079 163.326 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 73.6 m -64.55 -58.2 7.02 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 130.134 3.374 . . . . 0.0 108.077 178.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 11.8 tmm? -40.62 -53.48 2.74 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.931 -1.73 . . . . 0.0 115.25 170.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 4.7 tt -60.38 -46.5 89.72 Favored 'General case' 0 N--CA 1.415 -2.221 0 O-C-N 125.336 1.648 . . . . 0.0 112.883 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -62.72 -35.89 81.2 Favored 'General case' 0 N--CA 1.425 -1.694 0 CA-C-O 123.026 1.393 . . . . 0.0 113.573 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -85.47 -11.28 54.68 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 119.04 -2.288 . . . . 0.0 115.717 176.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.49 -37.62 56.51 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 125.179 1.549 . . . . 0.0 110.487 177.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 1.7 mp -63.26 -45.12 99.14 Favored 'Isoleucine or valine' 0 C--N 1.375 1.694 0 O-C-N 124.845 1.341 . . . . 0.0 111.264 166.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -45.67 89.24 Favored 'General case' 0 C--N 1.377 1.785 0 CA-C-O 122.399 1.095 . . . . 0.0 109.398 -174.019 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . 0.28 8.2 t60 -55.14 -28.31 51.84 Favored 'General case' 0 N--CA 1.511 2.619 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 167.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.23 -0.88 57.8 Favored 'General case' 0 C--O 1.273 2.301 1 O-C-N 115.397 -4.564 . . . . 0.0 115.033 174.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -147.37 60.9 1.16 Allowed 'General case' 1 CA--C 1.63 4.055 0 CA-C-N 112.764 -2.016 . . . . 0.0 111.716 -168.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -74.5 121.63 85.68 Favored Pre-proline 0 N--CA 1.496 1.857 0 CA-C-N 113.341 -1.754 . . . . 0.0 113.337 168.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -68.89 -24.89 33.33 Favored 'Trans proline' 0 C--N 1.374 1.877 0 CA-C-O 115.669 -1.888 . . . . 0.0 113.318 -171.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . 0.259 18.7 ptpt -153.65 122.99 6.59 Favored 'General case' 0 C--O 1.255 1.35 0 CA-C-N 122.445 2.384 . . . . 0.0 104.924 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 . . . . . 0 N--CA 1.526 3.339 0 CA-C-O 114.371 -2.728 . . . . 0.0 112.605 -179.842 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.7 m120 . . . . . 0 CA--C 1.491 -1.308 0 CA-C-O 113.602 -3.094 . . . . 0.0 107.118 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.0 p -114.91 -52.03 2.71 Favored 'General case' 0 CA--C 1.564 1.494 0 CA-C-N 123.343 2.792 . . . . 0.0 114.775 -175.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.359 20.1 m-20 72.57 -47.92 0.68 Allowed 'General case' 0 C--O 1.248 1.01 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 176.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.5 p -149.96 -7.01 0.32 Allowed 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 128.009 2.524 . . . . 0.0 113.275 173.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.674 ' O ' HG23 ' A' ' 17' ' ' THR . 1.5 mm? -66.31 -31.24 71.91 Favored 'General case' 0 CA--C 1.582 2.186 0 N-CA-C 117.325 2.343 . . . . 0.0 117.325 -161.252 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.25 1.8 mt-10 -73.55 -31.75 63.81 Favored 'General case' 0 N--CA 1.476 0.836 1 CA-C-O 111.488 -4.101 . . . . 0.0 112.756 169.144 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.444 ' HG2' ' HB1' ' B' ' 98' ' ' ALA . 35.4 ttm180 -78.4 -10.18 59.59 Favored 'General case' 1 N--CA 1.547 4.411 0 N-CA-C 118.579 2.807 . . . . 0.0 118.579 165.377 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.533 HG12 ' CZ ' ' A' ' 20' ' ' PHE . 11.1 t -84.35 -45.34 18.0 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.58 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 167.261 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 13' ' ' LEU 0.258 25.8 p -49.86 -32.53 14.58 Favored 'General case' 0 C--N 1.411 3.26 0 CA-C-N 120.99 1.723 . . . . 0.0 111.883 170.091 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -70.1 -17.84 63.23 Favored 'General case' 0 C--O 1.2 -1.507 0 CA-C-O 114.139 -2.838 . . . . 0.0 115.693 174.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.328 2.2 pp -101.67 3.78 10.6 Favored 'Isoleucine or valine' 0 C--O 1.267 2.023 0 CA-C-N 121.566 1.985 . . . . 0.0 112.806 166.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.533 ' CZ ' HG12 ' A' ' 16' ' ' VAL . 6.0 m-85 -94.62 -32.03 13.59 Favored 'General case' 0 N--CA 1.505 2.296 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 162.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -59.35 63.07 0.0 OUTLIER 'General case' 0 CA--C 1.567 1.626 0 C-N-CA 128.839 2.855 . . . . 0.0 107.165 146.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -176.88 -13.92 0.01 OUTLIER 'General case' 0 N--CA 1.537 3.894 1 C-N-CA 132.612 4.365 . . . . 0.0 113.213 174.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.4 mt -106.98 -122.91 0.24 Allowed 'General case' 0 CA--C 1.58 2.114 0 O-C-N 118.163 -2.835 . . . . 0.0 107.262 -165.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.55 -22.26 0.18 Allowed Glycine 0 CA--C 1.541 1.695 0 C-N-CA 129.693 3.52 . . . . 0.0 119.043 168.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -107.91 177.42 4.82 Favored 'General case' 0 CA--C 1.571 1.782 0 CA-C-O 124.548 2.118 . . . . 0.0 108.718 -167.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -93.76 -92.34 0.18 Allowed 'General case' 0 N--CA 1.515 2.782 0 C-N-CA 127.308 2.243 . . . . 0.0 108.71 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -50.06 -45.78 52.64 Favored 'General case' 0 C--N 1.393 2.49 0 O-C-N 117.671 -3.143 . . . . 0.0 112.859 -170.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -29.15 -49.53 0.08 Allowed 'General case' 0 N--CA 1.535 3.789 0 N-CA-C 118.315 2.709 . . . . 0.0 118.315 172.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.321 6.5 pt -97.99 -10.62 8.78 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.041 0 C-N-CA 128.068 2.547 . . . . 0.0 115.615 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.1 ttp85 -69.52 -22.28 63.6 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 129.598 3.159 . . . . 0.0 110.935 165.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . 0.252 17.0 mt -72.1 -52.12 26.51 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-N 113.89 -1.505 . . . . 0.0 109.503 169.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . 0.295 42.2 mtm -79.91 -36.61 36.15 Favored 'General case' 0 CA--C 1.611 3.292 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 -167.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -23.6 -44.75 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.746 0 N-CA-C 118.254 2.687 . . . . 0.0 118.254 139.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.484 ' C ' HD13 ' A' ' 34' ' ' LEU 0.315 0.4 OUTLIER -95.45 -33.56 12.42 Favored 'General case' 0 C--O 1.277 2.524 0 CA-C-N 122.416 2.371 . . . . 0.0 111.648 -173.371 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.04 -8.08 14.67 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 119.295 -2.128 . . . . 0.0 115.188 174.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 63.5 m -86.81 -1.1 57.51 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-N 109.258 -3.61 . . . . 0.0 113.479 175.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 35.3 m -138.52 -44.51 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.584 2.275 0 C-N-CA 129.422 3.089 . . . . 0.0 118.914 167.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -142.74 112.5 6.9 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -73.84 125.76 28.89 Favored 'General case' 0 C--O 1.246 0.906 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 -169.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.76 152.54 49.14 Favored 'General case' 0 CA--C 1.597 2.754 0 CA-C-N 121.703 2.047 . . . . 0.0 111.075 -175.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.3 t -88.27 159.94 17.89 Favored 'General case' 0 C--O 1.183 -2.422 0 CA-C-N 111.659 -2.519 . . . . 0.0 116.218 163.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.1 t -10.42 -55.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.474 -1.965 0 CA-C-O 112.8 -3.476 . . . . 0.0 119.427 162.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.96 -42.99 50.78 Favored Glycine 0 CA--C 1.555 2.569 0 CA-C-N 124.787 3.449 . . . . 0.0 117.819 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -79.87 -36.11 37.14 Favored 'General case' 0 N--CA 1.435 -1.215 0 O-C-N 116.9 -3.706 . . . . 0.0 109.733 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.8 mt -48.79 -68.64 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.602 2.945 0 C-N-CA 115.89 -2.324 . . . . 0.0 109.816 170.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.9 m -49.28 -28.31 4.63 Favored 'General case' 0 CA--C 1.475 -1.918 0 CA-C-O 115.104 -2.379 . . . . 0.0 112.331 -175.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -82.4 -58.48 2.91 Favored 'General case' 0 CA--C 1.577 1.993 0 CA-C-N 122.702 2.501 . . . . 0.0 112.094 167.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -57.18 -42.97 82.17 Favored 'General case' 0 N--CA 1.52 3.032 0 N-CA-C 117.166 2.284 . . . . 0.0 117.166 -176.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.428 ' N ' HD12 ' A' ' 49' ' ' LEU . 6.7 mp -82.77 -20.1 36.52 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 118.903 -2.373 . . . . 0.0 114.456 169.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.9 m120 68.37 53.65 0.58 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 126.731 2.519 . . . . 0.0 115.336 -173.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.1 mt -98.83 -123.99 0.15 Allowed 'General case' 0 C--O 1.266 1.951 0 O-C-N 120.899 -1.126 . . . . 0.0 113.164 173.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.72 139.42 5.36 Favored 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 129.714 3.206 . . . . 0.0 106.75 -174.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -66.54 -38.13 86.46 Favored 'General case' 0 CA--C 1.577 2.017 0 CA-C-O 115.02 -2.419 . . . . 0.0 111.034 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.6 m -58.7 -37.22 75.62 Favored 'General case' 0 C--O 1.2 -1.509 0 CA-C-N 123.131 2.696 . . . . 0.0 113.423 169.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -83.24 -24.24 32.42 Favored 'General case' 0 C--N 1.288 -2.084 0 CA-C-N 120.507 1.503 . . . . 0.0 112.02 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.2 t -94.33 -22.28 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.29 1 O-C-N 113.393 -5.817 . . . . 0.0 109.695 176.152 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . 0.253 15.7 m -58.72 -0.83 0.12 Allowed 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 118.224 2.675 . . . . 0.0 118.224 152.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 61.3 t-80 -123.65 -51.65 1.82 Allowed 'General case' 0 N--CA 1.502 2.17 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -77.67 -34.56 52.97 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 118.303 -2.748 . . . . 0.0 113.966 -162.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.472 HD21 ' CD1' ' A' ' 80' ' ' TYR 0.29 12.3 tp -61.03 -45.04 96.42 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 117.23 -1.366 . . . . 0.0 109.508 167.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -63.3 -35.99 82.18 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 124.33 1.019 . . . . 0.0 112.217 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -60.56 -59.57 5.19 Favored 'General case' 0 CA--C 1.618 3.596 0 CA-C-N 113.337 -1.756 . . . . 0.0 110.415 174.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 37.7 mt -65.81 -29.03 69.45 Favored 'General case' 0 CA--C 1.489 -1.373 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.804 -167.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -41.38 88.75 Favored 'General case' 0 C--N 1.311 -1.101 0 C-N-CA 127.17 2.188 . . . . 0.0 112.676 175.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.2 m -70.86 -13.12 61.92 Favored 'General case' 0 CA--C 1.581 2.168 0 O-C-N 127.652 3.095 . . . . 0.0 114.116 166.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.419 27.5 m -114.8 19.38 7.2 Favored 'Isoleucine or valine' 0 C--O 1.253 1.271 0 O-C-N 124.218 0.949 . . . . 0.0 113.508 171.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 48.67 24.8 0.85 Allowed 'General case' 0 C--N 1.372 1.581 0 C-N-CA 129.979 3.312 . . . . 0.0 114.436 172.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.2 mp -84.83 -23.3 29.12 Favored 'General case' 0 N--CA 1.533 3.711 0 C-N-CA 116.188 -2.205 . . . . 0.0 111.205 160.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.5 t -112.53 155.22 13.84 Favored 'Isoleucine or valine' 0 C--O 1.28 2.671 0 C-N-CA 125.969 1.708 . . . . 0.0 110.007 -179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -138.01 128.17 25.92 Favored 'General case' 0 N--CA 1.415 -2.21 0 C-N-CA 125.509 1.523 . . . . 0.0 107.243 176.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.508 ' HB2' ' CE2' ' A' ' 80' ' ' TYR . . . -77.49 147.62 35.77 Favored 'General case' 0 N--CA 1.521 3.077 0 O-C-N 119.902 -1.749 . . . . 0.0 115.085 163.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -126.28 135.02 51.03 Favored 'General case' 0 N--CA 1.517 2.89 0 C-N-CA 125.569 1.548 . . . . 0.0 111.929 153.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -85.38 136.94 33.25 Favored 'General case' 0 CA--C 1.566 1.594 0 O-C-N 119.845 -1.785 . . . . 0.0 113.552 -178.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -133.0 71.59 1.47 Allowed 'General case' 0 C--O 1.276 2.498 0 N-CA-C 103.854 -2.647 . . . . 0.0 103.854 170.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.87 -97.16 0.41 Allowed Glycine 0 CA--C 1.565 3.183 0 CA-C-N 112.246 -2.252 . . . . 0.0 110.171 175.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -98.83 20.34 13.3 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-N 120.492 2.146 . . . . 0.0 115.933 -169.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.41 136.15 7.27 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 130.035 3.334 . . . . 0.0 109.945 -177.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 73.0 mtm -93.7 134.37 36.09 Favored 'General case' 0 CA--C 1.593 2.616 0 N-CA-C 104.474 -2.417 . . . . 0.0 104.474 168.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.7 mm -90.87 148.94 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.152 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 161.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.508 ' CE2' ' HB2' ' A' ' 71' ' ' ALA . 70.4 m-85 -137.0 144.15 43.15 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 114.963 -2.446 . . . . 0.0 112.995 -165.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.1 m -140.86 172.43 12.7 Favored 'General case' 0 C--O 1.201 -1.486 0 C-N-CA 131.589 3.956 . . . . 0.0 109.167 -154.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.69 164.35 12.23 Favored 'General case' 0 C--O 1.2 -1.519 0 C-N-CA 119.343 -0.943 . . . . 0.0 110.648 157.413 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -76.29 -41.85 47.34 Favored 'General case' 0 C--N 1.317 -0.841 0 O-C-N 120.024 -1.672 . . . . 0.0 113.718 174.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.7 p30 -155.77 -173.39 4.51 Favored 'General case' 0 C--O 1.203 -1.366 0 CA-C-O 125.105 2.383 . . . . 0.0 110.037 158.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.0 tp -55.61 -27.98 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.052 0 CA-C-O 114.117 -2.849 . . . . 0.0 116.769 176.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.494 ' CD2' ' CD2' ' B' ' 96' ' ' HIS . 13.1 m80 -59.64 -57.75 11.57 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 126.939 2.649 . . . . 0.0 115.01 169.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -73.56 -34.35 41.85 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.442 0 O-C-N 119.082 -2.261 . . . . 0.0 110.244 -175.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.92 -32.61 66.12 Favored 'General case' 0 CA--C 1.615 3.461 0 CA-C-O 117.449 -1.263 . . . . 0.0 109.935 169.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 86.1 m -83.1 -36.28 24.96 Favored 'General case' 0 C--O 1.173 -2.922 0 CA-C-O 116.127 -1.892 . . . . 0.0 111.887 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 49.0 ttp -50.54 -62.99 1.27 Allowed 'General case' 0 N--CA 1.479 1.023 0 O-C-N 126.638 2.461 . . . . 0.0 110.233 173.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.1 tt -59.21 -37.4 77.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.306 -1.496 . . . . 0.0 113.305 176.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -70.79 -31.2 67.89 Favored 'General case' 0 CA--C 1.488 -1.43 0 CA-C-O 114.323 -2.751 . . . . 0.0 111.337 -176.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -96.28 2.72 53.11 Favored 'General case' 0 C--N 1.291 -1.965 1 CA-C-N 126.601 4.273 . . . . 0.0 113.986 -178.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.502 ' C ' ' H ' ' A' ' 96' ' ' HIS . . . -81.67 -53.33 6.31 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-O 114.127 -2.844 . . . . 0.0 107.663 151.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -61.06 15.34 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 128.645 2.778 . . . . 0.0 115.494 168.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.502 ' H ' ' C ' ' A' ' 94' ' ' ALA . 0.8 OUTLIER -128.99 -13.31 4.58 Favored 'General case' 0 C--O 1.186 -2.278 0 C-N-CA 129.091 2.956 . . . . 0.0 115.286 -179.642 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.538 ' CE1' ' HE1' ' A' ' 100' ' ' HIS . 19.1 t60 -116.3 -7.32 11.78 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 125.478 1.511 . . . . 0.0 113.799 169.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.641 ' HB2' HG13 ' B' ' 16' ' ' VAL . . . -54.44 -31.99 56.62 Favored 'General case' 0 CA--C 1.566 1.589 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 164.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -145.1 151.39 38.42 Favored 'General case' 0 N--CA 1.412 -2.363 0 C-N-CA 125.489 1.516 . . . . 0.0 110.742 174.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.538 ' HE1' ' CE1' ' A' ' 97' ' ' HIS . 17.2 m170 -129.28 53.57 11.91 Favored Pre-proline 0 C--O 1.25 1.129 0 O-C-N 127.127 2.767 . . . . 0.0 111.48 -175.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -70.79 171.68 15.12 Favored 'Trans proline' 0 C--O 1.284 2.779 0 CA-C-O 127.178 2.907 . . . . 0.0 115.24 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -77.92 118.18 19.98 Favored 'General case' 0 C--N 1.375 1.706 0 CA-C-N 112.104 -2.316 . . . . 0.0 111.571 169.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 CA--C 1.572 1.802 0 O-C-N 118.935 -2.353 . . . . 0.0 115.012 -179.668 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 34.9 m120 . . . . . 0 N--CA 1.409 -2.494 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 36.7 p -141.68 6.88 1.86 Allowed 'General case' 0 C--O 1.249 1.038 0 C-N-CA 126.192 1.797 . . . . 0.0 113.04 -166.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 49.51 -42.13 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.56 1 C-N-CA 133.132 4.573 . . . . 0.0 115.725 -165.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 63.4 p -114.56 -52.94 2.69 Favored 'General case' 0 C--O 1.252 1.185 0 O-C-N 125.87 1.981 . . . . 0.0 116.107 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.21 -48.06 24.21 Favored 'General case' 0 N--CA 1.511 2.608 0 O-C-N 117.053 -3.53 . . . . 0.0 120.125 -170.159 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -66.52 5.11 0.63 Allowed 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 128.195 2.598 . . . . 0.0 115.409 174.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.97 -22.82 2.03 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 113.858 -1.519 . . . . 0.0 108.715 -174.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.641 HG13 ' HB2' ' A' ' 98' ' ' ALA . 25.7 m -93.52 -6.22 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.614 0 O-C-N 118.388 -2.695 . . . . 0.0 115.657 165.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 54.3 p -64.03 -29.92 71.03 Favored 'General case' 0 CA--C 1.577 1.988 0 N-CA-C 105.923 -1.88 . . . . 0.0 105.923 167.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -54.01 -39.17 65.87 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 124.726 1.211 . . . . 0.0 113.867 165.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.523 HD12 HG12 ' B' ' 16' ' ' VAL . 53.9 mt -86.12 -57.75 4.04 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.193 0 CA-C-O 123.649 1.69 . . . . 0.0 110.74 177.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -78.74 -12.69 60.03 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 119.527 -1.983 . . . . 0.0 110.447 -156.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.5 pttm -83.08 -36.67 24.7 Favored 'General case' 0 C--O 1.243 0.761 1 O-C-N 116.254 -4.029 . . . . 0.0 114.272 159.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.27 -14.4 62.96 Favored 'General case' 0 C--O 1.207 -1.177 0 CA-C-O 123.803 1.763 . . . . 0.0 115.331 -170.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 22.6 mt -65.55 -11.36 43.15 Favored 'General case' 0 CA--C 1.575 1.93 0 CA-C-N 110.892 -2.867 . . . . 0.0 118.028 -174.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.2 35.76 0.31 Allowed Glycine 0 CA--C 1.559 2.833 0 C-N-CA 130.486 3.898 . . . . 0.0 116.354 -173.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -144.29 127.86 17.06 Favored 'General case' 0 N--CA 1.508 2.471 0 CA-C-N 120.441 2.12 . . . . 0.0 105.472 161.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -29.43 69.43 Favored 'General case' 0 CA--C 1.595 2.682 0 O-C-N 118.991 -2.318 . . . . 0.0 106.86 -177.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -72.04 -41.03 67.96 Favored 'General case' 0 CA--C 1.577 1.982 0 O-C-N 119.216 -2.178 . . . . 0.0 109.499 -172.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.419 ' HA ' HD12 ' B' ' 31' ' ' ILE . 95.3 mtt180 -50.57 -35.45 29.99 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 125.486 2.565 . . . . 0.0 114.776 167.42 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 13.8 mm -91.34 -28.4 4.78 Favored 'Isoleucine or valine' 0 C--O 1.261 1.695 0 CA-C-N 111.85 -2.432 . . . . 0.0 111.008 -169.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . 0.31 11.5 ttt180 -70.32 -33.54 71.63 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 118.75 -2.469 . . . . 0.0 108.374 171.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' B' ' 28' ' ' ARG . 26.2 mt -52.93 -47.58 52.84 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.606 0 O-C-N 124.65 1.219 . . . . 0.0 113.868 161.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 75.7 mtm -97.08 -33.52 11.49 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-N 121.699 2.045 . . . . 0.0 112.169 -158.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -34.75 -63.92 0.29 Allowed 'General case' 0 CA--C 1.572 1.804 0 O-C-N 125.33 1.644 . . . . 0.0 112.987 140.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.634 ' C ' HD13 ' B' ' 34' ' ' LEU . 1.2 tm? -57.93 -44.47 86.93 Favored 'General case' 0 C--N 1.365 1.258 0 CA-C-N 121.149 1.795 . . . . 0.0 115.356 -178.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.538 ' N ' HD13 ' B' ' 34' ' ' LEU . 79.6 mt -58.92 -33.51 70.66 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-O 126.707 3.146 . . . . 0.0 110.178 -172.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' SER . . . . . 0.445 ' HB3' HD11 ' B' ' 82' ' ' LEU . 6.0 p -66.19 -17.86 64.99 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 112.089 -2.323 . . . . 0.0 113.831 -172.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 35.4 m -106.88 -47.85 8.37 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.601 0 O-C-N 127.355 2.91 . . . . 0.0 117.622 165.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 33.1 m -140.47 137.36 33.82 Favored 'General case' 0 CA--C 1.494 -1.197 0 CA-C-N 123.483 2.856 . . . . 0.0 110.981 158.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.99 144.17 53.87 Favored 'General case' 0 C--O 1.293 3.38 0 CA-C-O 117.662 -1.161 . . . . 0.0 111.391 -176.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -140.54 157.23 45.79 Favored 'General case' 0 CA--C 1.602 2.946 0 CA-C-N 119.994 1.27 . . . . 0.0 108.481 166.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 26.6 t -117.18 156.89 26.9 Favored 'General case' 0 N--CA 1.424 -1.751 0 C-N-CA 125.546 1.539 . . . . 0.0 113.727 169.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 99.5 t -16.86 -56.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.137 1 C-N-CA 132.228 4.211 . . . . 0.0 113.565 -171.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.75 -46.67 7.69 Favored Glycine 0 N--CA 1.494 2.512 0 CA-C-N 122.337 2.335 . . . . 0.0 110.146 -169.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 -55.6 -50.73 69.34 Favored 'General case' 0 CA--C 1.567 1.603 0 CA-C-O 115.856 -2.021 . . . . 0.0 113.075 168.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.851 HG23 HD13 ' B' ' 49' ' ' LEU . 55.7 mt -56.07 -47.63 80.11 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 CA-C-N 122.669 2.486 . . . . 0.0 108.791 177.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 72.3 m -56.22 -32.17 64.18 Favored 'General case' 0 CA--C 1.604 3.021 0 O-C-N 118.105 -2.872 . . . . 0.0 115.204 174.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.44 -53.7 7.33 Favored 'General case' 0 CA--C 1.585 2.313 0 C-N-CA 116.528 -2.069 . . . . 0.0 113.153 167.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -57.56 -34.38 69.13 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.24 2.216 . . . . 0.0 114.809 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.851 HD13 HG23 ' B' ' 45' ' ' ILE . 6.0 mp -111.48 8.89 21.27 Favored 'General case' 0 C--N 1.269 -2.913 0 C-N-CA 128.666 2.786 . . . . 0.0 113.524 -177.314 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 35.2 m120 42.24 56.42 3.65 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-O 123.847 1.784 . . . . 0.0 109.64 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 14.7 mt -115.35 168.59 9.84 Favored 'General case' 0 C--N 1.358 0.962 0 O-C-N 118.72 -2.487 . . . . 0.0 105.031 171.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.1 t -68.74 140.14 55.36 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 120.552 3.538 . . . . 0.0 120.552 161.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -60.92 -39.74 90.55 Favored 'General case' 0 C--O 1.211 -0.93 0 C-N-CA 124.661 1.184 . . . . 0.0 110.6 177.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.4 -22.1 66.75 Favored 'General case' 0 C--O 1.254 1.303 0 C-N-CA 125.181 1.392 . . . . 0.0 114.325 170.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . 0.256 14.9 t-20 -76.97 -48.92 16.7 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 126.586 1.955 . . . . 0.0 106.466 177.095 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.2 t -79.43 -25.29 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.969 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -178.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 60.4 m -56.89 -2.57 0.09 Allowed 'General case' 0 N--CA 1.513 2.679 0 O-C-N 118.584 -2.572 . . . . 0.0 113.378 165.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -129.24 -37.91 1.62 Allowed 'General case' 0 N--CA 1.511 2.614 0 O-C-N 120.442 -1.412 . . . . 0.0 112.808 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -79.76 -33.82 40.34 Favored 'General case' 0 C--O 1.208 -1.088 0 O-C-N 128.047 3.342 . . . . 0.0 108.74 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.562 HD21 ' CG ' ' B' ' 80' ' ' TYR . 13.0 tp -65.63 -31.63 72.76 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 172.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -71.16 -39.53 71.86 Favored 'General case' 0 C--O 1.272 2.246 0 N-CA-C 117.697 2.48 . . . . 0.0 117.697 168.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.418 HD13 ' C ' ' B' ' 62' ' ' LEU . 1.4 tm? -55.24 -52.81 62.2 Favored 'General case' 0 CA--C 1.491 -1.32 0 CA-C-O 122.397 1.094 . . . . 0.0 111.787 170.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.41 ' N ' HD13 ' B' ' 62' ' ' LEU . 19.6 mt -60.03 -37.19 79.05 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 125.809 1.644 . . . . 0.0 113.505 -174.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -59.22 -54.28 48.7 Favored 'General case' 0 C--O 1.206 -1.223 1 CA-C-N 107.947 -4.206 . . . . 0.0 112.574 172.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . 0.266 5.4 m -58.97 -14.34 9.01 Favored 'General case' 0 N--CA 1.518 2.975 0 CA-C-O 114.149 -2.834 . . . . 0.0 112.583 170.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . 0.25 29.5 m -121.81 28.24 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.931 0 CA-C-N 124.749 3.431 . . . . 0.0 110.153 177.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . 0.323 13.8 m170 70.02 -0.64 2.68 Favored 'General case' 0 C--O 1.264 1.841 0 O-C-N 118.201 -2.812 . . . . 0.0 117.698 155.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 3.6 mp -84.32 -16.69 42.08 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-N 124.071 3.123 . . . . 0.0 117.358 165.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 t -117.17 143.24 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 127.82 2.448 . . . . 0.0 111.902 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -127.21 153.47 46.05 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 127.233 2.213 . . . . 0.0 109.522 158.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' ALA . . . . . 0.404 ' HB1' ' SD ' ' B' ' 78' ' ' MET . . . -101.76 148.35 25.39 Favored 'General case' 0 CA--C 1.564 1.517 0 C-N-CA 129.052 2.941 . . . . 0.0 114.155 162.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 35.8 pttt -139.84 149.27 43.26 Favored 'General case' 0 C--N 1.306 -1.289 0 C-N-CA 126.083 1.753 . . . . 0.0 115.682 173.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -97.23 119.33 35.53 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-O 116.866 -1.54 . . . . 0.0 113.626 178.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 38.5 tp60 -154.67 121.86 5.62 Favored 'General case' 0 N--CA 1.5 2.035 1 C-N-CA 131.8 4.04 . . . . 0.0 108.067 167.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.99 -144.8 30.31 Favored Glycine 0 C--O 1.262 1.868 1 C-N-CA 133.434 5.302 . . . . 0.0 114.718 176.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -77.58 -11.38 59.85 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 116.493 2.034 . . . . 0.0 116.493 -176.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 42.2 p -129.11 -177.33 4.18 Favored 'General case' 0 C--O 1.252 1.206 0 C-N-CA 127.506 2.322 . . . . 0.0 112.134 -177.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.404 ' SD ' ' HB1' ' B' ' 71' ' ' ALA . 38.0 ttm -109.32 128.6 55.22 Favored 'General case' 0 C--N 1.378 1.829 0 C-N-CA 127.886 2.474 . . . . 0.0 106.048 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 15.9 mm -101.17 145.88 10.58 Favored 'Isoleucine or valine' 0 C--O 1.265 1.874 0 CA-C-N 124.878 3.49 . . . . 0.0 103.877 -174.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' TYR . . . . . 0.562 ' CG ' HD21 ' B' ' 60' ' ' LEU . 61.3 m-85 -123.1 135.37 54.35 Favored 'General case' 0 CA--C 1.59 2.502 0 O-C-N 116.773 -3.704 . . . . 0.0 110.165 -174.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.18 177.71 4.63 Favored 'General case' 0 CA--C 1.483 -1.607 0 C-N-CA 131.564 3.946 . . . . 0.0 115.66 -174.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.688 HD13 ' HB2' ' B' ' 88' ' ' ALA . 22.7 mt -75.35 142.39 43.18 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 127.922 2.489 . . . . 0.0 104.992 155.279 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -69.9 -53.3 18.59 Favored 'General case' 0 C--N 1.388 2.251 0 CA-C-N 119.434 1.016 . . . . 0.0 110.917 -174.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . 0.275 3.9 p30 -138.73 171.4 14.4 Favored 'General case' 0 CA--C 1.624 3.804 0 CA-C-O 126.682 3.134 . . . . 0.0 111.358 141.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.417 ' H ' HG13 ' B' ' 85' ' ' ILE . 2.5 pp -66.4 0.95 0.68 Allowed 'Isoleucine or valine' 0 C--O 1.215 -0.726 0 N-CA-C 117.448 2.388 . . . . 0.0 117.448 175.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -57.55 -58.25 9.11 Favored 'General case' 0 C--N 1.362 1.144 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 161.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 3.4 m -75.15 -23.92 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 120.851 -1.156 . . . . 0.0 111.694 -170.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.688 ' HB2' HD13 ' B' ' 82' ' ' LEU . . . -61.58 -37.38 83.63 Favored 'General case' 0 C--O 1.19 -2.039 0 CA-C-O 121.841 0.829 . . . . 0.0 109.871 171.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 61.3 m -73.15 -44.67 59.71 Favored 'General case' 0 C--O 1.259 1.598 0 CA-C-O 114.951 -2.452 . . . . 0.0 109.391 178.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -47.36 -46.47 25.76 Favored 'General case' 0 C--O 1.255 1.369 0 CA-C-N 121.371 1.896 . . . . 0.0 111.565 167.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.441 HD23 HD13 ' B' ' 95' ' ' ILE . 5.5 tt -75.55 -48.55 21.94 Favored 'General case' 0 N--CA 1.418 -2.072 0 O-C-N 124.138 0.899 . . . . 0.0 111.961 -168.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -52.68 -35.48 55.34 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 115.667 -2.111 . . . . 0.0 115.398 167.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -77.84 -24.12 48.73 Favored 'General case' 0 N--CA 1.511 2.624 0 O-C-N 126.142 2.151 . . . . 0.0 111.061 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.14 -52.46 12.46 Favored 'General case' 0 CA--C 1.598 2.793 0 CA-C-O 114.634 -2.603 . . . . 0.0 109.971 174.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.441 HD13 HD23 ' B' ' 91' ' ' LEU . 1.6 mp -44.38 -47.65 2.38 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.875 0 C-N-CA 126.293 1.837 . . . . 0.0 111.201 161.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 96' ' ' HIS . . . . . 0.494 ' CD2' ' CD2' ' A' ' 86' ' ' HIS . 3.7 t60 -65.44 -49.37 69.41 Favored 'General case' 0 CA--C 1.576 1.943 0 O-C-N 124.116 0.885 . . . . 0.0 113.064 -173.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -64.35 -20.44 66.11 Favored 'General case' 0 CA--C 1.583 2.216 0 CA-C-O 114.474 -2.679 . . . . 0.0 116.652 174.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.444 ' HB1' ' HG2' ' A' ' 15' ' ' ARG . . . -95.91 0.96 52.62 Favored 'General case' 0 CA--C 1.571 1.783 0 CA-C-N 121.377 1.898 . . . . 0.0 111.229 174.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -144.56 62.72 1.32 Allowed 'General case' 0 C--O 1.265 1.91 0 O-C-N 119.254 -2.154 . . . . 0.0 110.876 172.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 67.6 m170 -53.75 125.37 46.32 Favored Pre-proline 0 CA--C 1.557 1.214 0 CA-C-O 115.96 -1.971 . . . . 0.0 107.583 172.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -70.48 -2.49 10.78 Favored 'Trans proline' 0 C--O 1.262 1.723 0 CA-C-N 125.737 3.085 . . . . 0.0 119.368 -170.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -149.05 144.8 26.93 Favored 'General case' 0 C--N 1.369 1.444 0 O-C-N 120.442 -1.411 . . . . 0.0 108.393 158.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 . . . . . 0 CA--C 1.582 2.205 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -174.565 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 . . . . . 0 CA--C 1.541 0.63 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.0 p -142.44 -33.43 0.47 Allowed 'General case' 0 N--CA 1.5 2.038 0 CA-C-O 113.275 -3.25 . . . . 0.0 112.212 175.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.298 11.9 m-20 60.13 -49.37 0.09 Allowed 'General case' 0 C--N 1.382 2.018 0 O-C-N 128.22 3.45 . . . . 0.0 118.135 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.9 p -127.6 -20.71 3.91 Favored 'General case' 0 N--CA 1.425 -1.696 0 O-C-N 118.582 -2.574 . . . . 0.0 109.006 170.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -56.41 -33.08 65.45 Favored 'General case' 0 C--O 1.18 -2.561 0 C-N-CA 129.869 3.268 . . . . 0.0 116.207 -162.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -71.53 -28.09 63.64 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 105.531 -2.026 . . . . 0.0 105.531 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -84.72 -5.29 59.31 Favored 'General case' 0 C--O 1.209 -1.049 0 CA-C-O 121.908 0.861 . . . . 0.0 112.246 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.475 HG12 ' CZ ' ' A' ' 20' ' ' PHE . 11.3 t -100.01 -38.63 6.74 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.317 0 C-N-CA 127.054 2.142 . . . . 0.0 107.773 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.7 p -72.26 -14.9 61.89 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 119.072 -2.267 . . . . 0.0 106.272 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -64.78 -35.99 82.88 Favored 'General case' 0 N--CA 1.514 2.738 0 N-CA-C 104.829 -2.285 . . . . 0.0 104.829 169.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.388 2.1 pp -102.93 21.46 2.59 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 CA-C-O 113.35 -3.214 . . . . 0.0 112.426 -177.198 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.475 ' CZ ' HG12 ' A' ' 16' ' ' VAL . 8.3 m-85 -107.93 -27.69 10.04 Favored 'General case' 0 CA--C 1.564 1.491 0 CA-C-N 122.864 2.575 . . . . 0.0 112.415 161.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -77.91 69.65 4.17 Favored 'General case' 0 C--O 1.274 2.377 0 CA-C-O 127.801 3.667 . . . . 0.0 107.727 161.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -169.67 -42.21 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 110.829 -2.896 . . . . 0.0 109.682 -174.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.3 mt -75.47 -128.48 0.01 OUTLIER 'General case' 0 CA--C 1.58 2.134 0 C-N-CA 129.662 3.185 . . . . 0.0 108.472 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.46 7.35 7.39 Favored Glycine 2 N--CA 1.529 4.893 0 N-CA-C 121.854 3.502 . . . . 0.0 121.854 169.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . 0.362 49.9 t0 -137.89 160.64 38.76 Favored 'General case' 0 N--CA 1.503 2.189 0 C-N-CA 126.393 1.877 . . . . 0.0 108.992 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -86.32 -68.65 0.72 Allowed 'General case' 0 C--O 1.28 2.708 0 CA-C-O 126.738 3.161 . . . . 0.0 117.358 -171.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -56.57 -51.71 67.58 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 117.133 -3.48 . . . . 0.0 107.345 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -27.02 -35.7 0.01 OUTLIER 'General case' 0 C--O 1.195 -1.8 0 N-CA-C 118.614 2.82 . . . . 0.0 118.614 171.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.421 HG13 HD11 ' B' ' 13' ' ' LEU 0.265 2.3 pt -111.53 -21.2 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.637 0 CA-C-O 113.945 -2.931 . . . . 0.0 113.693 173.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.9 ttp85 -57.52 -16.73 10.7 Favored 'General case' 0 N--CA 1.519 2.989 0 O-C-N 125.456 1.722 . . . . 0.0 111.768 162.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.6 mt -84.86 -34.46 9.1 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.899 0 O-C-N 120.022 -1.674 . . . . 0.0 112.28 176.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.1 mtm -84.21 -34.13 23.99 Favored 'General case' 0 CA--C 1.578 2.043 0 O-C-N 117.202 -3.436 . . . . 0.0 112.292 -175.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.44 ' HA ' HD22 ' A' ' 91' ' ' LEU . 1.5 tm-20 -37.81 -39.74 0.38 Allowed 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 150.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.489 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.5 tm? -83.38 -49.82 8.96 Favored 'General case' 0 C--O 1.197 -1.69 0 O-C-N 119.06 -2.275 . . . . 0.0 112.972 177.086 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.421 HD23 ' H ' ' A' ' 40' ' ' ALA . 85.2 mt -53.8 -28.28 34.18 Favored 'General case' 0 C--O 1.262 1.74 0 O-C-N 118.635 -2.54 . . . . 0.0 114.792 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.2 m -57.09 -16.62 7.9 Favored 'General case' 0 CA--C 1.569 1.68 0 O-C-N 127.948 3.28 . . . . 0.0 119.141 169.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.2 m -125.26 -25.01 1.77 Allowed 'Isoleucine or valine' 0 C--O 1.301 3.777 0 O-C-N 128.142 3.401 . . . . 0.0 113.155 172.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.4 m -153.31 113.19 3.9 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 117.719 -3.113 . . . . 0.0 110.087 165.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -55.06 117.98 3.93 Favored 'General case' 0 C--O 1.269 2.096 0 C-N-CA 125.377 1.471 . . . . 0.0 112.845 174.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.421 ' H ' HD23 ' A' ' 35' ' ' LEU . . . -129.82 160.46 33.41 Favored 'General case' 0 N--CA 1.423 -1.791 0 C-N-CA 127.939 2.496 . . . . 0.0 113.185 -175.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.416 ' HB2' ' HA ' ' A' ' 79' ' ' ILE . 29.0 t -129.47 158.91 37.88 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 117.565 -3.209 . . . . 0.0 111.381 -178.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.404 HG23 ' H ' ' A' ' 42' ' ' VAL . 4.6 t -23.54 -53.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.527 3.386 0 C-N-CA 129.351 3.06 . . . . 0.0 118.198 -173.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.67 -52.85 49.49 Favored Glycine 0 CA--C 1.469 -2.809 0 CA-C-O 116.653 -2.193 . . . . 0.0 113.428 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -69.86 -36.71 75.73 Favored 'General case' 0 C--N 1.401 2.823 0 C-N-CA 127.824 2.45 . . . . 0.0 110.024 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . 0.271 96.1 mt -51.79 -60.7 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.19 -2.067 0 O-C-N 119.522 -1.986 . . . . 0.0 113.23 175.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.0 m -55.92 -6.76 0.25 Allowed 'General case' 0 C--O 1.24 0.589 0 CA-C-N 111.519 -2.582 . . . . 0.0 115.519 -173.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -124.97 -34.51 2.78 Favored 'General case' 0 C--N 1.373 1.589 0 O-C-N 119.326 -2.109 . . . . 0.0 113.921 -176.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -79.56 -34.75 40.68 Favored 'General case' 0 C--O 1.254 1.294 0 C-N-CA 126.868 2.067 . . . . 0.0 112.05 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.0 mp -103.81 9.34 37.0 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 117.95 -1.024 . . . . 0.0 111.38 171.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.297 2.3 m120 41.64 64.35 1.07 Allowed 'General case' 0 C--N 1.309 -1.168 1 C-N-CA 134.965 5.306 . . . . 0.0 116.371 -174.686 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.2 mt -106.03 -125.18 0.23 Allowed 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 116.817 -1.563 . . . . 0.0 110.494 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.8 p -163.88 154.85 15.92 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 122.027 2.194 . . . . 0.0 107.16 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -69.3 -44.09 72.47 Favored 'General case' 0 C--N 1.364 1.23 0 O-C-N 119.662 -1.899 . . . . 0.0 112.767 -165.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . 0.321 0.8 OUTLIER -67.11 -29.24 68.93 Favored 'General case' 0 CA--C 1.561 1.401 0 O-C-N 128.313 3.508 . . . . 0.0 109.171 178.903 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -71.86 -38.93 69.99 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 121.84 2.109 . . . . 0.0 106.358 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.1 t -82.68 -31.51 9.47 Favored 'Isoleucine or valine' 0 C--O 1.253 1.242 0 CA-C-O 117.439 -1.267 . . . . 0.0 111.886 -175.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.5 m -62.34 8.13 0.05 Allowed 'General case' 0 C--N 1.283 -2.306 0 O-C-N 125.167 1.542 . . . . 0.0 112.764 171.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -128.36 -37.24 1.85 Allowed 'General case' 0 CA--C 1.593 2.604 0 C-N-CA 128.53 2.732 . . . . 0.0 109.832 175.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -89.67 -43.69 10.55 Favored 'General case' 0 CA--C 1.585 2.301 0 CA-C-O 115.939 -1.981 . . . . 0.0 108.296 -168.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 tp -46.62 -55.27 7.93 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-N 119.004 0.82 . . . . 0.0 112.038 158.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -62.46 -35.17 78.47 Favored 'General case' 0 N--CA 1.444 -0.771 0 O-C-N 118.703 -2.498 . . . . 0.0 113.365 -178.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.449 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -67.89 -54.94 14.93 Favored 'General case' 0 C--N 1.292 -1.894 0 CA-C-N 120.353 1.433 . . . . 0.0 112.732 174.824 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.449 ' N ' HD13 ' A' ' 62' ' ' LEU . 45.9 mt -53.8 -30.26 44.17 Favored 'General case' 0 CA--C 1.567 1.607 0 O-C-N 126.565 2.415 . . . . 0.0 112.572 -173.162 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -52.68 -43.23 65.44 Favored 'General case' 0 CA--C 1.484 -1.589 0 C-N-CA 130.726 3.611 . . . . 0.0 115.5 171.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.1 m -82.29 -13.96 56.15 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 125.963 1.705 . . . . 0.0 109.471 -173.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.3 m -115.16 20.02 6.95 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.691 0 CA-C-O 117.177 -1.392 . . . . 0.0 113.393 -177.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.404 16.4 p80 60.08 24.37 13.61 Favored 'General case' 0 C--O 1.258 1.55 0 C-N-CA 129.162 2.985 . . . . 0.0 118.316 166.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.9 mp -97.08 -13.68 22.05 Favored 'General case' 0 CA--C 1.575 1.938 0 O-C-N 119.372 -2.08 . . . . 0.0 111.037 167.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.2 t -133.55 149.38 30.99 Favored 'Isoleucine or valine' 0 CA--C 1.62 3.662 0 O-C-N 128.4 3.563 . . . . 0.0 113.78 -174.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -152.24 116.49 4.97 Favored 'General case' 0 C--N 1.365 1.262 1 O-C-N 129.198 4.061 . . . . 0.0 108.969 -172.359 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.637 ' HB2' ' CZ ' ' A' ' 80' ' ' TYR . . . -69.04 157.83 36.01 Favored 'General case' 0 N--CA 1.509 2.521 0 N-CA-C 117.07 2.248 . . . . 0.0 117.07 168.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -161.5 156.76 23.94 Favored 'General case' 0 C--O 1.2 -1.514 0 O-C-N 126.817 2.573 . . . . 0.0 114.046 168.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -97.17 104.68 16.72 Favored 'General case' 0 C--O 1.21 -0.999 0 O-C-N 119.028 -2.295 . . . . 0.0 113.98 -174.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -115.22 100.88 8.46 Favored 'General case' 0 N--CA 1.51 2.569 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 174.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.23 -146.86 29.56 Favored Glycine 0 N--CA 1.436 -1.35 0 CA-C-O 125.207 2.56 . . . . 0.0 107.109 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -67.27 12.07 0.1 Allowed 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 119.379 3.103 . . . . 0.0 119.379 169.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.1 m -141.65 154.34 45.3 Favored 'General case' 0 CA--C 1.447 -2.999 0 C-N-CA 126.862 2.065 . . . . 0.0 116.462 -171.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 97.7 mmm -103.36 108.72 20.06 Favored 'General case' 0 N--CA 1.522 3.134 0 N-CA-C 102.477 -3.157 . . . . 0.0 102.477 -178.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.416 ' HA ' ' HB2' ' A' ' 41' ' ' SER 0.349 21.6 mm -91.99 138.96 18.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 C-N-CA 125.916 1.686 . . . . 0.0 110.634 -175.476 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.637 ' CZ ' ' HB2' ' A' ' 71' ' ' ALA . 15.0 m-85 -118.18 145.0 45.27 Favored 'General case' 0 N--CA 1.438 -1.026 1 O-C-N 114.286 -5.259 . . . . 0.0 112.069 -174.515 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . 0.256 26.1 m -130.85 169.41 15.79 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 130.229 3.412 . . . . 0.0 114.854 -177.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -55.24 147.32 16.84 Favored 'General case' 0 N--CA 1.52 3.051 0 C-N-CA 124.088 0.955 . . . . 0.0 108.965 154.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.27 -46.57 89.37 Favored 'General case' 0 N--CA 1.527 3.384 0 O-C-N 124.811 1.32 . . . . 0.0 110.408 174.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -158.14 165.13 35.74 Favored 'General case' 0 N--CA 1.412 -2.326 0 CA-C-N 121.941 2.155 . . . . 0.0 115.044 169.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.9 tp -46.52 -25.7 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.586 2.359 0 O-C-N 116.876 -3.64 . . . . 0.0 115.582 172.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -57.21 -52.87 63.58 Favored 'General case' 0 C--O 1.272 2.237 2 CA-C-N 128.027 4.921 . . . . 0.0 110.649 170.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.99 -32.61 52.08 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.288 0 CA-C-O 117.866 -1.064 . . . . 0.0 113.098 -178.104 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.51 -41.16 72.7 Favored 'General case' 0 CA--C 1.589 2.454 0 O-C-N 124.508 1.13 . . . . 0.0 112.283 168.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.1 m -71.36 -47.49 56.01 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 113.596 -1.638 . . . . 0.0 107.204 -169.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.417 ' HA ' ' HG2' ' B' ' 90' ' ' MET . 26.9 ttp -38.85 -51.73 1.74 Allowed 'General case' 0 C--O 1.197 -1.695 0 C-N-CA 126.164 1.786 . . . . 0.0 111.663 171.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 33' ' ' GLU . 6.0 tt -81.79 -34.36 30.38 Favored 'General case' 0 CA--C 1.484 -1.564 0 O-C-N 120.829 -1.169 . . . . 0.0 112.612 -173.323 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.7 tttp -69.81 -44.05 70.81 Favored 'General case' 0 C--O 1.191 -1.983 0 O-C-N 123.96 0.788 . . . . 0.0 110.688 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.413 ' HA ' ' HB2' ' A' ' 96' ' ' HIS . 94.2 mm-40 -72.58 -25.68 61.43 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 178.327 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.407 ' HB2' ' HG3' ' B' ' 90' ' ' MET . . . -74.39 -42.81 58.64 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-O 115.923 -1.989 . . . . 0.0 111.603 167.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.602 HD12 ' CG1' ' B' ' 16' ' ' VAL 0.304 0.4 OUTLIER -45.52 -19.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.903 0 CA-C-O 127.9 3.714 . . . . 0.0 116.77 157.87 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.413 ' HB2' ' HA ' ' A' ' 93' ' ' GLN . 40.7 m-70 -105.21 -12.69 15.98 Favored 'General case' 0 C--O 1.264 1.843 0 O-C-N 117.976 -2.952 . . . . 0.0 111.207 -174.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -92.62 -24.29 18.73 Favored 'General case' 0 C--O 1.253 1.265 0 CA-C-N 122.242 2.292 . . . . 0.0 108.804 167.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.35 -22.95 55.34 Favored 'General case' 0 C--O 1.247 0.957 0 O-C-N 119.16 -2.213 . . . . 0.0 116.339 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -150.37 155.87 40.44 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 125.62 1.825 . . . . 0.0 108.326 171.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -132.66 58.74 38.27 Favored Pre-proline 0 N--CA 1.503 2.214 0 O-C-N 126.839 2.587 . . . . 0.0 114.811 -175.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -90.98 158.35 3.95 Favored 'Trans proline' 0 C--N 1.394 2.96 0 N-CA-C 120.145 3.094 . . . . 0.0 120.145 -147.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . 0.343 50.3 tttm -73.36 137.45 44.73 Favored 'General case' 0 CA--C 1.543 0.694 1 C-N-CA 134.948 5.299 . . . . 0.0 108.689 163.241 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 C--O 1.265 1.875 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 173.386 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 C--O 1.198 -1.628 0 CA-C-O 122.436 1.112 . . . . 0.0 113.435 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 32.4 p -138.31 -14.53 1.31 Allowed 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 112.251 -2.25 . . . . 0.0 114.628 -168.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 48.69 -8.41 0.0 OUTLIER 'General case' 0 CA--C 1.566 1.568 0 C-N-CA 129.667 3.187 . . . . 0.0 115.83 -164.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.513 ' HB ' HG13 ' A' ' 95' ' ' ILE . 38.8 p -138.28 -76.02 0.38 Allowed 'General case' 0 N--CA 1.524 3.241 0 C-N-CA 130.361 3.464 . . . . 0.0 109.174 -152.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.465 HD22 HD11 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -54.31 -53.91 47.48 Favored 'General case' 0 N--CA 1.415 -2.193 0 CA-C-N 120.937 1.699 . . . . 0.0 115.429 177.258 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -71.15 14.72 0.14 Allowed 'General case' 0 N--CA 1.522 3.137 0 C-N-CA 117.625 -1.63 . . . . 0.0 113.452 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.66 -23.0 4.12 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 118.277 2.695 . . . . 0.0 118.277 164.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.602 ' CG1' HD12 ' A' ' 95' ' ' ILE . 20.9 m -80.83 -16.16 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.138 0 CA-C-N 120.87 1.668 . . . . 0.0 113.606 168.193 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 3.8 p -49.93 -42.38 48.26 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 125.17 1.388 . . . . 0.0 107.701 166.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -55.35 -44.72 76.22 Favored 'General case' 0 C--O 1.287 3.059 0 N-CA-C 117.752 2.501 . . . . 0.0 117.752 169.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 22.7 mt -77.84 -66.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.37 1.486 0 O-C-N 119.5 -2.0 . . . . 0.0 113.268 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-30 -51.02 -34.15 28.2 Favored 'General case' 0 N--CA 1.514 2.769 0 C-N-CA 128.037 2.535 . . . . 0.0 115.041 -167.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 29.9 pttt -77.75 -35.67 51.53 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 125.673 1.858 . . . . 0.0 113.899 175.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.78 3.46 19.45 Favored 'General case' 0 C--O 1.264 1.857 0 O-C-N 128.307 3.504 . . . . 0.0 119.715 -168.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 mt -81.64 -11.88 58.92 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 130.562 3.545 . . . . 0.0 111.46 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.94 24.04 0.25 Allowed Glycine 0 CA--C 1.548 2.151 1 N-CA-C 123.235 4.054 . . . . 0.0 123.235 -165.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -129.85 127.19 39.75 Favored 'General case' 0 CA--C 1.501 -0.907 0 C-N-CA 128.159 2.584 . . . . 0.0 106.895 171.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -65.32 -24.44 67.28 Favored 'General case' 0 N--CA 1.439 -1.021 0 O-C-N 124.792 1.307 . . . . 0.0 108.531 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.409 ' O ' HD12 ' B' ' 31' ' ' ILE . 51.4 m-80 -67.55 -44.51 78.1 Favored 'General case' 0 N--CA 1.503 2.192 1 O-C-N 116.182 -4.074 . . . . 0.0 109.399 -178.381 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -56.89 -31.22 64.65 Favored 'General case' 0 CA--C 1.511 -0.545 0 O-C-N 126.558 2.411 . . . . 0.0 110.991 178.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 33.7 mm -97.6 -38.55 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.555 0 CA-C-O 117.811 -1.09 . . . . 0.0 111.206 -167.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 26.7 ttt-85 -67.11 -24.24 65.91 Favored 'General case' 0 CA--C 1.599 2.846 0 CA-C-O 117.689 -1.148 . . . . 0.0 108.064 174.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.413 HG13 HD22 ' B' ' 49' ' ' LEU . 15.6 mt -67.76 -29.48 45.25 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.158 0 CA-C-O 113.664 -3.065 . . . . 0.0 112.0 167.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 75.2 mtm -101.78 -32.12 10.43 Favored 'General case' 0 C--O 1.187 -2.213 0 CA-C-N 124.079 3.127 . . . . 0.0 112.573 -171.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.46 ' N ' HD22 ' B' ' 91' ' ' LEU . 2.7 tm-20 -35.37 -56.63 0.63 Allowed 'General case' 1 N--CA 1.543 4.221 0 C-N-CA 125.2 1.4 . . . . 0.0 112.675 140.35 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.418 HD13 ' N ' ' B' ' 35' ' ' LEU 0.255 0.4 OUTLIER -68.76 -53.94 18.93 Favored 'General case' 0 C--O 1.25 1.115 0 O-C-N 119.83 -1.794 . . . . 0.0 113.788 177.371 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.418 ' N ' HD13 ' B' ' 34' ' ' LEU . 21.4 mt -59.11 -33.42 70.83 Favored 'General case' 0 C--O 1.257 1.488 0 O-C-N 116.997 -3.564 . . . . 0.0 114.805 -170.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 84.3 p -76.38 -9.39 58.61 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 108.638 -3.892 . . . . 0.0 113.063 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 m -111.53 -38.83 3.32 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 O-C-N 117.555 -3.216 . . . . 0.0 114.487 167.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 6.3 t -149.86 130.99 14.45 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 119.759 -1.838 . . . . 0.0 113.601 167.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -80.34 132.26 35.77 Favored 'General case' 0 N--CA 1.51 2.561 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 -169.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -135.23 152.07 51.2 Favored 'General case' 0 CA--C 1.555 1.141 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 171.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.542 ' HB2' ' HA ' ' B' ' 79' ' ' ILE . 23.5 t -92.54 152.83 19.41 Favored 'General case' 0 CA--C 1.48 -1.717 0 O-C-N 127.135 2.772 . . . . 0.0 112.825 168.253 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.404 HG13 ' HB ' ' B' ' 56' ' ' VAL . 2.7 t -17.63 -60.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.362 1.123 0 C-N-CA 126.775 2.03 . . . . 0.0 116.283 170.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.46 -43.15 66.38 Favored Glycine 0 CA--C 1.564 3.155 0 CA-C-O 122.364 0.98 . . . . 0.0 112.857 -176.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 50.7 t60 -89.09 -34.68 16.67 Favored 'General case' 0 C--O 1.191 -1.993 0 CA-C-O 114.4 -2.714 . . . . 0.0 106.708 -175.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.457 HG23 HD13 ' B' ' 49' ' ' LEU . 84.3 mt -53.85 -45.85 63.08 Favored 'Isoleucine or valine' 0 C--N 1.368 1.374 0 CA-C-N 121.002 1.728 . . . . 0.0 112.32 170.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 19.9 m -53.66 -32.86 53.21 Favored 'General case' 0 N--CA 1.405 -2.679 0 CA-C-O 115.123 -2.37 . . . . 0.0 110.893 176.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -83.94 -47.98 10.46 Favored 'General case' 0 N--CA 1.528 3.457 0 CA-C-O 113.51 -3.138 . . . . 0.0 113.112 166.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -71.18 -13.57 61.97 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 121.669 2.031 . . . . 0.0 113.55 -170.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.457 HD13 HG23 ' B' ' 45' ' ' ILE . 5.4 mp -128.4 15.45 6.61 Favored 'General case' 0 C--O 1.186 -2.25 0 O-C-N 116.785 -3.697 . . . . 0.0 115.014 170.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 27.2 m120 50.76 48.74 22.3 Favored 'General case' 0 CA--C 1.595 2.703 0 C-N-CA 127.843 2.457 . . . . 0.0 110.775 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 26.6 mt -101.25 149.75 23.68 Favored 'General case' 0 C--O 1.267 1.986 0 C-N-CA 125.967 1.707 . . . . 0.0 109.674 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 8.2 p -79.1 151.71 31.24 Favored 'General case' 0 C--N 1.301 -1.523 1 O-C-N 114.813 -4.929 . . . . 0.0 114.176 165.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . 0.294 22.2 tt0 -69.98 -38.85 76.14 Favored 'General case' 0 CA--C 1.595 2.71 0 C-N-CA 117.102 -1.839 . . . . 0.0 112.666 -166.287 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 19.9 m -63.9 -22.32 66.87 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -82.49 -52.84 6.48 Favored 'General case' 0 N--CA 1.511 2.582 0 C-N-CA 129.132 2.973 . . . . 0.0 110.261 171.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.404 ' HB ' HG13 ' B' ' 42' ' ' VAL . 47.1 t -64.66 -39.11 84.47 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.999 0 N-CA-C 116.726 2.121 . . . . 0.0 116.726 177.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 16.4 m -47.13 -4.06 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.75 0 C-N-CA 128.513 2.725 . . . . 0.0 113.459 164.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -120.41 -31.84 4.24 Favored 'General case' 0 C--N 1.411 3.248 0 CA-C-O 122.547 1.165 . . . . 0.0 111.471 173.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -94.33 -40.49 9.93 Favored 'General case' 0 CA--C 1.481 -1.691 0 CA-C-O 116.064 -1.922 . . . . 0.0 109.668 -164.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.439 ' HG ' ' CD2' ' B' ' 80' ' ' TYR . 10.3 tp -56.35 -31.34 63.67 Favored 'General case' 0 C--N 1.397 2.672 0 CA-C-O 113.053 -3.356 . . . . 0.0 110.994 161.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . 0.293 88.9 mttt -74.21 -45.22 49.61 Favored 'General case' 0 N--CA 1.417 -2.104 0 CA-C-N 123.45 2.841 . . . . 0.0 113.888 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.454 HD13 ' N ' ' B' ' 63' ' ' LEU . 0.6 OUTLIER -53.0 -50.7 63.65 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 115.653 -2.118 . . . . 0.0 113.257 165.742 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.454 ' N ' HD13 ' B' ' 62' ' ' LEU . 70.3 mt -59.64 -28.91 67.64 Favored 'General case' 0 N--CA 1.504 2.267 0 CA-C-N 122.96 2.618 . . . . 0.0 112.607 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -73.3 -48.61 33.11 Favored 'General case' 0 CA--C 1.56 1.347 0 CA-C-N 111.659 -2.519 . . . . 0.0 104.966 -176.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.4 m -63.8 -32.22 73.66 Favored 'General case' 0 N--CA 1.403 -2.793 0 C-N-CA 127.091 2.156 . . . . 0.0 113.446 177.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.51 HG23 HD12 ' B' ' 68' ' ' LEU . 29.7 m -96.24 8.24 6.87 Favored 'Isoleucine or valine' 1 N--CA 1.553 4.714 0 O-C-N 116.303 -3.998 . . . . 0.0 111.329 172.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 1.5 m170 65.48 16.26 10.43 Favored 'General case' 0 N--CA 1.515 2.809 0 C-N-CA 128.935 2.894 . . . . 0.0 114.742 165.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.51 HD12 HG23 ' B' ' 66' ' ' VAL . 1.9 mp -71.67 -20.34 61.96 Favored 'General case' 0 C--O 1.267 2.013 0 O-C-N 120.225 -1.547 . . . . 0.0 111.282 156.128 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 t -120.51 164.14 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.53 3.541 0 C-N-CA 126.016 1.726 . . . . 0.0 115.482 173.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -147.44 155.87 42.33 Favored 'General case' 0 C--O 1.265 1.891 0 C-N-CA 124.676 1.19 . . . . 0.0 111.657 156.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' ALA . . . . . 0.622 ' HB2' ' CE2' ' B' ' 80' ' ' TYR . . . -88.94 151.04 22.55 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.622 -1.172 . . . . 0.0 112.828 165.075 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -135.7 164.56 27.59 Favored 'General case' 0 CA--C 1.601 2.909 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 160.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -109.82 113.49 26.27 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 106.649 -1.612 . . . . 0.0 106.649 -167.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -156.57 112.1 2.92 Favored 'General case' 0 CA--C 1.596 2.732 0 N-CA-C 104.736 -2.32 . . . . 0.0 104.736 174.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.34 -164.35 30.68 Favored Glycine 0 N--CA 1.469 0.87 0 C-N-CA 127.767 2.603 . . . . 0.0 112.343 -177.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -68.28 -13.88 62.58 Favored 'General case' 0 C--N 1.361 1.104 0 CA-C-O 115.501 -2.19 . . . . 0.0 115.818 -177.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 86.9 p -123.37 168.54 12.39 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 127.811 3.194 . . . . 0.0 109.217 -169.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 22.9 mtm -97.37 133.78 41.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 120.342 -1.474 . . . . 0.0 111.88 168.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.542 ' HA ' ' HB2' ' B' ' 41' ' ' SER . 35.1 mm -92.64 141.96 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 C-N-CA 124.615 1.166 . . . . 0.0 112.502 170.088 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' TYR . . . . . 0.622 ' CE2' ' HB2' ' B' ' 71' ' ' ALA . 59.6 m-85 -116.27 149.31 39.42 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -178.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 9.1 m -148.07 161.64 41.0 Favored 'General case' 0 N--CA 1.436 -1.15 0 O-C-N 126.192 2.183 . . . . 0.0 109.797 -165.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.444 HD22 ' HB2' ' B' ' 88' ' ' ALA . 7.6 mp -62.31 154.64 27.25 Favored 'General case' 0 C--N 1.361 1.099 0 O-C-N 120.292 -1.505 . . . . 0.0 113.212 159.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -70.25 -46.35 64.6 Favored 'General case' 0 N--CA 1.515 2.785 0 O-C-N 119.208 -2.182 . . . . 0.0 113.752 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 13.9 p30 -151.23 175.41 12.21 Favored 'General case' 0 CA--C 1.583 2.214 0 CA-C-O 124.763 2.22 . . . . 0.0 112.912 159.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . 0.331 1.6 pp -49.99 -13.46 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.205 1 N-CA-C 122.104 4.113 . . . . 0.0 122.104 169.973 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -66.68 -52.77 41.03 Favored 'General case' 0 N--CA 1.427 -1.583 1 O-C-N 114.336 -5.228 . . . . 0.0 109.977 -177.219 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.403 ' HA ' ' HB3' ' B' ' 90' ' ' MET . 3.5 m -85.84 -15.59 10.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 O-C-N 120.551 -1.343 . . . . 0.0 111.716 -176.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.444 ' HB2' HD22 ' B' ' 82' ' ' LEU . . . -66.55 -31.55 72.34 Favored 'General case' 0 C--O 1.194 -1.821 0 CA-C-O 123.343 1.544 . . . . 0.0 109.774 166.385 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 24.9 m -84.25 -41.45 16.9 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 114.485 -1.234 . . . . 0.0 108.728 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' MET . . . . . 0.417 ' HG2' ' HA ' ' A' ' 90' ' ' MET . 16.9 tmm? -57.43 -46.65 83.32 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 168.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.46 HD22 ' N ' ' B' ' 33' ' ' GLU . 7.1 tt -67.13 -40.32 86.78 Favored 'General case' 0 N--CA 1.514 2.762 0 CA-C-O 117.107 -1.425 . . . . 0.0 109.17 176.215 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -67.36 -36.08 80.67 Favored 'General case' 0 CA--C 1.578 2.035 0 CA-C-N 122.304 2.32 . . . . 0.0 114.084 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.46 ' HA ' ' HB3' ' B' ' 96' ' ' HIS . 35.8 mm-40 -81.94 -14.61 55.84 Favored 'General case' 0 C--O 1.277 2.534 0 C-N-CA 125.38 1.472 . . . . 0.0 113.407 178.135 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.02 -52.93 14.61 Favored 'General case' 0 C--O 1.206 -1.217 0 CA-C-O 117.746 -1.121 . . . . 0.0 108.587 164.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -54.26 -34.39 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 CA-C-O 116.548 -1.691 . . . . 0.0 108.328 171.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 96' ' ' HIS . . . . . 0.46 ' HB3' ' HA ' ' B' ' 93' ' ' GLN 0.291 0.8 OUTLIER -68.62 -35.76 77.73 Favored 'General case' 0 N--CA 1.431 -1.377 0 C-N-CA 126.079 1.752 . . . . 0.0 113.808 -179.303 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -73.12 -9.54 58.83 Favored 'General case' 0 C--O 1.27 2.142 0 CA-C-O 115.306 -2.283 . . . . 0.0 115.343 163.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -100.65 6.13 43.99 Favored 'General case' 0 N--CA 1.427 -1.614 0 CA-C-N 121.914 2.143 . . . . 0.0 116.099 158.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . 0.266 58.6 t30 -134.09 71.97 1.46 Allowed 'General case' 0 CA--C 1.498 -1.022 0 CA-C-N 119.98 1.264 . . . . 0.0 109.068 -172.437 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 46.5 m170 -92.23 143.38 27.39 Favored Pre-proline 0 C--N 1.309 -1.166 0 C-N-CA 127.449 2.299 . . . . 0.0 114.771 -178.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -77.7 -33.74 2.17 Favored 'Trans proline' 1 CA--C 1.623 4.975 1 C-N-CA 126.21 4.607 . . . . 0.0 113.331 -171.046 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -140.28 155.83 46.7 Favored 'General case' 0 CA--C 1.493 -1.245 0 O-C-N 128.805 3.815 . . . . 0.0 109.027 153.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 C--O 1.187 -2.189 0 CA-C-O 113.323 -3.227 . . . . 0.0 115.028 -175.26 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 m120 . . . . . 0 C--O 1.205 -1.277 0 CA-C-O 122.639 1.209 . . . . 0.0 109.929 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 p -134.0 -40.2 0.85 Allowed 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 116.054 -1.927 . . . . 0.0 112.817 174.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.336 0.8 OUTLIER 63.29 -48.05 0.23 Allowed 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 128.55 2.74 . . . . 0.0 118.077 178.767 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.6 p -144.19 -27.92 0.51 Allowed 'General case' 0 C--N 1.288 -2.1 0 C-N-CA 129.392 3.077 . . . . 0.0 110.82 175.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -41.12 -28.47 0.09 Allowed 'General case' 0 N--CA 1.409 -2.514 2 O-C-N 113.881 -5.512 . . . . 0.0 115.128 -175.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.24 -14.4 59.77 Favored 'General case' 0 C--N 1.271 -2.844 1 CA-C-N 126.628 4.286 . . . . 0.0 113.192 -174.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -104.57 -5.26 21.65 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 112.386 -2.188 . . . . 0.0 112.76 166.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.8 t -83.53 -38.31 14.16 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.376 0 O-C-N 119.343 -2.098 . . . . 0.0 113.062 165.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.1 p -67.4 -22.73 65.53 Favored 'General case' 0 N--CA 1.525 3.283 0 O-C-N 117.891 -3.006 . . . . 0.0 108.376 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -66.82 -14.89 63.18 Favored 'General case' 0 C--O 1.254 1.318 0 C-N-CA 128.829 2.852 . . . . 0.0 111.47 172.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.33 0.6 OUTLIER -110.24 19.1 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.621 0 CA-C-N 124.917 3.508 . . . . 0.0 109.002 175.782 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -119.85 -34.96 3.61 Favored 'General case' 0 C--N 1.365 1.241 0 C-N-CA 127.838 2.455 . . . . 0.0 112.349 170.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -42.48 46.14 0.0 OUTLIER 'General case' 0 CA--C 1.588 2.427 0 C-N-CA 129.239 3.016 . . . . 0.0 112.394 141.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . 0.263 . . -177.11 -34.75 0.01 OUTLIER 'General case' 1 N--CA 1.54 4.029 0 C-N-CA 128.984 2.914 . . . . 0.0 111.988 -173.843 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.1 mt -81.2 -117.47 0.02 OUTLIER 'General case' 0 N--CA 1.422 -1.839 0 C-N-CA 126.803 2.041 . . . . 0.0 114.316 -176.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 42.81 -0.31 0.01 OUTLIER Glycine 0 N--CA 1.513 3.771 1 CA-C-O 112.273 -4.626 . . . . 0.0 122.435 -175.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -134.26 170.65 15.39 Favored 'General case' 0 CA--C 1.58 2.111 1 CA-C-N 125.26 4.53 . . . . 0.0 109.674 -169.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -95.26 -83.87 0.35 Allowed 'General case' 0 C--O 1.198 -1.607 0 O-C-N 119.483 -2.01 . . . . 0.0 109.186 -166.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -59.64 -43.25 93.95 Favored 'General case' 0 C--O 1.287 3.036 0 O-C-N 118.708 -2.495 . . . . 0.0 110.443 -166.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -30.34 -47.29 0.08 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 126.564 2.415 . . . . 0.0 113.682 162.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.3 pt -106.57 -6.01 10.2 Favored 'Isoleucine or valine' 0 C--O 1.276 2.478 1 O-C-N 115.655 -4.403 . . . . 0.0 109.874 -178.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.7 ttp85 -60.47 -22.9 64.02 Favored 'General case' 0 C--N 1.371 1.513 0 N-CA-C 115.467 1.655 . . . . 0.0 115.467 156.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.8 mt -64.72 -51.62 64.92 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.713 1 C-N-CA 132.463 4.305 . . . . 0.0 107.044 164.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 79.0 mtp -85.62 -41.28 15.36 Favored 'General case' 0 CA--C 1.575 1.911 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.127 -156.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.5 ' HA ' HD22 ' A' ' 91' ' ' LEU . 3.9 tm-20 -24.56 -58.85 0.05 Allowed 'General case' 0 C--N 1.394 2.539 0 C-N-CA 128.96 2.904 . . . . 0.0 110.463 144.11 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.482 ' HG ' HD11 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -71.32 -40.85 70.53 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 117.87 -3.018 . . . . 0.0 110.052 -173.012 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.439 ' N ' HD13 ' A' ' 34' ' ' LEU 0.252 79.9 mt -73.26 -21.91 60.51 Favored 'General case' 0 C--O 1.188 -2.134 0 O-C-N 120.041 -1.662 . . . . 0.0 113.817 -179.51 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.385 7.5 m -64.64 -4.01 3.75 Favored 'General case' 0 C--N 1.284 -2.244 1 C-N-CA 133.597 4.759 . . . . 0.0 114.211 167.212 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.0 m -128.01 -42.97 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.376 1.745 0 C-N-CA 127.426 2.29 . . . . 0.0 115.509 157.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.1 m -145.5 89.49 1.93 Allowed 'General case' 0 C--N 1.274 -2.691 0 N-CA-C 117.278 2.325 . . . . 0.0 117.278 -166.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -72.49 132.51 43.94 Favored 'General case' 0 N--CA 1.521 3.094 0 N-CA-C 116.814 2.153 . . . . 0.0 116.814 -169.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.8 -174.16 3.7 Favored 'General case' 0 N--CA 1.51 2.555 0 O-C-N 118.926 -2.359 . . . . 0.0 113.601 -169.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 t -109.57 149.7 29.26 Favored 'General case' 0 C--O 1.214 -0.809 1 C-N-CA 132.183 4.193 . . . . 0.0 112.674 166.031 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.6 t -11.58 -53.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 C-N-CA 130.625 3.57 . . . . 0.0 113.47 168.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.38 -28.73 18.92 Favored Glycine 0 N--CA 1.497 2.737 0 CA-C-N 120.286 1.403 . . . . 0.0 113.671 -164.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -81.25 -34.95 31.79 Favored 'General case' 0 C--O 1.2 -1.552 0 O-C-N 117.4 -3.412 . . . . 0.0 105.972 170.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.9 mt -52.41 -60.58 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.529 3.476 0 O-C-N 125.14 1.525 . . . . 0.0 108.659 167.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.9 m -62.49 -13.13 27.07 Favored 'General case' 0 C--O 1.279 2.626 0 N-CA-C 116.658 2.095 . . . . 0.0 116.658 -173.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -92.33 -54.89 3.62 Favored 'General case' 0 N--CA 1.426 -1.672 0 C-N-CA 128.946 2.898 . . . . 0.0 112.08 174.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -74.96 -16.75 60.63 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 115.746 -2.074 . . . . 0.0 112.905 -176.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.482 HD11 ' HG ' ' A' ' 34' ' ' LEU . 5.3 mp -104.92 -7.35 19.38 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 114.8 -2.524 . . . . 0.0 116.621 169.156 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.285 32.6 m120 63.21 50.3 3.05 Favored 'General case' 0 C--N 1.294 -1.846 0 C-N-CA 130.694 3.598 . . . . 0.0 111.907 175.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 48.4 mt -104.38 -122.06 0.21 Allowed 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 103.691 -2.707 . . . . 0.0 103.691 -173.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.2 p -167.61 151.41 6.37 Favored 'General case' 0 C--O 1.263 1.793 0 CA-C-N 122.099 2.227 . . . . 0.0 106.578 -177.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -60.13 -42.85 95.69 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 115.02 -2.419 . . . . 0.0 112.332 -168.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.7 m -69.42 -35.12 75.42 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-N 122.989 2.631 . . . . 0.0 111.775 -171.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -71.43 -43.9 65.87 Favored 'General case' 0 CA--C 1.557 1.215 0 CA-C-O 124.888 2.28 . . . . 0.0 112.707 -166.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . 0.251 60.7 t -72.09 -39.84 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.417 0 O-C-N 117.851 -3.03 . . . . 0.0 109.94 174.25 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.3 m -57.7 1.64 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.23 -2.169 . . . . 0.0 113.974 168.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -121.64 -35.47 3.22 Favored 'General case' 0 N--CA 1.508 2.442 0 O-C-N 119.145 -2.222 . . . . 0.0 112.562 169.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -82.74 -40.69 20.2 Favored 'General case' 0 C--N 1.395 2.576 0 O-C-N 120.278 -1.514 . . . . 0.0 109.779 -176.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.425 HD21 ' CD1' ' A' ' 80' ' ' TYR . 9.4 tp -55.32 -46.86 76.28 Favored 'General case' 0 C--O 1.194 -1.832 0 CA-C-O 116.282 -1.818 . . . . 0.0 111.911 169.351 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -64.07 -43.11 96.44 Favored 'General case' 0 C--N 1.369 1.428 1 C-N-CA 131.778 4.031 . . . . 0.0 109.871 -178.265 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.14 -62.91 1.35 Allowed 'General case' 0 C--O 1.205 -1.244 0 CA-C-O 117.609 -1.186 . . . . 0.0 108.966 165.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.436 ' HA ' HG22 ' A' ' 66' ' ' VAL . 27.6 mt -52.17 -42.79 63.74 Favored 'General case' 0 N--CA 1.502 2.156 0 CA-C-N 123.204 2.729 . . . . 0.0 112.733 -173.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -53.64 -58.5 6.96 Favored 'General case' 0 N--CA 1.501 2.123 1 CA-C-N 106.735 -4.757 . . . . 0.0 105.444 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.3 m -69.64 -7.53 39.74 Favored 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 127.525 2.33 . . . . 0.0 112.665 -174.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' ' 63' ' ' LEU 0.343 16.4 m -108.39 8.55 9.27 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.214 0 CA-C-O 113.772 -3.013 . . . . 0.0 115.96 178.564 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.374 8.9 p80 65.46 18.68 11.38 Favored 'General case' 0 CA--C 1.565 1.534 0 O-C-N 127.686 3.116 . . . . 0.0 118.003 176.065 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 mp -99.44 -16.69 18.27 Favored 'General case' 0 CA--C 1.605 3.067 0 CA-C-N 120.279 1.4 . . . . 0.0 110.367 168.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 t -119.97 160.23 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 128.925 2.89 . . . . 0.0 108.438 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -160.46 127.89 4.42 Favored 'General case' 0 CA--C 1.56 1.343 0 CA-C-O 122.395 1.093 . . . . 0.0 111.837 173.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.46 146.54 48.55 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 126.141 2.877 . . . . 0.0 109.578 170.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -130.95 151.94 50.81 Favored 'General case' 0 C--N 1.382 1.995 0 CA-C-N 111.073 -2.785 . . . . 0.0 106.439 158.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -84.64 117.75 23.96 Favored 'General case' 0 C--O 1.194 -1.849 0 CA-C-O 115.396 -2.24 . . . . 0.0 110.098 170.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -132.23 125.29 30.76 Favored 'General case' 0 N--CA 1.423 -1.82 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 171.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 43.01 -135.47 4.43 Favored Glycine 0 N--CA 1.405 -3.378 0 C-N-CA 125.761 1.648 . . . . 0.0 116.987 -156.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -70.56 7.39 1.09 Allowed 'General case' 0 N--CA 1.518 2.94 0 N-CA-C 119.327 3.084 . . . . 0.0 119.327 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.1 m -139.15 160.11 40.58 Favored 'General case' 0 C--O 1.191 -1.978 0 CA-C-O 116.559 -1.686 . . . . 0.0 113.259 -159.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 19.7 mmt -96.67 127.5 42.72 Favored 'General case' 0 N--CA 1.402 -2.859 0 CA-C-O 122.475 1.131 . . . . 0.0 111.059 162.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.7 mm -102.83 126.26 57.08 Favored 'Isoleucine or valine' 0 C--O 1.26 1.611 0 C-N-CA 129.789 3.235 . . . . 0.0 108.852 175.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.425 ' CD1' HD21 ' A' ' 60' ' ' LEU . 73.3 m-85 -108.04 132.41 53.57 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 126.329 1.852 . . . . 0.0 109.251 -173.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.1 m -144.06 173.96 11.28 Favored 'General case' 0 C--N 1.286 -2.157 0 CA-C-N 112.195 -2.275 . . . . 0.0 107.101 -175.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.04 150.46 45.32 Favored 'General case' 0 C--N 1.38 1.904 1 CA-C-O 128.634 4.064 . . . . 0.0 113.442 165.915 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -54.6 -40.35 68.76 Favored 'General case' 0 N--CA 1.412 -2.372 0 O-C-N 118.308 -2.745 . . . . 0.0 117.422 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.6 p30 -165.95 -179.93 5.5 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 129.074 2.95 . . . . 0.0 112.051 172.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.6 tp -65.46 -17.75 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.396 -3.157 0 CA-C-N 111.921 -2.399 . . . . 0.0 113.545 -170.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -71.38 -47.03 58.77 Favored 'General case' 0 CA--C 1.454 -2.741 0 O-C-N 120.987 -1.071 . . . . 0.0 111.607 173.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . 0.347 1.6 p -77.14 -34.12 21.11 Favored 'Isoleucine or valine' 0 C--O 1.26 1.611 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -177.071 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . 0.279 . . -59.31 -38.57 80.61 Favored 'General case' 0 C--O 1.19 -2.065 0 C-N-CA 123.876 0.87 . . . . 0.0 112.389 162.2 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 68.0 m -70.46 -34.75 72.77 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 175.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.2 ttt -61.15 -51.78 67.63 Favored 'General case' 0 C--O 1.263 1.777 0 C-N-CA 125.534 1.534 . . . . 0.0 111.614 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.5 HD22 ' HA ' ' A' ' 33' ' ' GLU . 4.5 tt -75.63 -42.06 52.59 Favored 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 114.268 -1.333 . . . . 0.0 111.774 -178.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . 0.302 17.2 tttp -57.79 -41.53 82.3 Favored 'General case' 0 N--CA 1.508 2.442 0 C-N-CA 124.241 1.017 . . . . 0.0 110.187 175.131 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -77.24 -16.68 58.93 Favored 'General case' 0 N--CA 1.504 2.264 0 CA-C-N 121.272 1.851 . . . . 0.0 114.333 175.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -78.58 -41.92 30.55 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 118.913 -1.115 . . . . 0.0 109.679 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.448 ' HA ' HD12 ' A' ' 95' ' ' ILE . 0.3 OUTLIER -57.05 -9.56 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.516 2.843 0 O-C-N 126.953 2.658 . . . . 0.0 110.958 170.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -113.13 7.33 17.91 Favored 'General case' 0 N--CA 1.422 -1.832 0 C-N-CA 129.984 3.314 . . . . 0.0 118.131 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -115.23 -8.63 12.33 Favored 'General case' 0 C--O 1.188 -2.137 0 CA-C-O 116.212 -1.852 . . . . 0.0 113.898 158.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . 0.439 . . -55.84 -37.64 68.99 Favored 'General case' 0 C--O 1.262 1.738 0 O-C-N 127.601 3.063 . . . . 0.0 118.02 169.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.691 HD21 HG22 ' B' ' 12' ' ' THR . 5.9 p30 -135.23 166.15 23.76 Favored 'General case' 0 C--N 1.292 -1.92 0 C-N-CA 129.687 3.195 . . . . 0.0 109.803 170.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -147.69 62.28 6.82 Favored Pre-proline 0 CA--C 1.574 1.884 0 O-C-N 125.853 1.971 . . . . 0.0 108.86 174.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -77.96 171.47 17.17 Favored 'Trans proline' 0 CA--C 1.563 1.972 1 C-N-CA 125.51 4.14 . . . . 0.0 112.377 -165.002 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -120.36 175.06 6.15 Favored 'General case' 0 N--CA 1.516 2.84 0 O-C-N 125.08 1.487 . . . . 0.0 108.897 176.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 N--CA 1.496 1.828 0 CA-C-O 115.197 -2.335 . . . . 0.0 113.211 -165.173 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 6.5 m120 . . . . . 0 CA--C 1.506 -0.744 0 CA-C-O 125.203 2.43 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 56.7 p -147.02 -23.7 0.4 Allowed 'General case' 0 C--O 1.265 1.898 0 CA-C-N 112.025 -2.352 . . . . 0.0 114.214 -172.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 51.24 -5.71 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.121 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 -162.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.691 HG22 HD21 ' A' ' 99' ' ' ASN . 28.5 p -134.53 -78.13 0.46 Allowed 'General case' 0 CA--C 1.591 2.551 1 O-C-N 115.18 -4.7 . . . . 0.0 109.758 -160.03 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.68 -44.88 18.98 Favored 'General case' 0 CA--C 1.469 -2.168 1 CA-C-O 111.17 -4.252 . . . . 0.0 113.294 169.861 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -82.2 4.03 25.02 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 123.566 2.894 . . . . 0.0 109.323 -171.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -123.59 -8.41 7.97 Favored 'General case' 0 C--O 1.267 1.995 0 C-N-CA 130.179 3.391 . . . . 0.0 114.168 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.581 HG12 HD12 ' B' ' 19' ' ' ILE 0.443 6.2 m -100.65 -16.23 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.341 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 164.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . 0.319 0.9 OUTLIER -56.38 -43.63 79.41 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 118.249 -1.381 . . . . 0.0 107.7 168.529 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -45.54 -39.0 6.94 Favored 'General case' 0 N--CA 1.534 3.759 0 CA-C-N 112.982 -1.917 . . . . 0.0 112.649 168.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.581 HD12 HG12 ' B' ' 16' ' ' VAL . 22.1 mt -88.83 -55.93 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.147 0 CA-C-O 124.943 2.306 . . . . 0.0 115.177 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -66.04 -6.46 13.02 Favored 'General case' 0 C--O 1.202 -1.427 0 C-N-CA 127.59 2.356 . . . . 0.0 115.434 -169.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -99.37 -23.18 15.24 Favored 'General case' 0 N--CA 1.517 2.92 0 N-CA-C 116.527 2.047 . . . . 0.0 116.527 160.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.75 -11.51 47.91 Favored 'General case' 0 C--O 1.249 1.042 0 CA-C-N 120.007 1.276 . . . . 0.0 112.102 -171.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 62.3 mt -63.76 -20.99 66.19 Favored 'General case' 0 CA--C 1.594 2.646 0 C-N-CA 128.904 2.882 . . . . 0.0 113.937 168.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.9 37.36 0.09 OUTLIER Glycine 0 C--O 1.169 -3.922 0 N-CA-C 121.384 3.313 . . . . 0.0 121.384 -172.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -149.47 122.07 8.58 Favored 'General case' 0 C--O 1.251 1.158 0 CA-C-O 117.663 -1.16 . . . . 0.0 107.985 171.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . 0.274 1.1 p90 -52.37 -38.8 59.72 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 124.563 1.164 . . . . 0.0 113.079 -170.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -55.32 -47.9 74.94 Favored 'General case' 0 C--O 1.275 2.418 0 CA-C-N 112.251 -2.249 . . . . 0.0 114.442 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -53.11 -41.43 64.99 Favored 'General case' 0 C--O 1.186 -2.267 0 C-N-CA 129.742 3.217 . . . . 0.0 111.045 175.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 43.0 mm -83.57 -41.54 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.561 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 -168.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -56.42 -30.71 63.13 Favored 'General case' 0 C--N 1.357 0.92 0 N-CA-C 116.118 1.896 . . . . 0.0 116.118 165.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.472 HG12 HD13 ' B' ' 49' ' ' LEU . 32.7 mt -71.08 -48.4 55.6 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.798 0 O-C-N 124.398 1.061 . . . . 0.0 109.287 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' MET . . . . . 0.41 ' HB2' ' CD1' ' B' ' 91' ' ' LEU . 60.2 mtm -90.95 -36.93 13.82 Favored 'General case' 0 CA--C 1.559 1.295 0 O-C-N 119.314 -2.116 . . . . 0.0 116.173 -174.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -35.16 -41.67 0.16 Allowed 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 112.576 -3.583 . . . . 0.0 110.919 141.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.549 HD13 ' N ' ' B' ' 35' ' ' LEU 0.384 0.4 OUTLIER -75.03 -52.35 11.29 Favored 'General case' 0 CA--C 1.629 3.987 0 CA-C-O 127.943 3.735 . . . . 0.0 117.641 177.074 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.549 ' N ' HD13 ' B' ' 34' ' ' LEU . 58.5 mt -65.31 -27.59 68.72 Favored 'General case' 0 CA--C 1.556 1.184 0 O-C-N 118.675 -2.515 . . . . 0.0 109.801 -169.195 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' SER . . . . . 0.451 ' OG ' ' HE2' ' B' ' 92' ' ' LYS . 57.2 p -62.75 -0.73 0.69 Allowed 'General case' 0 N--CA 1.51 2.559 0 CA-C-N 111.529 -2.578 . . . . 0.0 117.728 170.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 m -134.97 -33.33 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 CA-C-N 112.836 -1.983 . . . . 0.0 111.46 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 10.6 t -157.18 120.49 4.1 Favored 'General case' 0 CA--C 1.575 1.909 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 167.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . 0.267 56.4 mt-10 -68.03 146.16 53.78 Favored 'General case' 0 N--CA 1.505 2.321 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -169.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -156.76 135.47 11.63 Favored 'General case' 0 CA--C 1.573 1.859 0 O-C-N 124.766 1.291 . . . . 0.0 111.56 -175.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.421 ' HB2' ' HA ' ' B' ' 79' ' ' ILE . 35.1 t -94.51 156.3 16.52 Favored 'General case' 0 CA--C 1.567 1.623 0 C-N-CA 128.013 2.525 . . . . 0.0 110.964 175.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.431 HG22 HG12 ' B' ' 56' ' ' VAL 0.326 37.1 t -9.82 -72.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.397 2.667 0 N-CA-C 118.446 2.758 . . . . 0.0 118.446 178.173 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.98 -30.99 76.78 Favored Glycine 0 N--CA 1.478 1.475 0 O-C-N 125.984 2.052 . . . . 0.0 114.596 -170.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -81.22 -43.17 19.65 Favored 'General case' 0 CA--C 1.569 1.687 0 C-N-CA 125.977 1.711 . . . . 0.0 110.794 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.418 HD13 HG21 ' B' ' 45' ' ' ILE . 96.2 mt -50.53 -51.38 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.026 0 CA-C-O 114.327 -2.749 . . . . 0.0 111.075 161.168 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 16.1 m -51.78 -38.33 55.09 Favored 'General case' 0 CA--C 1.581 2.148 0 C-N-CA 127.959 2.504 . . . . 0.0 109.56 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -70.82 -49.95 40.81 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 114.73 -2.557 . . . . 0.0 111.53 174.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -80.39 -20.48 43.9 Favored 'General case' 0 C--O 1.167 -3.247 0 O-C-N 128.085 3.365 . . . . 0.0 117.909 -169.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.472 HD13 HG12 ' B' ' 31' ' ' ILE . 4.1 mt -111.27 -0.12 16.53 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 112.898 -1.955 . . . . 0.0 113.952 -178.164 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 15.6 m120 54.14 43.06 31.22 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 130.38 3.472 . . . . 0.0 113.079 -175.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 mt -106.4 158.47 16.87 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 118.029 -2.919 . . . . 0.0 108.461 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 1.9 p -79.27 148.8 32.03 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 120.244 3.424 . . . . 0.0 120.244 171.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -55.75 -31.86 62.92 Favored 'General case' 0 C--N 1.375 1.677 0 CA-C-O 124.126 1.917 . . . . 0.0 110.356 -177.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 53.3 m -74.07 -46.44 43.07 Favored 'General case' 0 C--O 1.269 2.114 0 O-C-N 117.596 -3.19 . . . . 0.0 110.682 -174.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -69.48 -36.69 76.79 Favored 'General case' 0 N--CA 1.521 3.078 0 O-C-N 126.826 2.579 . . . . 0.0 111.771 175.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.431 HG12 HG22 ' B' ' 42' ' ' VAL . 65.9 t -75.27 -46.41 38.64 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.96 0 O-C-N 117.434 -3.291 . . . . 0.0 109.791 177.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.6 m -43.55 -15.41 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 118.429 2.751 . . . . 0.0 118.429 163.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -100.6 -44.39 5.86 Favored 'General case' 0 CA--C 1.508 -0.659 0 C-N-CA 129.329 3.052 . . . . 0.0 113.313 167.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -86.43 -35.91 19.41 Favored 'General case' 0 N--CA 1.409 -2.496 0 CA-C-N 121.655 2.025 . . . . 0.0 115.736 -164.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' B' ' 60' ' ' LEU . 12.5 tp -56.64 -45.04 81.82 Favored 'General case' 0 CA--C 1.595 2.695 0 C-N-CA 126.482 1.913 . . . . 0.0 107.907 167.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . 0.275 32.4 mttt -70.05 -40.93 74.8 Favored 'General case' 0 N--CA 1.512 2.633 0 C-N-CA 128.395 2.678 . . . . 0.0 109.963 -175.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -50.51 -55.11 17.51 Favored 'General case' 0 C--O 1.284 2.896 0 CA-C-O 123.477 1.608 . . . . 0.0 112.856 163.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.83 -34.85 77.53 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 117.359 -3.338 . . . . 0.0 114.256 -165.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -47.51 -51.54 20.28 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 126.194 2.902 . . . . 0.0 108.476 170.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 13.0 m -75.61 -2.09 27.62 Favored 'General case' 0 C--O 1.254 1.32 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 -178.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . 0.376 27.4 m -112.21 15.92 8.17 Favored 'Isoleucine or valine' 0 C--O 1.272 2.255 0 O-C-N 120.267 -1.521 . . . . 0.0 114.136 162.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 7.2 m80 46.96 22.17 0.19 Allowed 'General case' 0 CA--C 1.571 1.774 0 C-N-CA 127.204 2.202 . . . . 0.0 114.913 -178.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 mp -69.69 -22.22 63.44 Favored 'General case' 0 N--CA 1.508 2.445 0 O-C-N 116.419 -3.925 . . . . 0.0 106.794 161.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.0 t -133.25 153.75 37.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 C-N-CA 130.999 3.72 . . . . 0.0 114.377 -167.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -149.54 146.13 27.2 Favored 'General case' 0 N--CA 1.422 -1.849 1 CA-C-O 128.857 4.17 . . . . 0.0 107.783 170.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' ALA . . . . . 0.551 ' HB2' ' CE2' ' B' ' 80' ' ' TYR . . . -91.78 144.21 25.74 Favored 'General case' 0 C--O 1.269 2.116 0 CA-C-N 108.771 -3.831 . . . . 0.0 112.952 164.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -123.91 131.38 53.57 Favored 'General case' 0 N--CA 1.51 2.54 0 C-N-CA 129.541 3.136 . . . . 0.0 108.113 170.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -86.67 118.07 25.85 Favored 'General case' 0 CA--C 1.564 1.502 0 CA-C-N 110.741 -2.936 . . . . 0.0 107.831 -173.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -135.94 104.9 5.88 Favored 'General case' 0 C--N 1.39 2.333 0 O-C-N 125.337 1.648 . . . . 0.0 110.95 -177.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.06 -104.28 3.07 Favored Glycine 0 C--O 1.254 1.398 0 O-C-N 116.638 -3.789 . . . . 0.0 111.783 164.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . 0.297 30.3 mt-30 -119.93 7.19 10.89 Favored 'General case' 0 N--CA 1.51 2.574 0 C-N-CA 125.599 1.559 . . . . 0.0 107.905 168.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 65.5 p -136.55 -174.57 3.74 Favored 'General case' 0 C--O 1.216 -0.668 1 CA-C-N 126.205 4.093 . . . . 0.0 120.057 173.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 45.0 mtm -113.64 125.74 54.48 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 118.5 -2.625 . . . . 0.0 109.921 165.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.421 ' HA ' ' HB2' ' B' ' 41' ' ' SER . 27.2 mm -85.98 140.34 16.04 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.87 0 O-C-N 127.575 3.047 . . . . 0.0 106.052 166.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' TYR . . . . . 0.551 ' CE2' ' HB2' ' B' ' 71' ' ' ALA . 37.6 m-85 -119.6 143.02 47.88 Favored 'General case' 0 N--CA 1.416 -2.132 0 CA-C-O 122.201 1.0 . . . . 0.0 112.959 -173.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 74.5 m -132.14 166.12 22.52 Favored 'General case' 0 C--O 1.284 2.902 1 C-N-CA 133.004 4.521 . . . . 0.0 109.108 -170.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.08 149.24 37.73 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 119.643 3.201 . . . . 0.0 119.643 143.093 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -72.18 -55.84 6.57 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-N 121.604 2.002 . . . . 0.0 110.565 -168.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -140.95 -170.48 3.05 Favored 'General case' 0 CA--C 1.493 -1.22 0 CA-C-O 123.631 1.681 . . . . 0.0 112.87 156.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -17.48 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.349 0 N-CA-C 117.35 2.352 . . . . 0.0 117.35 -176.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -64.84 -55.22 20.82 Favored 'General case' 0 N--CA 1.517 2.916 0 C-N-CA 129.089 2.955 . . . . 0.0 108.129 -177.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 m -88.12 -19.82 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -167.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.27 -24.8 66.63 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 118.108 2.632 . . . . 0.0 118.108 159.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 44.7 m -82.95 -52.23 6.87 Favored 'General case' 0 N--CA 1.502 2.165 0 N-CA-C 100.625 -3.843 . . . . 0.0 100.625 177.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 12.9 tmm? -52.81 -55.23 24.47 Favored 'General case' 0 C--O 1.17 -3.094 0 CA-C-N 119.882 1.219 . . . . 0.0 113.365 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.41 ' CD1' ' HB2' ' B' ' 32' ' ' MET . 6.3 tt -57.95 -44.24 86.85 Favored 'General case' 0 C--O 1.192 -1.942 0 CA-C-O 114.535 -2.65 . . . . 0.0 115.83 175.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.451 ' HE2' ' OG ' ' B' ' 36' ' ' SER . 72.3 mttt -67.99 -33.91 75.52 Favored 'General case' 0 C--N 1.373 1.595 0 CA-C-N 122.164 2.256 . . . . 0.0 108.69 -178.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -71.67 -15.6 62.23 Favored 'General case' 1 N--CA 1.547 4.42 0 C-N-CA 129.038 2.935 . . . . 0.0 110.282 174.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.06 -33.89 19.36 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-O 122.46 1.124 . . . . 0.0 114.028 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 3.6 mm -59.26 -48.63 86.3 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 C-N-CA 126.108 1.763 . . . . 0.0 114.256 157.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -75.53 -25.61 57.35 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 119.519 -1.988 . . . . 0.0 114.729 -172.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -67.03 -7.76 25.14 Favored 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 162.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -102.55 -27.63 12.65 Favored 'General case' 0 CA--C 1.588 2.429 0 O-C-N 116.908 -3.62 . . . . 0.0 111.861 173.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -111.91 86.97 2.45 Favored 'General case' 0 N--CA 1.506 2.328 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 166.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -79.25 155.51 76.88 Favored Pre-proline 0 CA--C 1.549 0.917 0 O-C-N 124.573 1.17 . . . . 0.0 113.75 162.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -42.8 -39.12 7.23 Favored 'Trans proline' 0 CA--C 1.568 2.201 0 C-N-CA 125.091 3.861 . . . . 0.0 116.736 172.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -134.58 171.0 14.94 Favored 'General case' 0 CA--C 1.589 2.467 0 O-C-N 116.879 -3.638 . . . . 0.0 109.644 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . 0.311 27.8 mt-10 . . . . . 0 C--O 1.255 1.368 0 N-CA-C 115.527 1.676 . . . . 0.0 115.527 170.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.2 m120 . . . . . 0 N--CA 1.426 -1.664 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.1 p -134.74 -31.55 1.04 Allowed 'General case' 0 N--CA 1.513 2.697 0 O-C-N 126.374 2.296 . . . . 0.0 114.899 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.25 9.2 m-20 61.25 -55.27 0.1 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.197 2.199 . . . . 0.0 110.677 176.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.8 p -132.79 -22.99 2.06 Favored 'General case' 0 C--N 1.288 -2.09 0 C-N-CA 128.468 2.707 . . . . 0.0 112.785 -171.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.07 -28.26 63.21 Favored 'General case' 0 N--CA 1.51 2.569 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -164.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -67.51 -21.01 65.51 Favored 'General case' 0 C--N 1.374 1.662 0 O-C-N 116.615 -3.803 . . . . 0.0 112.617 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.276 15.2 ttm180 -100.63 -1.83 34.3 Favored 'General case' 0 N--CA 1.512 2.646 0 N-CA-C 120.331 3.456 . . . . 0.0 120.331 166.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.476 HG12 ' CZ ' ' A' ' 20' ' ' PHE . 2.4 t -82.88 -42.03 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.324 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 156.402 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.1 p -63.35 -25.2 68.18 Favored 'General case' 0 C--N 1.381 1.976 1 O-C-N 115.663 -4.398 . . . . 0.0 118.3 171.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -56.38 -29.67 61.73 Favored 'General case' 0 CA--C 1.582 2.189 0 C-N-CA 127.486 2.314 . . . . 0.0 112.608 165.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.9 pp -104.38 5.64 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.535 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.386 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.476 ' CZ ' HG12 ' A' ' 16' ' ' VAL . 11.7 m-85 -92.54 -33.99 14.24 Favored 'General case' 0 C--N 1.363 1.193 0 N-CA-C 119.967 3.321 . . . . 0.0 119.967 151.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -64.28 52.25 0.02 OUTLIER 'General case' 0 C--O 1.286 2.983 0 C-N-CA 128.259 2.624 . . . . 0.0 111.399 153.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.452 ' H ' ' C ' ' A' ' 20' ' ' PHE . . . -167.87 -30.7 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 CA-C-N 110.084 -3.234 . . . . 0.0 108.715 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.3 mt -82.23 -129.14 0.02 OUTLIER 'General case' 0 CA--C 1.59 2.484 0 C-N-CA 126.271 1.828 . . . . 0.0 111.229 176.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 57.99 13.69 14.81 Favored Glycine 0 CA--C 1.561 2.949 0 C-N-CA 128.301 2.858 . . . . 0.0 120.165 177.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -142.55 165.81 26.38 Favored 'General case' 0 C--O 1.268 2.056 0 O-C-N 119.722 -2.046 . . . . 0.0 111.066 175.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -80.21 -83.25 0.1 Allowed 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 118.355 2.724 . . . . 0.0 118.355 -176.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -55.68 -45.41 77.77 Favored 'General case' 0 C--O 1.263 1.791 0 O-C-N 118.727 -2.483 . . . . 0.0 106.285 -172.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -39.66 -23.78 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.761 0 C-N-CA 128.366 2.666 . . . . 0.0 113.718 170.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.51 HD11 HG23 ' B' ' 16' ' ' VAL 0.42 0.7 OUTLIER -114.0 -11.71 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.24 0 CA-C-O 113.265 -3.255 . . . . 0.0 119.174 170.456 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.2 ttp85 -67.7 -23.14 65.25 Favored 'General case' 0 CA--C 1.481 -1.675 0 C-N-CA 127.998 2.519 . . . . 0.0 111.153 157.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.0 mt -62.14 -57.15 13.38 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.831 0 CA-C-N 119.688 1.131 . . . . 0.0 111.344 164.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.425 ' CB ' HD13 ' A' ' 91' ' ' LEU . 61.2 mtp -81.18 -39.72 25.02 Favored 'General case' 0 C--O 1.185 -2.32 1 CA-C-O 111.236 -4.221 . . . . 0.0 109.638 -156.128 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.443 ' HG3' HD23 ' B' ' 13' ' ' LEU . 0.0 OUTLIER -10.54 -59.98 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.908 0 N-CA-C 120.75 3.611 . . . . 0.0 120.75 135.282 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.438 ' C ' HD13 ' A' ' 34' ' ' LEU 0.257 1.2 tm? -78.73 -55.25 5.32 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 117.824 -3.047 . . . . 0.0 109.245 -170.858 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.3 mt -45.44 -27.99 0.81 Allowed 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 127.582 2.353 . . . . 0.0 115.758 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.3 m -83.08 -10.9 58.46 Favored 'General case' 0 CA--C 1.587 2.367 0 C-N-CA 128.022 2.529 . . . . 0.0 111.223 -175.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.7 m -128.55 -29.82 0.87 Allowed 'Isoleucine or valine' 0 C--O 1.186 -2.253 0 C-N-CA 127.204 2.202 . . . . 0.0 113.073 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.9 m -154.66 101.87 2.35 Favored 'General case' 0 CA--C 1.594 2.659 0 O-C-N 119.511 -1.993 . . . . 0.0 114.561 159.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -32.6 124.69 0.33 Allowed 'General case' 0 N--CA 1.533 3.7 0 C-N-CA 129.819 3.247 . . . . 0.0 111.059 172.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -135.69 144.71 46.12 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 112.192 -2.276 . . . . 0.0 113.455 173.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.6 t -102.32 161.38 13.75 Favored 'General case' 0 N--CA 1.516 2.85 0 O-C-N 118.372 -2.705 . . . . 0.0 107.985 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.418 HG23 HD23 ' A' ' 60' ' ' LEU . 55.5 t -20.88 -66.85 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.521 3.075 0 CA-C-O 113.855 -2.974 . . . . 0.0 113.923 174.241 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.63 -42.33 95.53 Favored Glycine 0 C--O 1.272 2.488 1 O-C-N 129.679 4.362 . . . . 0.0 111.415 -169.347 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -74.76 -27.31 60.29 Favored 'General case' 0 C--N 1.386 2.188 0 CA-C-O 116.31 -1.805 . . . . 0.0 111.62 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.51 HG23 HD13 ' A' ' 49' ' ' LEU . 69.0 mt -63.0 -56.42 17.57 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.389 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 174.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 m -43.04 -42.4 3.87 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.293 -1.504 . . . . 0.0 113.847 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -67.03 -68.55 0.37 Allowed 'General case' 0 C--O 1.268 2.043 0 O-C-N 124.674 1.234 . . . . 0.0 113.142 167.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -67.02 -22.7 65.88 Favored 'General case' 0 N--CA 1.516 2.862 0 O-C-N 118.901 -2.374 . . . . 0.0 109.635 -163.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.51 HD13 HG23 ' A' ' 45' ' ' ILE . 5.2 mp -109.08 5.15 23.81 Favored 'General case' 0 N--CA 1.393 -3.314 0 CA-C-N 121.9 2.136 . . . . 0.0 111.564 178.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.264 5.6 m120 44.6 55.25 5.95 Favored 'General case' 0 CA--C 1.61 3.255 0 O-C-N 125.299 1.624 . . . . 0.0 112.627 -168.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.318 58.4 mt -99.08 -137.04 0.3 Allowed 'General case' 0 CA--C 1.576 1.972 0 O-C-N 126.259 2.225 . . . . 0.0 113.206 168.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.7 p -169.65 155.51 6.02 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 118.637 -2.54 . . . . 0.0 114.43 -175.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -62.86 -55.82 22.79 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 116.435 2.013 . . . . 0.0 116.435 -169.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.7 m -69.88 -26.59 64.26 Favored 'General case' 0 N--CA 1.524 3.236 0 CA-C-N 120.716 1.598 . . . . 0.0 114.217 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -63.8 -58.56 6.45 Favored 'General case' 0 N--CA 1.421 -1.897 0 C-N-CA 126.715 2.006 . . . . 0.0 107.979 169.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.1 t -71.66 -34.72 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.397 0 O-C-N 119.591 -1.943 . . . . 0.0 114.715 -169.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.79 8.31 0.06 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 164.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -117.82 -34.52 4.17 Favored 'General case' 0 N--CA 1.426 -1.632 0 CA-C-O 112.346 -3.692 . . . . 0.0 116.119 165.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -99.67 -29.98 12.36 Favored 'General case' 0 CA--C 1.485 -1.553 0 O-C-N 126.221 2.201 . . . . 0.0 115.19 -173.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.451 HD21 ' CG ' ' A' ' 80' ' ' TYR . 13.8 tp -64.85 -31.41 72.63 Favored 'General case' 0 N--CA 1.503 2.218 0 CA-C-N 112.753 -2.021 . . . . 0.0 110.885 159.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -68.15 -47.15 68.83 Favored 'General case' 0 N--CA 1.498 1.97 0 C-N-CA 127.087 2.155 . . . . 0.0 112.648 170.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.495 ' O ' HG22 ' A' ' 66' ' ' VAL . 1.3 tm? -50.82 -61.79 2.0 Allowed 'General case' 0 CA--C 1.555 1.154 0 O-C-N 119.266 -2.146 . . . . 0.0 113.243 169.047 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.492 ' N ' HD13 ' A' ' 62' ' ' LEU . 89.7 mt -58.69 -36.37 74.11 Favored 'General case' 0 N--CA 1.506 2.368 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -173.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -57.91 -41.94 83.72 Favored 'General case' 0 CA--C 1.56 1.355 0 CA-C-O 124.485 2.088 . . . . 0.0 114.663 174.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.6 m -82.22 -14.04 56.15 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 126.124 1.77 . . . . 0.0 109.833 -176.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 62' ' ' LEU 0.266 27.8 m -114.77 27.69 3.1 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.23 0 CA-C-N 123.958 3.072 . . . . 0.0 115.96 176.692 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.261 16.4 p80 53.84 19.46 1.93 Allowed 'General case' 0 C--N 1.383 2.042 0 C-N-CA 129.687 3.195 . . . . 0.0 118.191 167.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.7 mp -77.01 -52.61 9.05 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 125.024 2.345 . . . . 0.0 108.269 165.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.3 t -97.94 163.86 2.46 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.556 0 CA-C-N 112.756 -2.02 . . . . 0.0 109.137 -172.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.535 ' HE2' ' HA ' ' A' ' 83' ' ' ASP . 28.3 ttpt -151.5 124.2 8.49 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 119.805 -1.809 . . . . 0.0 114.526 176.105 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.8 153.99 19.84 Favored 'General case' 0 N--CA 1.504 2.251 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 49.5 tttm -153.89 154.64 34.25 Favored 'General case' 0 C--N 1.383 2.028 0 C-N-CA 125.389 1.476 . . . . 0.0 111.907 162.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -75.72 132.9 40.8 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 117.765 -3.084 . . . . 0.0 108.791 -178.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -132.35 106.85 8.16 Favored 'General case' 0 CA--C 1.576 1.955 0 O-C-N 118.526 -2.609 . . . . 0.0 105.482 158.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.54 -149.39 33.47 Favored Glycine 0 N--CA 1.494 2.524 0 CA-C-N 122.075 2.216 . . . . 0.0 108.178 177.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . 0.264 5.6 pt20 -72.4 14.01 0.28 Allowed 'General case' 0 N--CA 1.508 2.471 0 N-CA-C 118.288 2.699 . . . . 0.0 118.288 171.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.9 m -131.93 159.56 38.31 Favored 'General case' 0 N--CA 1.512 2.673 0 CA-C-O 117.793 -1.098 . . . . 0.0 113.805 -171.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 74.2 mmm -110.08 126.99 54.6 Favored 'General case' 0 C--N 1.371 1.543 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 174.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 36.9 mm -96.71 133.16 39.17 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.229 0 O-C-N 125.539 1.774 . . . . 0.0 107.921 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.451 ' CG ' HD21 ' A' ' 60' ' ' LEU . 34.2 m-85 -121.19 135.42 55.15 Favored 'General case' 0 C--N 1.288 -2.077 0 C-N-CA 127.1 2.16 . . . . 0.0 105.878 -168.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.5 m -147.56 -174.06 4.44 Favored 'General case' 0 N--CA 1.504 2.235 0 C-N-CA 126.262 1.825 . . . . 0.0 107.462 -167.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -82.01 157.5 24.17 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 113.592 -3.099 . . . . 0.0 116.674 165.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.535 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 21.3 t70 -74.59 -28.27 60.84 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 124.243 3.201 . . . . 0.0 115.61 -174.116 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -173.28 176.89 2.79 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 127.127 2.171 . . . . 0.0 114.408 169.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.0 tp -50.14 -29.93 6.22 Favored 'Isoleucine or valine' 0 C--N 1.368 1.385 0 N-CA-C 117.509 2.411 . . . . 0.0 117.509 173.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -58.69 -58.54 8.13 Favored 'General case' 0 N--CA 1.407 -2.599 0 O-C-N 117.231 -3.418 . . . . 0.0 113.326 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.27 -36.66 50.04 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.206 0 C-N-CA 127.441 2.297 . . . . 0.0 109.539 -177.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.458 ' O ' ' HB2' ' A' ' 92' ' ' LYS . . . -57.23 -35.42 69.67 Favored 'General case' 0 C--O 1.267 2.012 0 O-C-N 124.463 1.102 . . . . 0.0 111.375 169.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 38.7 m -91.79 -31.77 15.62 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 117.264 -3.397 . . . . 0.0 110.692 -174.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.5 ttt -44.83 -64.38 0.72 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 119.272 -2.142 . . . . 0.0 114.873 159.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.425 HD13 ' CB ' ' A' ' 32' ' ' MET . 7.3 tt -67.77 -44.02 78.42 Favored 'General case' 0 C--O 1.271 2.188 0 CA-C-N 121.81 2.095 . . . . 0.0 110.382 -176.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 88' ' ' ALA 0.265 18.0 tttp -45.78 -57.81 3.99 Favored 'General case' 0 C--N 1.373 1.596 0 C-N-CA 126.252 1.821 . . . . 0.0 112.936 171.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -62.97 -31.88 73.09 Favored 'General case' 0 C--O 1.253 1.241 0 C-N-CA 129.462 3.105 . . . . 0.0 116.298 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.94 -48.43 71.41 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 168.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -49.37 -18.1 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.4 2.775 0 CA-C-O 124.77 2.224 . . . . 0.0 111.048 168.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . 0.397 29.9 m-70 -95.45 -15.54 22.89 Favored 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 117.176 2.287 . . . . 0.0 117.176 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -98.6 -19.85 17.34 Favored 'General case' 0 C--N 1.383 2.053 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 166.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -51.54 -38.65 55.24 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 119.61 3.189 . . . . 0.0 119.61 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -140.77 163.02 34.04 Favored 'General case' 0 CA--C 1.594 2.642 0 C-N-CA 128.416 2.686 . . . . 0.0 112.107 154.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -133.61 88.85 32.69 Favored Pre-proline 0 CA--C 1.586 2.335 0 N-CA-C 104.814 -2.291 . . . . 0.0 104.814 -178.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -106.59 147.91 0.1 OUTLIER 'Trans proline' 0 CA--C 1.58 2.81 0 C-N-CA 121.743 1.629 . . . . 0.0 111.381 -159.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -64.16 156.54 28.2 Favored 'General case' 0 C--O 1.26 1.617 0 C-N-CA 128.089 2.556 . . . . 0.0 111.202 168.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 . . . . . 0 N--CA 1.502 2.167 0 O-C-N 119.832 -1.792 . . . . 0.0 112.254 175.275 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 6.3 m120 . . . . . 0 N--CA 1.438 -1.033 0 N-CA-C 116.705 2.113 . . . . 0.0 116.705 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.404 ' C ' ' H ' ' B' ' 12' ' ' THR . 66.2 p -139.59 -21.73 0.9 Allowed 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 131.468 3.907 . . . . 0.0 113.978 169.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . 0.334 11.6 m-20 63.79 -29.24 0.09 Allowed 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 129.283 3.033 . . . . 0.0 115.13 -174.121 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.404 ' H ' ' C ' ' B' ' 10' ' ' THR . 41.8 p -132.4 -42.94 0.94 Allowed 'General case' 0 C--O 1.244 0.782 0 CA-C-O 113.539 -3.124 . . . . 0.0 113.261 -164.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.496 HD11 HG13 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -50.98 -51.2 55.13 Favored 'General case' 0 N--CA 1.508 2.428 0 CA-C-N 122.72 2.509 . . . . 0.0 117.223 162.362 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -60.01 7.82 0.02 OUTLIER 'General case' 0 CA--C 1.584 2.257 0 N-CA-C 116.067 1.877 . . . . 0.0 116.067 173.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -139.23 -25.06 0.86 Allowed 'General case' 0 N--CA 1.419 -1.982 1 C-N-CA 131.814 4.046 . . . . 0.0 117.625 177.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.51 HG23 HD11 ' A' ' 29' ' ' ILE . 35.3 m -81.22 -28.13 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 CA-C-N 122.393 2.361 . . . . 0.0 112.875 169.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 5.7 p -38.44 -52.68 1.57 Allowed 'General case' 0 CA--C 1.497 -1.08 0 CA-C-N 122.773 2.533 . . . . 0.0 107.719 168.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -57.98 -33.03 68.45 Favored 'General case' 0 N--CA 1.427 -1.581 0 O-C-N 126.896 2.623 . . . . 0.0 114.56 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.415 HD12 HG12 ' B' ' 16' ' ' VAL . 5.8 mt -79.15 -46.52 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 CA-C-O 118.025 -0.988 . . . . 0.0 111.523 171.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -81.14 -4.18 54.52 Favored 'General case' 0 C--O 1.273 2.315 1 C-N-CA 133.983 4.913 . . . . 0.0 112.697 -168.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . 0.275 24.8 pttt -100.32 -20.22 15.96 Favored 'General case' 0 CA--C 1.579 2.082 0 CA-C-O 112.183 -3.77 . . . . 0.0 111.027 158.284 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.92 -10.9 23.8 Favored 'General case' 0 N--CA 1.506 2.361 0 CA-C-N 121.875 2.125 . . . . 0.0 110.851 -176.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.09 -13.15 32.78 Favored 'General case' 0 N--CA 1.501 2.121 0 CA-C-N 123.51 2.868 . . . . 0.0 112.748 172.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.71 49.13 2.73 Favored Glycine 1 CA--C 1.58 4.153 0 CA-C-O 117.117 -1.935 . . . . 0.0 116.383 -159.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -155.89 118.74 4.22 Favored 'General case' 0 C--O 1.265 1.896 0 N-CA-C 103.668 -2.715 . . . . 0.0 103.668 173.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -56.8 -35.31 68.58 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.051 0.941 . . . . 0.0 110.434 -175.303 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -59.79 -60.57 3.63 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 128.606 2.762 . . . . 0.0 110.194 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . 0.284 68.2 mtt180 -42.55 -46.99 5.07 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 129.595 3.158 . . . . 0.0 108.824 174.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.8 mm -80.8 -44.0 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 CA-C-O 115.319 -2.277 . . . . 0.0 108.762 -169.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 -50.47 -39.71 48.77 Favored 'General case' 0 N--CA 1.427 -1.586 0 O-C-N 125.393 1.683 . . . . 0.0 111.24 174.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 16.1 mt -60.04 -40.99 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.494 0 CA-C-N 114.324 -1.307 . . . . 0.0 114.013 169.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' MET . . . . . 0.567 ' SD ' HD22 ' B' ' 63' ' ' LEU . 43.9 mtm -86.69 -47.58 9.02 Favored 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -175.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -19.65 -54.87 0.01 OUTLIER 'General case' 0 N--CA 1.529 3.49 0 O-C-N 119.759 -1.838 . . . . 0.0 112.763 141.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -68.69 -59.6 3.0 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 175.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 83.3 mt -53.74 -26.93 25.63 Favored 'General case' 0 C--N 1.364 1.224 0 N-CA-C 121.172 3.768 . . . . 0.0 121.172 -177.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 81.4 p -72.94 -3.33 25.21 Favored 'General case' 0 CA--C 1.564 1.516 1 O-C-N 130.365 4.79 . . . . 0.0 118.056 170.082 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 3.6 m -123.99 -20.87 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.539 0 CA-C-O 117.192 -1.385 . . . . 0.0 112.352 162.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 27.5 t -160.07 104.24 1.5 Allowed 'General case' 0 C--N 1.374 1.637 0 CA-C-N 121.242 1.837 . . . . 0.0 114.177 176.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -51.35 143.17 12.01 Favored 'General case' 0 CA--C 1.597 2.759 0 O-C-N 125.512 1.757 . . . . 0.0 112.545 -174.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.13 158.3 43.87 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 116.04 1.867 . . . . 0.0 116.04 165.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 8.5 t -98.07 151.79 19.98 Favored 'General case' 0 CA--C 1.462 -2.423 0 O-C-N 119.795 -1.815 . . . . 0.0 111.504 162.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . 0.29 2.6 t 10.2 -70.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.261 1.69 0 C-N-CA 129.861 3.264 . . . . 0.0 119.777 150.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.53 -13.77 83.17 Favored Glycine 0 N--CA 1.488 2.151 0 C-N-CA 116.776 -2.631 . . . . 0.0 117.83 -172.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -95.81 -33.03 12.4 Favored 'General case' 0 CA--C 1.568 1.662 0 CA-C-O 117.148 -1.406 . . . . 0.0 111.252 170.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 87.1 mt -50.79 -44.95 27.23 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.078 0 C-N-CA 128.104 2.561 . . . . 0.0 110.626 163.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 39.0 m -60.61 -16.77 41.7 Favored 'General case' 0 CA--C 1.582 2.174 0 CA-C-N 112.911 -1.95 . . . . 0.0 113.534 176.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -101.21 -56.3 2.34 Favored 'General case' 0 CA--C 1.591 2.535 0 CA-C-O 115.759 -2.067 . . . . 0.0 109.054 171.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -53.54 -38.37 63.74 Favored 'General case' 0 C--O 1.274 2.362 0 C-N-CA 128.567 2.747 . . . . 0.0 117.346 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 mt -119.02 12.22 12.69 Favored 'General case' 0 CA--C 1.603 3.019 0 C-N-CA 130.961 3.704 . . . . 0.0 114.839 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 23.7 m120 34.29 59.94 0.6 Allowed 'General case' 0 C--O 1.257 1.493 0 C-N-CA 129.386 3.075 . . . . 0.0 111.245 175.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 47.4 mt -116.28 161.67 18.65 Favored 'General case' 0 N--CA 1.517 2.898 0 O-C-N 118.95 -2.344 . . . . 0.0 108.219 169.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 22.5 p -72.45 145.57 47.51 Favored 'General case' 0 C--N 1.387 2.2 0 CA-C-N 121.467 1.94 . . . . 0.0 108.885 177.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -63.22 -36.14 82.66 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 119.634 -1.916 . . . . 0.0 113.143 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.5 -44.57 96.85 Favored 'General case' 0 CA--C 1.572 1.82 0 C-N-CA 128.39 2.676 . . . . 0.0 110.011 174.127 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -64.94 -32.35 74.03 Favored 'General case' 0 N--CA 1.509 2.485 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 167.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . 0.401 52.4 t -76.61 -40.37 33.37 Favored 'Isoleucine or valine' 0 C--N 1.368 1.399 1 O-C-N 115.729 -4.357 . . . . 0.0 113.873 177.734 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 75.7 m -47.92 -7.63 0.02 OUTLIER 'General case' 0 N--CA 1.416 -2.132 0 C-N-CA 130.391 3.476 . . . . 0.0 115.875 156.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -119.08 -37.79 3.15 Favored 'General case' 0 C--N 1.404 2.971 0 C-N-CA 128.036 2.534 . . . . 0.0 117.077 176.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -82.77 -54.12 5.36 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 127.244 2.218 . . . . 0.0 109.719 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.3 tp -58.51 -15.64 11.97 Favored 'General case' 0 C--N 1.368 1.386 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 173.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -87.08 -27.07 23.36 Favored 'General case' 0 C--O 1.261 1.702 0 CA-C-O 118.458 -0.782 . . . . 0.0 111.93 168.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.483 HD13 ' C ' ' B' ' 62' ' ' LEU . 1.6 tm? -61.55 -53.99 49.07 Favored 'General case' 0 CA--C 1.484 -1.58 0 CA-C-N 121.536 1.971 . . . . 0.0 110.99 172.309 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.567 HD22 ' SD ' ' B' ' 32' ' ' MET . 79.4 mt -56.89 -38.22 72.49 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 124.601 2.144 . . . . 0.0 110.043 -172.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -65.86 -49.99 66.14 Favored 'General case' 0 N--CA 1.523 3.216 0 CA-C-N 110.801 -2.909 . . . . 0.0 105.12 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.3 m -75.22 1.41 13.54 Favored 'General case' 0 CA--C 1.562 1.427 0 O-C-N 120.057 -1.652 . . . . 0.0 114.683 -173.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.454 HG23 ' HG ' ' B' ' 68' ' ' LEU 0.312 13.0 m -110.08 2.01 9.21 Favored 'Isoleucine or valine' 0 C--N 1.369 1.423 0 O-C-N 116.395 -3.94 . . . . 0.0 111.907 165.791 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . 0.263 0.9 OUTLIER 61.89 25.58 15.39 Favored 'General case' 0 N--CA 1.408 -2.528 0 C-N-CA 128.241 2.616 . . . . 0.0 117.439 -179.37 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.454 ' HG ' HG23 ' B' ' 66' ' ' VAL . 16.7 mt -72.55 -25.03 61.22 Favored 'General case' 0 N--CA 1.497 1.875 0 C-N-CA 128.189 2.596 . . . . 0.0 112.916 165.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.0 t -130.08 152.28 37.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 C-N-CA 129.026 2.93 . . . . 0.0 113.196 -171.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -138.53 137.89 37.49 Favored 'General case' 0 C--N 1.386 2.182 0 CA-C-O 125.278 2.466 . . . . 0.0 115.784 167.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.89 143.65 29.74 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 112.468 -2.151 . . . . 0.0 110.29 167.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -137.52 144.31 42.1 Favored 'General case' 0 N--CA 1.499 1.984 0 CA-C-N 114.651 -1.158 . . . . 0.0 110.078 174.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 85.9 mtt-85 -97.38 126.77 42.83 Favored 'General case' 0 CA--C 1.572 1.814 0 C-N-CA 125.534 1.534 . . . . 0.0 113.348 -167.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -140.35 95.44 2.88 Favored 'General case' 0 N--CA 1.413 -2.278 0 C-N-CA 126.177 1.791 . . . . 0.0 114.86 177.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.42 -124.76 35.88 Favored Glycine 1 CA--C 1.583 4.316 0 O-C-N 126.252 2.22 . . . . 0.0 113.107 -167.189 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -76.31 -25.56 54.92 Favored 'General case' 0 N--CA 1.482 1.162 1 C-N-CA 132.567 4.347 . . . . 0.0 112.397 -176.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 93.6 p -103.88 167.02 10.05 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 118.604 -2.56 . . . . 0.0 115.654 176.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 42.5 mtm -113.9 126.59 55.33 Favored 'General case' 0 C--O 1.267 1.983 0 N-CA-C 103.991 -2.596 . . . . 0.0 103.991 171.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 28.3 mm -94.82 150.44 4.1 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.983 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 172.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -127.64 145.8 50.76 Favored 'General case' 0 CA--C 1.564 1.481 0 CA-C-O 124.344 2.021 . . . . 0.0 114.491 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 1.5 m -133.96 172.28 13.03 Favored 'General case' 0 N--CA 1.401 -2.904 0 C-N-CA 131.194 3.798 . . . . 0.0 113.287 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 9.6 mp -72.72 156.58 38.79 Favored 'General case' 0 C--O 1.265 1.917 0 O-C-N 118.872 -2.392 . . . . 0.0 107.158 157.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . 0.299 21.4 t0 -71.24 -51.34 25.18 Favored 'General case' 0 C--O 1.285 2.967 0 O-C-N 119.861 -1.775 . . . . 0.0 111.65 -169.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -151.75 -176.04 5.46 Favored 'General case' 0 C--N 1.377 1.793 0 CA-C-O 124.67 2.176 . . . . 0.0 109.945 166.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.52 ' C ' HD12 ' B' ' 85' ' ' ILE . 1.1 pp -76.03 0.15 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.16 0 CA-C-N 110.154 -3.203 . . . . 0.0 115.99 -176.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -64.72 -64.04 0.97 Allowed 'General case' 0 C--N 1.281 -2.408 1 O-C-N 115.744 -4.347 . . . . 0.0 116.561 167.01 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . 0.334 1.6 m -62.29 -32.88 56.29 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.176 0 CA-C-N 114.395 -1.275 . . . . 0.0 112.834 173.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.02 -36.87 85.0 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 117.009 -3.557 . . . . 0.0 110.074 176.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 5.4 m -77.58 -32.15 53.54 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 123.759 1.742 . . . . 0.0 108.976 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 7.5 tmm? -67.19 -44.82 78.69 Favored 'General case' 0 N--CA 1.409 -2.497 0 N-CA-C 120.244 3.424 . . . . 0.0 120.244 172.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 tt -56.7 -50.12 73.11 Favored 'General case' 0 C--O 1.248 0.981 0 CA-C-N 113.237 -1.801 . . . . 0.0 108.145 166.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -73.01 -33.35 65.7 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 118.115 -2.866 . . . . 0.0 109.672 -170.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -79.19 -7.48 58.25 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 117.419 -3.301 . . . . 0.0 113.807 171.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.02 -48.14 22.11 Favored 'General case' 0 CA--C 1.562 1.432 0 CA-C-O 115.152 -2.356 . . . . 0.0 112.18 158.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 2.2 mm -54.98 -41.06 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.804 0 O-C-N 125.5 1.75 . . . . 0.0 110.499 166.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . 0.274 0.9 OUTLIER -64.94 -35.02 79.8 Favored 'General case' 0 N--CA 1.525 3.289 0 O-C-N 120.732 -1.23 . . . . 0.0 114.198 -178.785 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -80.42 -22.71 40.93 Favored 'General case' 0 CA--C 1.576 1.969 0 CA-C-O 124.802 2.239 . . . . 0.0 111.343 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -77.52 -15.75 59.09 Favored 'General case' 0 C--N 1.377 1.772 1 CA-C-O 129.814 4.626 . . . . 0.0 115.682 168.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -138.06 93.34 2.75 Favored 'General case' 0 C--O 1.265 1.898 1 O-C-N 114.18 -5.325 . . . . 0.0 109.584 -166.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -110.56 152.78 43.6 Favored Pre-proline 0 N--CA 1.512 2.671 0 CA-C-O 114.282 -2.77 . . . . 0.0 114.801 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -59.72 -24.7 76.62 Favored 'Trans proline' 0 CA--C 1.551 1.359 0 CA-C-N 124.684 2.709 . . . . 0.0 115.528 177.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -137.82 142.82 40.81 Favored 'General case' 0 CA--C 1.483 -1.622 0 CA-C-O 123.683 1.706 . . . . 0.0 107.807 -176.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 C--N 1.283 -2.31 0 CA-C-O 114.932 -2.461 . . . . 0.0 111.455 160.958 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.488 ' N ' HD21 ' A' ' 9' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.26 1.617 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 p -80.63 -39.52 27.27 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 118.347 -2.721 . . . . 0.0 110.993 161.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 47.33 -33.6 0.0 OUTLIER 'General case' 0 CA--C 1.581 2.16 1 C-N-CA 135.027 5.331 . . . . 0.0 116.593 177.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.4 p -148.58 -30.74 0.27 Allowed 'General case' 0 C--O 1.266 1.941 0 C-N-CA 130.162 3.385 . . . . 0.0 115.136 -172.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . 0.25 1.4 mm? -55.46 -41.48 72.99 Favored 'General case' 0 CA--C 1.561 1.367 0 CA-C-O 115.983 -1.96 . . . . 0.0 114.294 -173.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -62.82 -24.81 67.95 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 120.841 1.655 . . . . 0.0 115.378 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -81.21 -12.08 59.24 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 162.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.54 HG12 ' CZ ' ' A' ' 20' ' ' PHE . 4.0 t -83.93 -41.1 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.156 -0.965 . . . . 0.0 111.73 170.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.7 p -67.58 -26.7 66.41 Favored 'General case' 0 N--CA 1.512 2.637 0 C-N-CA 118.345 -1.342 . . . . 0.0 111.623 171.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -68.47 -15.54 63.58 Favored 'General case' 0 C--O 1.204 -1.303 0 C-N-CA 125.898 1.679 . . . . 0.0 112.658 167.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.426 HD11 HG13 ' A' ' 16' ' ' VAL . 2.7 pp -116.76 29.74 2.44 Favored 'Isoleucine or valine' 0 C--N 1.363 1.184 0 CA-C-N 120.943 1.701 . . . . 0.0 112.709 170.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.54 ' CZ ' HG12 ' A' ' 16' ' ' VAL . 10.2 m-85 -117.01 -37.88 3.5 Favored 'General case' 0 C--N 1.366 1.32 0 O-C-N 118.251 -2.781 . . . . 0.0 110.59 160.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -63.34 64.98 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.043 0 O-C-N 124.467 1.104 . . . . 0.0 110.856 150.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -176.99 -26.44 0.01 OUTLIER 'General case' 0 C--N 1.264 -3.112 0 O-C-N 128.554 3.659 . . . . 0.0 109.751 -176.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.6 mt -92.78 -123.5 0.09 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 127.841 2.456 . . . . 0.0 106.785 172.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.29 22.43 0.95 Allowed Glycine 1 CA--C 1.618 6.493 1 N-CA-C 123.864 4.306 . . . . 0.0 123.864 -179.346 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -145.42 -177.69 5.69 Favored 'General case' 0 C--N 1.396 2.598 0 N-CA-C 116.86 2.17 . . . . 0.0 116.86 164.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -99.2 -61.44 1.37 Allowed 'General case' 0 CA--C 1.552 1.035 0 O-C-N 119.104 -2.247 . . . . 0.0 114.065 -165.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -68.83 -45.38 71.3 Favored 'General case' 0 CA--C 1.574 1.875 0 O-C-N 117.144 -3.473 . . . . 0.0 109.167 -175.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -28.95 -30.81 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.587 0 C-N-CA 128.864 2.866 . . . . 0.0 116.083 169.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.9 pt -120.65 -12.43 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 174.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.1 ttp85 -62.6 -20.13 64.43 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 117.573 -3.204 . . . . 0.0 112.827 165.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.413 HG13 HD22 ' A' ' 49' ' ' LEU . 9.4 mt -80.34 -40.86 20.2 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.434 0 O-C-N 119.554 -1.966 . . . . 0.0 112.074 167.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 87.5 mtp -81.15 -50.04 10.09 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-O 115.101 -2.38 . . . . 0.0 108.119 -163.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.444 ' N ' HD22 ' A' ' 91' ' ' LEU . 10.4 tm-20 -11.75 -54.29 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.681 0 N-CA-C 120.43 3.493 . . . . 0.0 120.43 141.323 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.64 ' C ' HD13 ' A' ' 34' ' ' LEU 0.252 0.2 OUTLIER -81.39 -43.2 19.32 Favored 'General case' 0 N--CA 1.511 2.584 0 CA-C-N 113.782 -1.554 . . . . 0.0 112.561 -175.801 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.459 ' CD2' ' H ' ' A' ' 40' ' ' ALA . 90.0 mt -65.74 -25.87 67.48 Favored 'General case' 0 C--O 1.192 -1.955 0 O-C-N 121.606 -0.684 . . . . 0.0 109.973 -175.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.3 m -67.0 -5.94 14.89 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 129.401 3.081 . . . . 0.0 116.007 174.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.5 m -135.63 -21.72 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 167.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.5 m -155.01 113.5 3.53 Favored 'General case' 0 CA--C 1.489 -1.394 0 C-N-CA 125.645 1.578 . . . . 0.0 109.003 166.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -66.63 143.17 57.16 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 124.089 1.9 . . . . 0.0 112.894 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.459 ' H ' ' CD2' ' A' ' 35' ' ' LEU . . . -141.65 147.83 38.18 Favored 'General case' 0 CA--C 1.623 3.768 0 C-N-CA 129.007 2.923 . . . . 0.0 109.763 -174.028 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.9 t -103.81 170.45 7.92 Favored 'General case' 1 N--CA 1.587 6.394 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 171.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 t -23.7 -65.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.366 1.315 0 C-N-CA 126.238 1.815 . . . . 0.0 114.564 174.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.98 -38.85 94.82 Favored Glycine 0 C--N 1.338 0.687 0 O-C-N 126.095 2.122 . . . . 0.0 115.949 -178.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -84.73 -24.86 28.68 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 116.869 2.174 . . . . 0.0 116.869 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.408 HG23 HD13 ' A' ' 49' ' ' LEU . 54.3 mt -66.79 -55.72 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.793 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 169.151 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -43.46 -44.17 5.72 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 128.611 2.764 . . . . 0.0 114.593 169.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -60.37 -74.0 0.08 Allowed 'General case' 0 C--O 1.203 -1.359 0 O-C-N 118.186 -2.821 . . . . 0.0 113.692 163.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -71.0 -32.76 69.68 Favored 'General case' 0 CA--C 1.599 2.839 0 CA-C-O 122.803 1.287 . . . . 0.0 111.715 -154.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.413 HD22 HG13 ' A' ' 31' ' ' ILE . 2.7 mp -102.54 10.77 38.63 Favored 'General case' 0 CA--C 1.567 1.621 0 CA-C-O 116.905 -1.521 . . . . 0.0 111.139 176.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.4 m120 57.09 50.1 12.54 Favored 'General case' 0 N--CA 1.51 2.54 0 N-CA-C 118.883 2.92 . . . . 0.0 118.883 172.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.9 mt -112.9 -142.51 0.38 Allowed 'General case' 0 CA--C 1.584 2.279 0 C-N-CA 127.084 2.154 . . . . 0.0 113.424 -177.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.5 p -155.43 164.74 38.31 Favored 'General case' 0 CA--C 1.577 2.019 0 CA-C-N 120.638 1.563 . . . . 0.0 110.221 -178.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -74.43 -44.41 51.95 Favored 'General case' 0 N--CA 1.426 -1.627 0 C-N-CA 118.462 -1.295 . . . . 0.0 114.426 -166.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.5 m -68.22 -42.83 79.23 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 123.148 1.451 . . . . 0.0 109.313 -174.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -51.71 -48.88 63.39 Favored 'General case' 0 C--O 1.194 -1.847 1 C-N-CA 132.129 4.172 . . . . 0.0 112.125 171.229 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.512 ' C ' ' H ' ' A' ' 58' ' ' HIS . 74.7 t -83.13 -32.78 9.72 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.003 0 O-C-N 118.687 -2.508 . . . . 0.0 111.411 -175.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.6 m -60.16 10.15 0.02 OUTLIER 'General case' 0 C--O 1.248 1.003 0 O-C-N 117.08 -3.512 . . . . 0.0 113.701 162.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.512 ' H ' ' C ' ' A' ' 56' ' ' VAL . 52.4 t-80 -140.56 -30.73 0.64 Allowed 'General case' 0 CA--C 1.567 1.631 0 O-C-N 120.363 -1.46 . . . . 0.0 111.403 -178.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -95.22 -30.58 13.92 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 118.215 -2.803 . . . . 0.0 110.339 177.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.447 HD21 ' CD1' ' A' ' 80' ' ' TYR . 7.7 tp -60.61 -50.35 73.88 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 129.058 2.943 . . . . 0.0 111.563 156.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -62.71 -39.24 93.41 Favored 'General case' 0 C--N 1.393 2.473 0 N-CA-C 106.668 -1.605 . . . . 0.0 106.668 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.431 HD13 ' N ' ' A' ' 63' ' ' LEU . 2.7 tm? -52.3 -70.19 0.09 Allowed 'General case' 1 N--CA 1.54 4.038 0 CA-C-O 115.134 -2.365 . . . . 0.0 111.157 172.629 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.431 ' N ' HD13 ' A' ' 62' ' ' LEU . 92.7 mt -45.82 -53.6 9.41 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 124.122 1.915 . . . . 0.0 111.823 -174.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -49.86 -31.46 12.1 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 111.591 -2.549 . . . . 0.0 117.231 169.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.1 m -90.35 3.91 52.34 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 174.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.7 m -126.04 7.02 4.0 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.5 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 177.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.256 17.9 p-80 56.97 26.82 12.3 Favored 'General case' 0 N--CA 1.419 -2.005 0 CA-C-O 126.35 2.976 . . . . 0.0 115.503 175.095 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.5 mp -79.23 -24.95 42.7 Favored 'General case' 0 C--O 1.247 0.936 0 CA-C-N 113.344 -1.753 . . . . 0.0 115.699 159.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -126.52 155.88 37.07 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.688 0 C-N-CA 131.604 3.961 . . . . 0.0 118.024 -174.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -144.63 128.75 17.64 Favored 'General case' 0 N--CA 1.422 -1.825 0 O-C-N 120.156 -1.59 . . . . 0.0 111.657 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.782 ' HB2' ' CE2' ' A' ' 80' ' ' TYR . . . -81.09 146.7 30.47 Favored 'General case' 0 CA--C 1.572 1.798 0 C-N-CA 128.682 2.793 . . . . 0.0 112.704 173.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -150.19 151.95 33.88 Favored 'General case' 0 CA--C 1.485 -1.547 0 CA-C-O 122.843 1.306 . . . . 0.0 109.049 169.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 56.9 ttt-85 -98.01 123.99 42.28 Favored 'General case' 0 C--N 1.382 1.993 0 C-N-CA 125.114 1.366 . . . . 0.0 108.92 -171.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -144.91 119.94 10.04 Favored 'General case' 0 CA--C 1.608 3.185 0 N-CA-C 105.91 -1.885 . . . . 0.0 105.91 -174.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 50.86 -127.84 28.6 Favored Glycine 0 N--CA 1.44 -1.077 0 CA-C-N 112.5 -2.137 . . . . 0.0 113.834 -159.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -96.38 30.6 2.48 Favored 'General case' 0 C--N 1.388 2.257 0 CA-C-O 116.199 -1.858 . . . . 0.0 112.512 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.2 m -136.83 165.64 25.47 Favored 'General case' 0 C--N 1.289 -2.032 0 CA-C-O 124.639 2.161 . . . . 0.0 108.638 -169.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 93.6 mmm -112.07 129.31 56.26 Favored 'General case' 0 C--N 1.383 2.053 0 CA-C-N 111.298 -2.683 . . . . 0.0 112.988 160.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . 0.253 5.6 mm -99.88 155.84 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.52 0 N-CA-C 105.069 -2.197 . . . . 0.0 105.069 175.218 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.782 ' CE2' ' HB2' ' A' ' 71' ' ' ALA . 45.1 m-85 -135.85 149.29 48.99 Favored 'General case' 0 CA--C 1.461 -2.473 0 CA-C-N 110.383 -3.099 . . . . 0.0 113.533 177.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.8 m -146.78 165.94 28.14 Favored 'General case' 0 C--O 1.192 -1.97 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 -161.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -53.33 149.04 7.87 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-O 124.752 2.215 . . . . 0.0 109.502 163.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . 0.335 30.7 t70 -52.56 -58.35 7.05 Favored 'General case' 0 N--CA 1.506 2.344 1 O-C-N 113.623 -5.673 . . . . 0.0 113.845 167.633 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -156.7 -177.34 6.54 Favored 'General case' 0 C--O 1.248 0.991 0 CA-C-O 125.018 2.342 . . . . 0.0 110.448 172.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.8 tp -62.9 -18.01 20.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 116.657 -3.777 . . . . 0.0 114.277 176.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -69.03 -50.49 48.2 Favored 'General case' 0 C--O 1.209 -1.077 0 O-C-N 116.654 -3.779 . . . . 0.0 112.098 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.6 p -78.01 -34.74 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.999 0 CA-C-N 112.649 -2.069 . . . . 0.0 116.436 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -47.12 -49.13 22.66 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 120.335 1.425 . . . . 0.0 112.85 154.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.5 m -64.63 -53.34 49.19 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 -175.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 36.8 ttp -53.94 -44.87 71.01 Favored 'General case' 0 C--N 1.389 2.3 0 C-N-CA 125.872 1.669 . . . . 0.0 109.034 -172.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 33' ' ' GLU . 3.3 tt -66.15 -38.2 87.52 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 117.238 -3.414 . . . . 0.0 114.596 167.337 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.5 tptt -71.23 -41.1 70.59 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 119.262 -2.149 . . . . 0.0 114.755 -176.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -74.79 -16.64 60.7 Favored 'General case' 0 N--CA 1.507 2.414 0 O-C-N 120.208 -1.558 . . . . 0.0 114.918 172.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -78.78 -42.75 27.11 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 117.452 2.39 . . . . 0.0 117.452 164.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -57.01 -21.22 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.287 0 C-N-CA 125.856 1.663 . . . . 0.0 110.183 169.174 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -90.88 0.59 57.45 Favored 'General case' 0 CA--C 1.555 1.164 0 N-CA-C 117.547 2.425 . . . . 0.0 117.547 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -119.18 6.65 11.24 Favored 'General case' 0 N--CA 1.521 3.122 0 O-C-N 120.247 -1.533 . . . . 0.0 114.533 163.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.636 ' HB1' ' HB2' ' B' ' 15' ' ' ARG . . . -67.77 -47.86 68.02 Favored 'General case' 0 N--CA 1.505 2.288 0 C-N-CA 126.124 1.77 . . . . 0.0 113.012 164.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -136.39 177.2 8.03 Favored 'General case' 0 N--CA 1.507 2.418 0 CA-C-N 119.272 0.942 . . . . 0.0 112.231 164.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -141.12 60.95 13.32 Favored Pre-proline 0 N--CA 1.513 2.683 0 O-C-N 126.432 2.333 . . . . 0.0 111.6 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -62.82 166.43 13.97 Favored 'Trans proline' 0 N--CA 1.429 -2.309 1 C-N-CA 127.148 5.232 . . . . 0.0 113.299 -165.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -102.17 151.73 21.85 Favored 'General case' 0 N--CA 1.422 -1.867 0 CA-C-N 112.98 -1.918 . . . . 0.0 113.9 174.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 C--N 1.393 2.483 0 O-C-N 116.734 -3.728 . . . . 0.0 108.691 -172.643 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 8.2 m120 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 62.9 p -137.29 -21.86 1.17 Allowed 'General case' 0 C--N 1.365 1.264 0 O-C-N 118.012 -2.93 . . . . 0.0 112.827 175.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 34.76 -15.76 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.679 0 N-CA-C 119.873 3.286 . . . . 0.0 119.873 -150.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 33.0 p -116.0 -57.18 2.24 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-N 121.978 2.172 . . . . 0.0 107.673 -162.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.2 -53.93 19.0 Favored 'General case' 0 C--O 1.186 -2.248 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 165.476 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -47.7 -5.61 0.01 OUTLIER 'General case' 0 C--N 1.276 -2.592 0 C-N-CA 127.393 2.277 . . . . 0.0 116.009 161.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.636 ' HB2' ' HB1' ' A' ' 98' ' ' ALA . 2.7 mmp_? -132.02 -19.27 2.57 Favored 'General case' 0 N--CA 1.404 -2.769 0 N-CA-C 119.707 3.225 . . . . 0.0 119.707 177.377 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.476 HG12 HD12 ' B' ' 19' ' ' ILE . 21.4 m -88.03 -12.33 10.44 Favored 'Isoleucine or valine' 0 C--N 1.369 1.443 0 O-C-N 117.674 -3.141 . . . . 0.0 115.208 171.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.5 p -68.37 -38.04 81.02 Favored 'General case' 0 C--O 1.199 -1.6 0 C-N-CA 117.016 -1.874 . . . . 0.0 110.671 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . 0.262 5.1 tp10 -52.59 -36.7 56.68 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-N 112.429 -2.169 . . . . 0.0 115.692 162.273 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.476 HD12 HG12 ' B' ' 16' ' ' VAL . 50.4 mt -76.53 -42.93 35.48 Favored 'Isoleucine or valine' 0 C--O 1.259 1.576 0 CA-C-O 114.579 -2.629 . . . . 0.0 111.695 169.607 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . 0.27 5.1 m-30 -79.75 -9.94 59.72 Favored 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 130.801 3.641 . . . . 0.0 110.713 -167.375 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -84.05 -42.63 15.94 Favored 'General case' 0 C--O 1.276 2.483 0 C-N-CA 127.656 2.383 . . . . 0.0 115.247 157.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.73 -16.04 61.66 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 -176.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 80.9 mt -67.51 -11.81 58.84 Favored 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 124.931 1.293 . . . . 0.0 113.383 178.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.09 42.86 0.3 Allowed Glycine 0 C--O 1.197 -2.209 0 C-N-CA 130.1 3.714 . . . . 0.0 115.347 -161.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -157.72 131.9 8.21 Favored 'General case' 0 CA--C 1.597 2.754 0 CA-C-N 121.316 2.558 . . . . 0.0 106.027 173.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -33.83 74.43 Favored 'General case' 0 CA--C 1.564 1.509 0 CA-C-N 120.061 1.301 . . . . 0.0 110.152 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -69.0 -42.38 76.52 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -178.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -56.76 -35.01 68.15 Favored 'General case' 0 C--O 1.168 -3.194 0 C-N-CA 123.859 0.864 . . . . 0.0 111.596 174.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 13.2 mm -89.62 -45.73 15.22 Favored 'Isoleucine or valine' 0 C--O 1.258 1.514 0 C-N-CA 126.538 1.935 . . . . 0.0 113.279 -169.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -54.12 -24.16 16.67 Favored 'General case' 0 C--N 1.396 2.623 0 C-N-CA 127.108 2.163 . . . . 0.0 107.897 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 31.5 mt -72.8 -38.05 56.53 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.749 0 O-C-N 118.88 -2.388 . . . . 0.0 111.776 171.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' MET . . . . . 0.467 ' HB2' ' CD1' ' B' ' 91' ' ' LEU 0.256 70.5 mtm -91.01 -43.24 10.06 Favored 'General case' 0 C--N 1.289 -2.032 1 O-C-N 116.289 -4.007 . . . . 0.0 114.035 -173.199 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -21.73 -43.33 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 127.271 2.228 . . . . 0.0 114.979 135.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.553 ' O ' HG22 ' B' ' 37' ' ' VAL . 0.4 OUTLIER -78.0 -54.09 6.68 Favored 'General case' 0 C--O 1.265 1.872 0 O-C-N 118.989 -2.319 . . . . 0.0 114.437 168.196 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.409 ' CD2' ' H ' ' B' ' 40' ' ' ALA . 30.9 mt -61.35 -32.62 72.51 Favored 'General case' 0 CA--C 1.592 2.574 0 C-N-CA 127.757 2.423 . . . . 0.0 115.433 -170.024 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 36.9 p -62.95 -10.2 12.72 Favored 'General case' 0 N--CA 1.518 2.944 0 CA-C-N 110.653 -2.976 . . . . 0.0 117.735 164.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.553 HG22 ' O ' ' B' ' 34' ' ' LEU 0.296 20.8 m -117.05 -52.28 4.41 Favored 'Isoleucine or valine' 0 C--N 1.365 1.279 0 C-N-CA 129.82 3.248 . . . . 0.0 111.649 172.237 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 9.1 t -130.47 138.67 50.38 Favored 'General case' 0 C--O 1.202 -1.441 0 C-N-CA 128.895 2.878 . . . . 0.0 115.064 166.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -78.14 134.47 37.67 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 117.838 2.532 . . . . 0.0 117.838 177.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.409 ' H ' ' CD2' ' B' ' 35' ' ' LEU . . . -144.01 156.85 44.55 Favored 'General case' 0 C--O 1.254 1.314 0 O-C-N 119.918 -1.739 . . . . 0.0 110.238 -176.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.418 ' HB2' ' HA ' ' B' ' 79' ' ' ILE . 41.2 t -122.42 150.6 42.24 Favored 'General case' 0 C--O 1.255 1.384 0 O-C-N 127.846 3.217 . . . . 0.0 108.228 -175.25 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 40.6 t -15.0 -65.78 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.96 0 O-C-N 127.409 2.943 . . . . 0.0 118.652 -176.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.8 -45.39 79.71 Favored Glycine 0 CA--C 1.575 3.798 0 O-C-N 126.694 2.496 . . . . 0.0 110.761 -177.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -80.19 -39.11 29.86 Favored 'General case' 0 N--CA 1.419 -2.016 0 C-N-CA 126.437 1.895 . . . . 0.0 111.127 -177.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.561 HG23 HD13 ' B' ' 49' ' ' LEU . 92.3 mt -50.39 -40.5 18.37 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.205 0 O-C-N 119.848 -1.782 . . . . 0.0 112.267 165.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 43.1 m -64.8 -22.76 67.05 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 177.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . 0.255 5.9 t-80 -88.84 -40.21 13.3 Favored 'General case' 0 N--CA 1.512 2.659 0 C-N-CA 124.282 1.033 . . . . 0.0 111.539 173.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -81.51 -24.66 36.53 Favored 'General case' 0 C--O 1.209 -1.028 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -171.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.561 HD13 HG23 ' B' ' 45' ' ' ILE . 5.3 mp -124.45 11.36 8.63 Favored 'General case' 0 C--N 1.363 1.188 0 N-CA-C 117.118 2.266 . . . . 0.0 117.118 179.23 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 20.0 m120 49.31 56.81 7.25 Favored 'General case' 0 C--O 1.279 2.643 0 C-N-CA 126.992 2.117 . . . . 0.0 106.097 170.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 72.5 mt -109.46 158.34 18.06 Favored 'General case' 0 CA--C 1.578 2.029 0 C-N-CA 128.584 2.753 . . . . 0.0 104.654 168.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.0 p -76.11 144.51 40.61 Favored 'General case' 0 CA--C 1.555 1.145 0 O-C-N 120.563 -1.336 . . . . 0.0 112.471 163.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -63.57 -36.59 84.3 Favored 'General case' 0 C--O 1.204 -1.316 0 O-C-N 116.615 -3.803 . . . . 0.0 108.625 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.0 m -67.5 -23.59 65.49 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 121.228 1.831 . . . . 0.0 111.426 -177.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -76.02 -39.02 56.6 Favored 'General case' 0 C--O 1.3 3.733 0 O-C-N 118.83 -2.419 . . . . 0.0 112.412 168.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . 0.387 21.7 t -76.14 -34.66 26.82 Favored 'Isoleucine or valine' 0 C--O 1.279 2.615 0 CA-C-O 113.888 -2.958 . . . . 0.0 113.154 -178.358 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 29.3 m -58.07 0.53 0.06 Allowed 'General case' 0 C--N 1.37 1.462 0 O-C-N 126.605 2.441 . . . . 0.0 114.84 162.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -124.57 -37.48 2.5 Favored 'General case' 0 CA--C 1.485 -1.535 0 CA-C-N 120.073 1.306 . . . . 0.0 114.512 174.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -66.84 -40.44 87.94 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 118.386 -2.696 . . . . 0.0 110.773 174.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 tp -66.05 -36.22 82.64 Favored 'General case' 0 C--O 1.277 2.519 0 O-C-N 119.343 -2.098 . . . . 0.0 108.373 177.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -76.44 -36.0 58.19 Favored 'General case' 0 C--N 1.376 1.757 0 O-C-N 116.96 -3.588 . . . . 0.0 113.628 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -53.1 -60.81 2.82 Favored 'General case' 0 C--O 1.251 1.144 0 CA-C-N 120.263 1.392 . . . . 0.0 108.089 168.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 86.3 mt -55.06 -37.84 67.26 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 123.859 0.725 . . . . 0.0 112.609 -174.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -55.83 -56.64 18.17 Favored 'General case' 0 C--O 1.207 -1.155 0 C-N-CA 128.915 2.886 . . . . 0.0 107.971 179.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.0 m -62.54 -8.54 6.52 Favored 'General case' 0 CA--C 1.573 1.839 0 C-N-CA 129.726 3.211 . . . . 0.0 118.352 171.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 1.3 m -112.87 19.95 6.84 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.916 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 159.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 27.9 m170 56.52 13.73 1.44 Allowed 'General case' 0 C--O 1.272 2.256 0 N-CA-C 118.205 2.668 . . . . 0.0 118.205 170.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.462 HD21 HG12 ' B' ' 19' ' ' ILE . 10.5 mt -86.38 -23.08 26.27 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.393 -0.817 . . . . 0.0 109.505 171.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.0 t -108.86 151.8 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 O-C-N 125.314 1.634 . . . . 0.0 112.002 169.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.501 ' HG2' ' HB2' ' B' ' 81' ' ' SER . 18.7 ptmt -132.5 161.39 33.88 Favored 'General case' 0 N--CA 1.501 2.093 0 CA-C-N 114.808 -1.087 . . . . 0.0 113.391 158.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' ALA . . . . . 0.411 ' HB2' ' CE2' ' B' ' 80' ' ' TYR . . . -96.95 171.59 8.4 Favored 'General case' 0 C--O 1.265 1.908 0 CA-C-N 113.475 -1.693 . . . . 0.0 110.18 159.039 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -157.99 138.79 13.06 Favored 'General case' 0 N--CA 1.488 1.457 1 C-N-CA 135.453 5.501 . . . . 0.0 111.279 164.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.468 ' HG2' ' HG2' ' B' ' 78' ' ' MET . 55.3 mtt-85 -93.75 127.79 39.64 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 105.856 -1.905 . . . . 0.0 105.856 -175.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -144.48 116.39 8.3 Favored 'General case' 0 N--CA 1.418 -2.032 0 CA-C-O 114.975 -2.441 . . . . 0.0 112.347 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.53 -162.53 29.24 Favored Glycine 1 N--CA 1.518 4.126 0 C-N-CA 117.281 -2.39 . . . . 0.0 112.145 -166.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -78.97 37.56 0.31 Allowed 'General case' 0 C--O 1.269 2.101 0 N-CA-C 115.489 1.663 . . . . 0.0 115.489 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 85.6 p -155.8 171.07 20.65 Favored 'General case' 0 C--N 1.284 -2.255 0 N-CA-C 116.283 1.957 . . . . 0.0 116.283 169.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.468 ' HG2' ' HG2' ' B' ' 73' ' ' ARG . 36.5 mtm -93.74 129.15 40.18 Favored 'General case' 0 N--CA 1.51 2.575 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 170.066 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.418 ' HA ' ' HB2' ' B' ' 41' ' ' SER 0.263 43.3 mm -86.63 156.92 3.3 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 161.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 80' ' ' TYR . . . . . 0.411 ' CE2' ' HB2' ' B' ' 71' ' ' ALA . 53.6 m-85 -127.12 149.98 49.7 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 126.827 2.051 . . . . 0.0 113.157 179.024 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.501 ' HB2' ' HG2' ' B' ' 70' ' ' LYS . 58.1 m -143.81 156.24 44.41 Favored 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 128.925 2.89 . . . . 0.0 110.321 -170.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 mt -48.57 141.85 6.58 Favored 'General case' 0 C--O 1.261 1.661 0 O-C-N 119.952 -1.717 . . . . 0.0 110.791 147.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -65.47 -41.97 92.76 Favored 'General case' 0 CA--C 1.492 -1.26 0 O-C-N 120.265 -1.522 . . . . 0.0 114.442 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -167.53 -175.45 2.84 Favored 'General case' 0 C--O 1.248 0.998 0 C-N-CA 118.105 -1.438 . . . . 0.0 112.048 158.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.8 pp -64.57 -2.59 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 C-N-CA 127.094 2.157 . . . . 0.0 112.009 -172.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -72.42 -69.21 0.42 Allowed 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 123.492 2.86 . . . . 0.0 111.96 172.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.422 ' HA ' ' HB3' ' B' ' 90' ' ' MET . 3.2 m -77.05 -15.8 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.339 0 CA-C-N 124.284 3.22 . . . . 0.0 112.652 -177.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.07 -49.75 65.77 Favored 'General case' 1 CA--C 1.642 4.506 0 C-N-CA 128.949 2.9 . . . . 0.0 106.254 161.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 89.0 m -77.4 -33.3 55.08 Favored 'General case' 0 C--N 1.285 -2.205 0 CA-C-O 116.947 -1.502 . . . . 0.0 112.079 -172.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' MET . . . . . 0.422 ' HB3' ' HA ' ' B' ' 87' ' ' VAL . 14.7 tmm? -57.89 -51.41 69.74 Favored 'General case' 0 N--CA 1.512 2.672 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 162.205 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' B' ' 32' ' ' MET . 5.4 tt -66.61 -54.28 25.15 Favored 'General case' 0 N--CA 1.49 1.535 1 CA-C-O 110.932 -4.366 . . . . 0.0 108.605 178.482 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -52.73 -34.28 51.96 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 124.679 3.4 . . . . 0.0 111.492 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -82.69 -12.75 57.36 Favored 'General case' 0 C--O 1.252 1.214 0 C-N-CA 126.362 1.865 . . . . 0.0 113.083 -177.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.64 -45.46 19.02 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.545 1.938 . . . . 0.0 107.362 172.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 2.8 mm -59.37 -43.51 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 120.868 -1.145 . . . . 0.0 108.268 169.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -64.18 -32.24 73.74 Favored 'General case' 0 CA--C 1.585 2.3 0 O-C-N 121.24 -0.912 . . . . 0.0 112.8 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -70.75 -40.73 72.52 Favored 'General case' 0 N--CA 1.424 -1.754 0 C-N-CA 117.433 -1.707 . . . . 0.0 113.651 171.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.57 -23.99 66.35 Favored 'General case' 0 N--CA 1.533 3.702 0 N-CA-C 119.115 3.006 . . . . 0.0 119.115 168.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -128.35 85.31 2.32 Favored 'General case' 0 C--N 1.372 1.577 0 O-C-N 127.101 2.751 . . . . 0.0 108.305 -170.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -91.82 159.5 38.06 Favored Pre-proline 0 CA--C 1.586 2.348 0 O-C-N 127.634 3.084 . . . . 0.0 113.54 176.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -75.1 -36.06 2.71 Favored 'Trans proline' 0 CA--C 1.465 -2.964 0 C-N-CA 115.663 -2.425 . . . . 0.0 113.453 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -123.7 168.48 12.63 Favored 'General case' 0 CA--C 1.577 2.008 0 CA-C-N 121.177 1.808 . . . . 0.0 111.822 168.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 . . . . . 0 N--CA 1.512 2.647 0 O-C-N 117.812 -3.055 . . . . 0.0 109.51 161.58 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 . . . . . 0 CA--C 1.482 -1.65 0 CA-C-O 120.948 0.404 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.7 p -132.59 -42.59 0.93 Allowed 'General case' 0 N--CA 1.525 3.28 0 CA-C-N 114.518 -1.219 . . . . 0.0 112.159 176.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 49.84 -34.52 0.0 OUTLIER 'General case' 0 N--CA 1.523 3.223 1 N-CA-C 122.537 4.273 . . . . 0.0 122.537 -172.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.1 p -147.03 -37.92 0.21 Allowed 'General case' 0 C--O 1.273 2.325 0 C-N-CA 126.575 1.95 . . . . 0.0 115.347 -174.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.44 -31.05 70.99 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-O 115.558 -2.163 . . . . 0.0 113.759 -163.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -58.39 -18.59 29.1 Favored 'General case' 0 C--O 1.204 -1.295 0 CA-C-N 123.523 2.874 . . . . 0.0 110.009 176.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -93.17 -23.6 18.52 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 127.536 2.334 . . . . 0.0 112.903 -175.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.5 t -99.09 -40.68 9.15 Favored 'Isoleucine or valine' 0 C--O 1.247 0.939 0 C-N-CA 127.975 2.51 . . . . 0.0 109.28 -165.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.1 p -40.27 -38.25 0.76 Allowed 'General case' 0 C--O 1.218 -0.564 0 O-C-N 117.069 -3.52 . . . . 0.0 113.179 154.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -58.56 -24.18 60.18 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 119.88 1.218 . . . . 0.0 113.662 175.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.3 pp -104.95 17.64 5.42 Favored 'Isoleucine or valine' 0 C--O 1.26 1.612 0 O-C-N 119.084 -2.26 . . . . 0.0 113.606 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -106.73 -43.62 4.66 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.409 1.884 . . . . 0.0 111.454 161.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -59.46 61.91 0.0 OUTLIER 'General case' 0 C--N 1.28 -2.446 0 C-N-CA 130.324 3.45 . . . . 0.0 112.753 147.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -165.39 -38.9 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.107 1 CA-C-N 107.343 -4.48 . . . . 0.0 106.709 173.13 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.482 HD13 ' CG ' ' B' ' 20' ' ' PHE . 4.9 mt -81.44 -135.12 0.03 OUTLIER 'General case' 0 N--CA 1.524 3.246 0 C-N-CA 131.436 3.894 . . . . 0.0 110.151 -176.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.86 14.89 32.49 Favored Glycine 0 CA--C 1.555 2.552 0 O-C-N 127.885 3.24 . . . . 0.0 117.743 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -130.75 171.12 13.47 Favored 'General case' 0 C--N 1.396 2.627 0 O-C-N 125.86 1.564 . . . . 0.0 111.972 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -89.76 -70.57 0.66 Allowed 'General case' 0 C--N 1.363 1.181 0 C-N-CA 126.682 1.993 . . . . 0.0 112.317 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -65.73 -52.25 52.7 Favored 'General case' 0 CA--C 1.578 2.035 0 O-C-N 125.515 1.759 . . . . 0.0 110.331 -168.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.587 ' HG2' HD21 ' A' ' 63' ' ' LEU . 32.6 ttm180 -22.44 -34.41 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.417 0 C-N-CA 131.353 3.861 . . . . 0.0 117.137 167.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.536 HG13 HD11 ' B' ' 13' ' ' LEU . 16.2 pt -118.02 -14.46 9.63 Favored 'Isoleucine or valine' 0 C--O 1.263 1.806 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.8 ttp85 -63.72 -26.05 68.48 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 125.67 2.653 . . . . 0.0 111.672 161.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.2 mt -65.35 -51.62 62.18 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.294 0 O-C-N 119.004 -2.31 . . . . 0.0 112.487 167.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.564 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 29.2 mtp -83.93 -44.76 13.9 Favored 'General case' 0 C--O 1.261 1.67 0 O-C-N 119.73 -1.856 . . . . 0.0 115.562 -170.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -21.39 -52.01 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 117.924 2.565 . . . . 0.0 117.924 145.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.89 -57.1 4.12 Favored 'General case' 0 N--CA 1.517 2.879 0 C-N-CA 119.565 -0.854 . . . . 0.0 112.031 179.231 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.444 HD23 ' H ' ' A' ' 40' ' ' ALA . 73.5 mt -52.59 -22.87 5.47 Favored 'General case' 0 C--O 1.19 -2.06 0 N-CA-C 117.04 2.237 . . . . 0.0 117.04 -173.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.256 8.5 m -74.78 -10.32 59.4 Favored 'General case' 0 C--O 1.182 -2.462 0 CA-C-N 110.889 -2.868 . . . . 0.0 112.83 177.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.2 m -140.04 -23.11 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 CA-C-N 115.248 -0.887 . . . . 0.0 112.803 -174.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.2 m -161.53 95.77 1.02 Allowed 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 124.918 2.294 . . . . 0.0 109.453 156.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -55.76 142.82 33.17 Favored 'General case' 0 N--CA 1.522 3.135 0 N-CA-C 117.537 2.421 . . . . 0.0 117.537 -176.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.444 ' H ' HD23 ' A' ' 35' ' ' LEU . . . -142.95 166.69 23.96 Favored 'General case' 0 C--N 1.421 3.681 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 173.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.5 t -96.8 154.0 17.55 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 112.019 -2.355 . . . . 0.0 110.544 169.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.424 ' CG2' HD23 ' A' ' 60' ' ' LEU . 38.6 t -12.8 -64.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.267 1.986 0 C-N-CA 130.023 3.329 . . . . 0.0 119.759 171.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.76 -40.75 93.32 Favored Glycine 0 C--O 1.276 2.758 0 N-CA-C 118.972 2.349 . . . . 0.0 118.972 171.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -89.83 -24.43 21.42 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 120.288 2.044 . . . . 0.0 105.589 -173.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.3 mt -50.84 -61.51 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.266 0 CA-C-N 118.676 0.671 . . . . 0.0 109.973 158.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.451 ' HA ' ' HB2' ' A' ' 51' ' ' LEU . 29.5 m -58.44 -16.28 14.37 Favored 'General case' 0 N--CA 1.424 -1.768 0 C-N-CA 129.072 2.949 . . . . 0.0 112.033 178.333 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -89.92 -61.03 1.78 Allowed 'General case' 0 N--CA 1.506 2.339 0 CA-C-O 114.546 -2.645 . . . . 0.0 109.128 172.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -77.23 -27.96 53.55 Favored 'General case' 0 C--N 1.285 -2.222 0 C-N-CA 128.148 2.579 . . . . 0.0 107.029 -163.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 mp -96.79 -4.45 40.48 Favored 'General case' 0 CA--C 1.558 1.265 1 O-C-N 114.836 -4.915 . . . . 0.0 108.557 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.265 30.8 m120 47.13 65.14 1.32 Allowed 'General case' 0 N--CA 1.425 -1.679 0 O-C-N 117.714 -3.117 . . . . 0.0 113.16 -174.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 46' ' ' SER . 79.9 mt -108.22 -133.25 0.33 Allowed 'General case' 0 C--N 1.391 2.39 0 CA-C-N 111.679 -2.51 . . . . 0.0 113.798 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.1 p -159.02 151.49 21.55 Favored 'General case' 0 N--CA 1.52 3.046 0 CA-C-O 117.793 -1.099 . . . . 0.0 109.02 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -60.24 -31.98 70.7 Favored 'General case' 0 N--CA 1.509 2.502 0 O-C-N 125.499 1.749 . . . . 0.0 111.288 174.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . 0.252 29.8 m -63.39 -30.46 71.58 Favored 'General case' 0 N--CA 1.525 3.299 0 C-N-CA 128.675 2.79 . . . . 0.0 110.36 170.033 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -80.38 -43.75 20.56 Favored 'General case' 0 CA--C 1.559 1.314 0 CA-C-O 128.303 3.906 . . . . 0.0 105.895 -171.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.7 t -91.16 -37.04 8.68 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.608 1 O-C-N 116.143 -4.098 . . . . 0.0 113.643 -158.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.7 m -70.75 18.73 0.06 Allowed 'General case' 0 CA--C 1.555 1.166 0 O-C-N 119.673 -1.892 . . . . 0.0 115.754 166.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -122.81 -50.02 1.97 Allowed 'General case' 0 C--O 1.25 1.118 0 C-N-CA 128.064 2.546 . . . . 0.0 108.431 175.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -90.34 -41.03 11.74 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 130.048 3.339 . . . . 0.0 110.896 -171.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.424 HD23 ' CG2' ' A' ' 42' ' ' VAL . 21.9 tp -67.82 -34.77 77.4 Favored 'General case' 0 CA--C 1.56 1.361 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 171.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -65.67 -45.88 81.23 Favored 'General case' 0 C--O 1.189 -2.126 0 CA-C-O 114.618 -2.61 . . . . 0.0 113.201 170.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.537 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -57.44 -52.79 63.96 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 125.203 1.564 . . . . 0.0 108.899 179.699 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.587 HD21 ' HG2' ' A' ' 28' ' ' ARG . 38.2 mt -58.68 -37.54 76.27 Favored 'General case' 0 CA--C 1.475 -1.93 0 CA-C-O 126.939 3.257 . . . . 0.0 111.49 -171.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -52.77 -54.9 27.48 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 131.491 3.916 . . . . 0.0 109.155 173.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.4 m -59.57 -26.67 65.59 Favored 'General case' 0 CA--C 1.582 2.198 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 177.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.266 33.7 m -106.22 10.97 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.629 0 CA-C-O 122.929 1.347 . . . . 0.0 114.345 -175.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.7 p80 61.76 24.11 14.29 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 130.747 3.619 . . . . 0.0 116.619 173.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.3 mp -84.13 -25.28 29.8 Favored 'General case' 0 CA--C 1.499 -0.995 0 CA-C-N 112.974 -1.921 . . . . 0.0 108.291 173.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.285 2.3 t -112.45 157.43 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 130.508 3.523 . . . . 0.0 110.861 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -130.11 145.2 51.68 Favored 'General case' 0 N--CA 1.503 2.213 0 C-N-CA 127.674 2.389 . . . . 0.0 113.389 154.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -91.54 150.54 21.15 Favored 'General case' 0 CA--C 1.577 2.016 1 O-C-N 129.146 4.028 . . . . 0.0 114.848 165.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -154.5 152.52 30.19 Favored 'General case' 0 CA--C 1.494 -1.182 0 O-C-N 126.321 2.263 . . . . 0.0 113.303 163.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -91.37 140.2 30.0 Favored 'General case' 0 N--CA 1.517 2.879 0 CA-C-O 115.868 -2.015 . . . . 0.0 109.74 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -125.33 111.71 15.5 Favored 'General case' 0 C--O 1.262 1.737 0 C-N-CA 129.801 3.24 . . . . 0.0 111.388 156.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 47.38 -125.26 10.24 Favored Glycine 0 N--CA 1.504 3.176 0 CA-C-N 123.332 2.787 . . . . 0.0 113.778 -169.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -91.85 30.48 1.37 Allowed 'General case' 0 N--CA 1.52 3.027 0 CA-C-N 112.306 -1.947 . . . . 0.0 111.769 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.9 m -141.05 157.86 44.73 Favored 'General case' 0 C--O 1.252 1.206 0 O-C-N 117.586 -3.196 . . . . 0.0 112.428 166.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 28.6 mtt -105.35 148.14 27.39 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 118.125 -1.43 . . . . 0.0 108.063 160.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.5 mm -108.45 149.95 11.43 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.352 0 C-N-CA 130.537 3.535 . . . . 0.0 107.621 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -134.99 145.95 48.6 Favored 'General case' 0 C--N 1.382 2.021 0 O-C-N 120.124 -1.61 . . . . 0.0 112.499 -173.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . 0.381 20.0 m -158.52 174.52 14.96 Favored 'General case' 0 CA--C 1.483 -1.613 0 N-CA-C 120.916 3.673 . . . . 0.0 120.916 -163.544 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -56.1 132.27 49.82 Favored 'General case' 0 C--N 1.309 -1.187 0 C-N-CA 127.177 2.191 . . . . 0.0 113.826 166.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.07 -56.24 18.62 Favored 'General case' 0 CA--C 1.583 2.24 0 O-C-N 118.158 -2.839 . . . . 0.0 113.247 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -151.75 -179.33 7.34 Favored 'General case' 0 C--O 1.28 2.689 0 CA-C-O 113.391 -3.195 . . . . 0.0 118.144 169.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.446 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 9.3 tp -60.59 -20.58 21.38 Favored 'Isoleucine or valine' 0 C--O 1.263 1.783 0 N-CA-C 118.197 2.665 . . . . 0.0 118.197 -175.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -61.86 -45.4 93.94 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 122.067 0.937 . . . . 0.0 108.784 175.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.1 p -96.2 -28.77 3.89 Favored 'Isoleucine or valine' 0 C--O 1.175 -2.844 0 CA-C-O 115.109 -2.377 . . . . 0.0 106.467 -165.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.446 ' HB3' ' HA ' ' A' ' 85' ' ' ILE . . . -51.54 -34.31 35.87 Favored 'General case' 0 N--CA 1.507 2.421 0 CA-C-N 119.76 1.164 . . . . 0.0 113.9 154.408 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.7 m -82.36 -45.64 14.62 Favored 'General case' 0 CA--C 1.499 -0.992 0 O-C-N 119.906 -1.746 . . . . 0.0 112.462 175.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 39.7 ttp -49.81 -58.82 4.6 Favored 'General case' 0 CA--C 1.589 2.45 0 O-C-N 118.303 -2.748 . . . . 0.0 117.029 -175.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.564 ' CD1' ' HB2' ' A' ' 32' ' ' MET . 4.0 tt -63.34 -44.03 96.04 Favored 'General case' 0 N--CA 1.427 -1.593 0 O-C-N 125.723 1.889 . . . . 0.0 108.84 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -66.49 -26.94 67.41 Favored 'General case' 0 N--CA 1.514 2.726 0 O-C-N 119.963 -1.711 . . . . 0.0 112.513 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -84.98 -17.22 38.29 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-N 120.657 1.571 . . . . 0.0 113.936 172.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.437 ' C ' ' H ' ' A' ' 96' ' ' HIS . . . -84.29 -45.81 12.45 Favored 'General case' 0 CA--C 1.606 3.121 0 CA-C-O 114.882 -2.485 . . . . 0.0 110.055 176.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.46 HD11 HD22 ' B' ' 13' ' ' LEU . 0.3 OUTLIER -47.77 -8.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.392 2.425 0 C-N-CA 130.622 3.569 . . . . 0.0 114.362 160.778 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.437 ' H ' ' C ' ' A' ' 94' ' ' ALA . 0.8 OUTLIER -107.89 -18.64 13.75 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 125.871 1.982 . . . . 0.0 111.668 -170.043 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . 0.285 7.9 t60 -101.57 -18.01 16.11 Favored 'General case' 0 CA--C 1.559 1.317 0 O-C-N 118.002 -2.936 . . . . 0.0 113.837 169.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.437 ' HB1' ' HB2' ' B' ' 15' ' ' ARG . . . -44.56 -28.8 0.63 Allowed 'General case' 0 C--N 1.385 2.134 0 C-N-CA 126.658 1.983 . . . . 0.0 113.113 167.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -167.32 153.6 8.0 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 131.679 3.991 . . . . 0.0 107.484 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -122.46 71.49 37.02 Favored Pre-proline 0 CA--C 1.573 1.852 0 C-N-CA 126.213 1.805 . . . . 0.0 111.511 177.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -84.58 -164.42 0.24 Allowed 'Trans proline' 0 N--CA 1.409 -3.497 1 C-N-CA 125.999 4.466 . . . . 0.0 114.292 -165.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -137.19 146.77 45.29 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 115.315 1.598 . . . . 0.0 115.315 176.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 . . . . . 0 C--O 1.275 2.402 0 O-C-N 118.116 -2.865 . . . . 0.0 117.926 -179.069 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 m120 . . . . . 0 N--CA 1.484 1.261 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 10.6 p -115.28 -18.64 11.03 Favored 'General case' 0 CA--C 1.587 2.384 1 C-N-CA 131.717 4.007 . . . . 0.0 111.07 169.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 52.64 -31.06 0.01 OUTLIER 'General case' 1 N--CA 1.562 5.145 0 C-N-CA 130.146 3.378 . . . . 0.0 119.303 -167.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.4 p -137.13 -48.95 0.61 Allowed 'General case' 0 N--CA 1.527 3.418 0 O-C-N 118.06 -2.9 . . . . 0.0 108.717 -151.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.536 HD11 HG13 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -50.66 -46.95 58.74 Favored 'General case' 0 C--O 1.204 -1.312 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 170.556 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -63.59 2.62 0.42 Allowed 'General case' 0 C--O 1.244 0.813 0 N-CA-C 118.641 2.83 . . . . 0.0 118.641 171.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.437 ' HB2' ' HB1' ' A' ' 98' ' ' ALA 0.402 3.0 mmp_? -127.62 -13.58 5.34 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 126.944 2.098 . . . . 0.0 115.039 178.067 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.57 HG12 HD12 ' B' ' 19' ' ' ILE . 3.2 m -98.93 -12.15 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 117.525 2.417 . . . . 0.0 117.525 158.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.6 p -65.61 -33.94 77.07 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 119.633 -1.917 . . . . 0.0 109.731 168.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -46.34 -45.81 17.85 Favored 'General case' 0 CA--C 1.575 1.927 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 155.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.57 HD12 HG12 ' B' ' 16' ' ' VAL . 71.3 mt -82.52 -59.7 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.069 0 O-C-N 119.566 -1.958 . . . . 0.0 111.269 -172.024 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.482 ' CG ' HD13 ' A' ' 23' ' ' LEU . 6.3 m-30 -79.14 11.97 2.53 Favored 'General case' 0 CA--C 1.595 2.696 0 C-N-CA 124.144 0.978 . . . . 0.0 111.964 -173.099 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 40.9 pttt -96.41 -44.28 7.28 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-N 119.777 1.171 . . . . 0.0 114.123 152.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.29 -21.36 48.71 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 127.1 2.16 . . . . 0.0 111.271 -177.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 16.4 mt -63.57 -0.46 0.95 Allowed 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.856 2.062 . . . . 0.0 109.748 169.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.55 41.43 0.81 Allowed Glycine 0 N--CA 1.488 2.164 0 CA-C-O 114.817 -3.213 . . . . 0.0 119.858 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -164.33 119.9 1.52 Allowed 'General case' 0 CA--C 1.568 1.662 0 O-C-N 127.774 2.691 . . . . 0.0 103.752 157.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -45.4 -32.3 2.04 Favored 'General case' 0 N--CA 1.425 -1.716 0 N-CA-C 120.291 3.441 . . . . 0.0 120.291 178.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -66.19 -43.74 85.95 Favored 'General case' 0 CA--C 1.57 1.724 1 O-C-N 115.917 -4.24 . . . . 0.0 111.41 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -52.22 -36.69 52.92 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 126.703 2.001 . . . . 0.0 113.549 168.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 40.8 mm -81.74 -38.32 15.92 Favored 'Isoleucine or valine' 0 C--O 1.251 1.18 0 CA-C-O 126.601 3.096 . . . . 0.0 112.98 -175.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . 0.278 49.2 ttt-85 -67.66 -27.05 66.53 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-N 111.173 -2.739 . . . . 0.0 112.717 172.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 24.0 mt -71.75 -47.81 54.82 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 CA-C-O 113.583 -3.103 . . . . 0.0 110.065 163.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' MET . . . . . 0.49 ' HB2' ' CD1' ' B' ' 91' ' ' LEU . 77.5 mtm -79.49 -35.55 40.01 Favored 'General case' 0 C--N 1.376 1.731 1 CA-C-N 126.143 4.065 . . . . 0.0 116.251 -169.556 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -26.4 -65.02 0.07 Allowed 'General case' 0 C--O 1.189 -2.113 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 139.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.588 HD13 ' N ' ' B' ' 35' ' ' LEU . 0.4 OUTLIER -65.44 -48.6 72.19 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-O 124.19 1.948 . . . . 0.0 113.969 -175.367 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.588 ' N ' HD13 ' B' ' 34' ' ' LEU . 92.0 mt -55.34 -26.9 43.7 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 117.969 -2.957 . . . . 0.0 117.115 177.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 1.9 p -62.54 -38.26 89.33 Favored 'General case' 0 CA--C 1.598 2.814 0 C-N-CA 131.193 3.797 . . . . 0.0 111.73 173.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . 0.295 5.6 m -91.49 -48.27 13.92 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.424 0 C-N-CA 131.346 3.858 . . . . 0.0 119.125 171.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 5.0 t -155.47 97.3 1.86 Allowed 'General case' 0 C--O 1.215 -0.75 0 O-C-N 124.721 1.263 . . . . 0.0 110.694 175.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -44.19 136.6 3.85 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 124.231 1.967 . . . . 0.0 109.117 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.583 ' H ' ' CD2' ' B' ' 35' ' ' LEU . . . -138.99 150.35 45.75 Favored 'General case' 0 CA--C 1.586 2.331 0 O-C-N 119.753 -1.842 . . . . 0.0 108.988 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . 0.279 7.5 t -93.69 164.24 13.23 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 126.797 2.039 . . . . 0.0 113.329 165.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 33.9 t -26.95 -70.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.258 1.505 0 N-CA-C 117.228 2.307 . . . . 0.0 117.228 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.18 -34.2 83.21 Favored Glycine 0 N--CA 1.486 2.001 0 C-N-CA 127.615 2.531 . . . . 0.0 112.405 -175.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -72.46 -48.32 41.87 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 119.398 -2.236 . . . . 0.0 114.508 170.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 68.9 mt -44.5 -56.63 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.372 0 O-C-N 118.465 -2.647 . . . . 0.0 107.436 172.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 63.4 m -56.71 -25.28 53.94 Favored 'General case' 0 N--CA 1.518 2.961 0 CA-C-N 112.828 -1.987 . . . . 0.0 116.28 -171.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -82.59 -62.15 1.69 Allowed 'General case' 0 C--O 1.282 2.809 0 C-N-CA 130.356 3.462 . . . . 0.0 108.321 171.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -68.18 -36.71 80.03 Favored 'General case' 0 N--CA 1.492 1.638 1 O-C-N 115.713 -4.367 . . . . 0.0 112.164 -167.516 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 6.1 mp -103.87 -2.46 26.21 Favored 'General case' 0 CA--C 1.609 3.244 0 C-N-CA 123.583 0.753 . . . . 0.0 109.036 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 29.9 m120 70.03 61.58 0.24 Allowed 'General case' 0 N--CA 1.467 0.392 1 O-C-N 113.606 -5.684 . . . . 0.0 111.765 167.132 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 13.9 mt -132.61 164.04 27.56 Favored 'General case' 0 N--CA 1.537 3.88 0 CA-C-O 114.667 -2.587 . . . . 0.0 115.344 171.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 89.2 p -74.28 148.01 41.83 Favored 'General case' 0 CA--C 1.494 -1.21 0 CA-C-N 121.403 1.91 . . . . 0.0 112.525 174.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -68.66 -38.48 80.45 Favored 'General case' 0 CA--C 1.475 -1.929 0 CA-C-N 120.089 1.313 . . . . 0.0 107.47 -168.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.7 p -80.45 -2.34 45.41 Favored 'General case' 0 N--CA 1.432 -1.325 0 O-C-N 120.026 -1.671 . . . . 0.0 111.231 -176.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -82.88 -24.87 33.0 Favored 'General case' 0 C--O 1.263 1.775 0 O-C-N 117.01 -3.556 . . . . 0.0 114.513 151.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . 0.379 13.3 t -86.62 -25.81 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 N-CA-C 115.308 1.596 . . . . 0.0 115.308 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 25.6 m -69.11 16.22 0.05 Allowed 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 114.168 -3.013 . . . . 0.0 117.668 157.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -132.23 -46.17 0.92 Allowed 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 116.57 -1.681 . . . . 0.0 110.107 173.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -57.12 -48.35 78.87 Favored 'General case' 0 C--O 1.185 -2.334 0 CA-C-O 126.675 3.131 . . . . 0.0 116.195 174.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.53 HD21 ' CG ' ' B' ' 80' ' ' TYR . 9.9 tp -55.38 -54.06 48.36 Favored 'General case' 0 C--O 1.255 1.376 0 CA-C-N 112.355 -2.202 . . . . 0.0 111.055 171.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -63.92 -25.79 68.3 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 128.132 2.573 . . . . 0.0 113.341 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.52 HD13 ' N ' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -77.47 -53.03 8.12 Favored 'General case' 0 CA--C 1.569 1.675 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 173.642 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.52 ' N ' HD13 ' B' ' 62' ' ' LEU . 18.2 mt -64.56 -34.67 78.78 Favored 'General case' 0 CA--C 1.569 1.689 0 O-C-N 119.104 -2.247 . . . . 0.0 110.579 -167.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 50.2 tttt -58.73 -49.92 75.81 Favored 'General case' 0 CA--C 1.579 2.082 1 CA-C-N 108.244 -4.071 . . . . 0.0 110.364 173.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 4.7 m -78.22 6.01 9.06 Favored 'General case' 0 C--N 1.277 -2.552 0 O-C-N 126.421 2.326 . . . . 0.0 114.56 173.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 1.3 m -117.3 11.52 7.3 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 O-C-N 127.013 2.696 . . . . 0.0 113.415 158.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . 0.564 4.6 m80 70.93 13.88 6.96 Favored 'General case' 0 C--O 1.208 -1.131 0 N-CA-C 117.969 2.581 . . . . 0.0 117.969 170.078 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 19.3 mt -85.64 -15.94 40.79 Favored 'General case' 0 CA--C 1.572 1.795 1 CA-C-O 128.506 4.003 . . . . 0.0 113.895 175.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.61 162.35 38.79 Favored 'Isoleucine or valine' 0 C--O 1.284 2.885 1 C-N-CA 131.872 4.069 . . . . 0.0 107.359 -171.464 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.456 ' HD2' ' HA ' ' B' ' 83' ' ' ASP . 8.7 ptmt -139.01 153.79 48.17 Favored 'General case' 0 CA--C 1.57 1.734 0 CA-C-O 124.671 2.176 . . . . 0.0 109.964 162.279 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' ALA . . . . . 0.537 ' HB2' ' CE2' ' B' ' 80' ' ' TYR . . . -98.03 127.71 44.14 Favored 'General case' 0 C--N 1.389 2.304 0 O-C-N 118.423 -2.673 . . . . 0.0 109.55 164.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -123.62 152.34 42.04 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 106.549 -1.649 . . . . 0.0 106.549 169.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -103.0 144.55 31.12 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 125.733 1.896 . . . . 0.0 112.971 -171.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -152.25 111.65 3.91 Favored 'General case' 0 N--CA 1.5 2.036 0 C-N-CA 125.922 1.689 . . . . 0.0 111.464 176.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 57.69 -134.29 52.4 Favored Glycine 0 CA--C 1.484 -1.876 0 CA-C-N 119.909 1.231 . . . . 0.0 114.868 -174.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -68.24 -15.13 63.45 Favored 'General case' 0 CA--C 1.598 2.798 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 96.4 p -130.93 -178.84 4.99 Favored 'General case' 0 C--O 1.268 2.065 0 N-CA-C 116.634 2.087 . . . . 0.0 116.634 -171.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 15.4 mtt -121.24 146.12 47.14 Favored 'General case' 0 C--N 1.364 1.211 0 C-N-CA 125.731 1.612 . . . . 0.0 111.009 178.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.9 mm -99.55 143.32 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.583 0 C-N-CA 128.882 2.873 . . . . 0.0 103.368 174.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' TYR . . . . . 0.537 ' CE2' ' HB2' ' B' ' 71' ' ' ALA . 46.2 m-85 -122.14 130.76 53.52 Favored 'General case' 0 C--O 1.266 1.955 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 14.9 m -143.99 154.75 43.6 Favored 'General case' 0 N--CA 1.499 2.003 0 C-N-CA 126.566 1.946 . . . . 0.0 109.296 -169.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.516 HD13 ' HB2' ' B' ' 88' ' ' ALA . 81.2 mt -62.26 151.86 35.17 Favored 'General case' 0 CA--C 1.574 1.873 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 177.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' ASP . . . . . 0.456 ' HA ' ' HD2' ' B' ' 70' ' ' LYS . 24.1 t0 -70.65 -39.77 73.44 Favored 'General case' 0 C--O 1.276 2.453 1 O-C-N 115.747 -4.346 . . . . 0.0 110.033 -164.28 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . 0.255 3.0 p30 -159.6 172.98 16.8 Favored 'General case' 1 N--CA 1.541 4.1 0 C-N-CA 126.451 1.9 . . . . 0.0 112.142 162.252 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -10.22 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.925 0 N-CA-C 120.882 3.66 . . . . 0.0 120.882 176.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -68.74 -57.47 5.6 Favored 'General case' 0 N--CA 1.414 -2.253 0 O-C-N 120.091 -1.631 . . . . 0.0 108.842 -173.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 1.4 m -79.57 -12.66 13.21 Favored 'Isoleucine or valine' 0 C--O 1.256 1.415 0 O-C-N 119.408 -2.057 . . . . 0.0 109.464 -174.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.516 ' HB2' HD13 ' B' ' 82' ' ' LEU . . . -56.78 -37.76 71.54 Favored 'General case' 0 CA--C 1.573 1.864 0 O-C-N 117.689 -3.132 . . . . 0.0 113.399 160.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 6.9 m -97.27 -31.27 12.5 Favored 'General case' 0 N--CA 1.415 -2.201 0 CA-C-O 113.399 -3.191 . . . . 0.0 108.445 -169.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -47.81 -65.26 0.6 Allowed 'General case' 0 C--O 1.279 2.625 0 O-C-N 125.629 1.83 . . . . 0.0 110.586 155.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.49 ' CD1' ' HB2' ' B' ' 32' ' ' MET . 7.0 tt -62.94 -48.41 79.02 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-O 114.88 -2.486 . . . . 0.0 109.116 -171.024 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -45.56 -41.57 10.05 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-N 123.377 2.808 . . . . 0.0 110.742 173.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -89.7 -19.77 24.41 Favored 'General case' 0 CA--C 1.578 2.021 0 CA-C-N 112.871 -1.968 . . . . 0.0 114.28 -174.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.26 -41.52 80.99 Favored 'General case' 0 C--O 1.203 -1.356 0 O-C-N 119.031 -2.293 . . . . 0.0 109.989 164.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mm -57.6 -47.94 84.3 Favored 'Isoleucine or valine' 0 CA--C 1.605 3.059 0 N-CA-C 102.851 -3.018 . . . . 0.0 102.851 167.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -68.64 -30.02 68.64 Favored 'General case' 0 C--O 1.267 1.988 0 CA-C-O 116.194 -1.86 . . . . 0.0 114.317 -166.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -77.49 -5.96 51.83 Favored 'General case' 0 C--O 1.284 2.911 0 CA-C-O 124.033 1.873 . . . . 0.0 114.157 175.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . 0.252 . . -109.57 -5.73 15.61 Favored 'General case' 0 C--O 1.199 -1.568 0 C-N-CA 126.682 1.993 . . . . 0.0 115.452 167.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -130.34 75.68 1.67 Allowed 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 127.816 2.446 . . . . 0.0 108.257 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -89.03 151.11 46.53 Favored Pre-proline 0 C--N 1.316 -0.874 0 C-N-CA 117.032 -1.867 . . . . 0.0 109.43 -172.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -70.24 -20.66 32.29 Favored 'Trans proline' 0 N--CA 1.5 1.857 0 C-N-CA 122.418 2.079 . . . . 0.0 113.435 -177.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -147.23 157.54 43.63 Favored 'General case' 0 N--CA 1.515 2.818 0 C-N-CA 130.253 3.421 . . . . 0.0 110.572 174.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 . . . . . 0 N--CA 1.475 0.798 0 C-N-CA 127.443 2.297 . . . . 0.0 112.978 -170.996 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 17.7 m120 . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 117.364 -1.303 . . . . 0.0 107.73 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.9 p -143.15 -36.14 0.38 Allowed 'General case' 0 C--O 1.207 -1.166 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 174.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 53.62 -52.03 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.376 1 C-N-CA 132.134 4.174 . . . . 0.0 117.465 174.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 58.3 p -125.78 -35.02 2.55 Favored 'General case' 0 C--O 1.189 -2.126 1 C-N-CA 132.385 4.274 . . . . 0.0 113.317 -175.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -57.4 -29.53 64.18 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 126.458 1.903 . . . . 0.0 114.369 -160.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -79.91 6.62 10.71 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 127.59 2.356 . . . . 0.0 112.213 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -124.32 -3.12 7.98 Favored 'General case' 0 N--CA 1.423 -1.809 0 C-N-CA 126.122 1.769 . . . . 0.0 112.079 160.228 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.605 HG12 ' CZ ' ' A' ' 20' ' ' PHE . 3.0 t -90.85 -38.53 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 CA-C-O 116.285 -1.817 . . . . 0.0 110.563 172.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.2 p -43.39 -39.63 3.3 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-N 123.066 2.666 . . . . 0.0 108.746 161.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -69.66 -22.77 63.42 Favored 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 130.094 3.358 . . . . 0.0 111.587 -169.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.38 2.2 pp -100.39 8.87 8.4 Favored 'Isoleucine or valine' 0 C--N 1.369 1.423 0 N-CA-C 116.622 2.082 . . . . 0.0 116.622 165.329 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.605 ' CZ ' HG12 ' A' ' 16' ' ' VAL . 13.5 m-85 -101.73 -35.17 9.17 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 119.085 2.995 . . . . 0.0 119.085 165.031 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -68.05 48.58 0.05 Allowed 'General case' 0 N--CA 1.49 1.529 1 C-N-CA 132.719 4.408 . . . . 0.0 112.02 152.332 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -155.55 -30.64 0.1 Allowed 'General case' 0 C--O 1.177 -2.758 1 O-C-N 131.266 5.354 . . . . 0.0 112.497 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.4 mt -86.38 -109.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 130.634 3.574 . . . . 0.0 109.839 -172.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.81 -32.53 0.01 OUTLIER Glycine 0 C--N 1.387 3.411 1 C-N-CA 131.034 4.159 . . . . 0.0 122.016 171.13 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -108.29 -174.47 2.53 Favored 'General case' 0 C--N 1.4 2.765 0 C-N-CA 124.236 1.014 . . . . 0.0 113.233 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -107.63 -65.88 1.07 Allowed 'General case' 0 N--CA 1.426 -1.667 0 C-N-CA 127.927 2.491 . . . . 0.0 112.475 -156.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -70.77 -39.17 73.39 Favored 'General case' 0 C--O 1.17 -3.085 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -169.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -25.07 -37.59 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.964 1 C-N-CA 131.944 4.098 . . . . 0.0 118.199 167.326 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.323 1.5 pt -123.43 -14.68 5.81 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.103 1 C-N-CA 132.814 4.446 . . . . 0.0 112.745 -175.532 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -60.25 -26.01 66.12 Favored 'General case' 0 N--CA 1.494 1.743 1 CA-C-O 111.354 -4.165 . . . . 0.0 108.346 153.262 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.5 mt -75.5 -48.58 30.11 Favored 'Isoleucine or valine' 0 C--N 1.348 0.527 0 N-CA-C 118.202 2.667 . . . . 0.0 118.202 163.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.478 ' HB3' HD13 ' A' ' 91' ' ' LEU 0.275 25.7 mtp -67.26 -40.06 86.18 Favored 'General case' 0 CA--C 1.599 2.848 0 O-C-N 119.793 -1.817 . . . . 0.0 115.201 179.614 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -28.55 -47.6 0.05 Allowed 'General case' 0 CA--C 1.487 -1.443 0 O-C-N 117.141 -3.475 . . . . 0.0 118.683 149.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -81.76 -30.09 32.55 Favored 'General case' 0 C--O 1.198 -1.612 0 C-N-CA 125.187 1.395 . . . . 0.0 113.744 177.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.475 HD22 ' H ' ' A' ' 40' ' ' ALA . 49.8 mt -72.87 -6.59 46.06 Favored 'General case' 0 C--O 1.176 -2.813 0 CA-C-O 123.648 1.69 . . . . 0.0 109.154 177.459 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.314 5.7 m -80.47 -15.23 57.24 Favored 'General case' 0 C--N 1.271 -2.844 0 C-N-CA 131.386 3.874 . . . . 0.0 114.586 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.6 m -138.95 -43.74 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.25 1.087 0 C-N-CA 129.169 2.988 . . . . 0.0 115.349 -167.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.2 m -155.6 78.45 1.0 Allowed 'General case' 0 C--O 1.198 -1.644 0 C-N-CA 126.891 2.076 . . . . 0.0 112.44 -179.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -67.39 146.15 54.33 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 120.315 3.45 . . . . 0.0 120.315 -166.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.475 ' H ' HD22 ' A' ' 35' ' ' LEU . . . -146.38 172.63 13.21 Favored 'General case' 0 N--CA 1.423 -1.824 0 N-CA-C 118.503 2.779 . . . . 0.0 118.503 -170.207 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.4 t -100.8 155.63 17.81 Favored 'General case' 0 C--O 1.21 -0.994 0 C-N-CA 128.665 2.786 . . . . 0.0 108.854 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.0 t -28.61 -56.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.261 1.665 0 C-N-CA 131.003 3.721 . . . . 0.0 115.146 172.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.22 -40.47 61.17 Favored Glycine 0 N--CA 1.429 -1.785 0 O-C-N 117.912 -2.992 . . . . 0.0 113.705 -176.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -70.92 -41.27 71.42 Favored 'General case' 0 N--CA 1.515 2.792 0 O-C-N 119.145 -2.386 . . . . 0.0 112.927 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.6 mt -50.19 -65.27 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.513 2.678 0 C-N-CA 128.563 2.745 . . . . 0.0 105.374 169.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.8 m -55.02 -13.46 1.14 Allowed 'General case' 0 N--CA 1.502 2.172 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 -171.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -92.68 -55.95 3.19 Favored 'General case' 0 N--CA 1.514 2.726 0 CA-C-O 125.541 2.591 . . . . 0.0 114.669 161.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -64.56 -41.73 96.12 Favored 'General case' 0 N--CA 1.399 -2.986 1 O-C-N 115.693 -4.379 . . . . 0.0 111.811 -171.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mp -96.31 3.86 52.7 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-N 114.369 -1.287 . . . . 0.0 109.729 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 m120 44.34 62.04 2.16 Favored 'General case' 0 C--O 1.265 1.882 0 N-CA-C 116.542 2.053 . . . . 0.0 116.542 -174.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.398 35.9 mt -95.35 -143.0 0.26 Allowed 'General case' 0 C--N 1.384 2.084 0 N-CA-C 117.981 2.586 . . . . 0.0 117.981 173.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 98.3 p -135.78 153.51 51.51 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 118.68 -2.513 . . . . 0.0 110.967 157.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -52.48 -48.53 65.86 Favored 'General case' 0 C--O 1.193 -1.872 0 CA-C-N 118.69 0.677 . . . . 0.0 109.806 171.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.84 -35.43 32.43 Favored 'General case' 0 C--N 1.369 1.448 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 174.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -74.43 -47.89 30.92 Favored 'General case' 0 C--O 1.269 2.088 0 C-N-CA 115.857 -2.337 . . . . 0.0 115.937 170.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.3 t -89.25 -26.92 5.35 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.227 0 N-CA-C 114.501 1.296 . . . . 0.0 114.501 -166.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.0 m -69.24 11.19 0.24 Allowed 'General case' 0 N--CA 1.501 2.105 0 CA-C-O 124.837 2.256 . . . . 0.0 112.314 161.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -124.36 -42.79 2.09 Favored 'General case' 0 CA--C 1.553 1.068 1 O-C-N 116.282 -4.011 . . . . 0.0 110.063 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -92.54 -38.45 11.92 Favored 'General case' 0 N--CA 1.53 3.546 0 N-CA-C 115.697 1.739 . . . . 0.0 115.697 -174.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 tp -56.13 -42.14 76.45 Favored 'General case' 0 C--O 1.197 -1.679 0 CA-C-O 116.047 -1.93 . . . . 0.0 110.549 160.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . 0.306 72.7 tttt -65.14 -40.97 95.14 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 124.922 1.389 . . . . 0.0 114.47 176.063 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.27 -63.33 1.34 Allowed 'General case' 0 C--O 1.192 -1.921 0 N-CA-C 103.887 -2.635 . . . . 0.0 103.887 175.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.417 ' HA ' HG22 ' A' ' 66' ' ' VAL . 33.7 mt -58.2 -33.99 69.88 Favored 'General case' 0 CA--C 1.572 1.82 0 CA-C-O 124.527 2.108 . . . . 0.0 113.229 -169.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -65.71 -45.65 81.95 Favored 'General case' 0 N--CA 1.509 2.493 0 CA-C-N 109.552 -3.477 . . . . 0.0 111.943 176.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.2 m -62.37 -11.47 15.73 Favored 'General case' 0 C--O 1.255 1.381 0 C-N-CA 125.983 1.713 . . . . 0.0 113.159 168.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 63' ' ' LEU 0.258 27.0 m -117.73 16.74 7.26 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.415 0 CA-C-N 120.198 1.363 . . . . 0.0 109.208 175.011 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.302 9.8 p80 47.48 25.23 0.59 Allowed 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 118.329 2.715 . . . . 0.0 118.329 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.402 ' HB3' ' HE1' ' A' ' 32' ' ' MET . 9.3 mp -82.39 -27.25 32.19 Favored 'General case' 0 C--N 1.371 1.526 0 CA-C-O 115.412 -2.233 . . . . 0.0 105.937 160.449 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.0 t -111.32 161.85 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.254 0 O-C-N 128.1 3.375 . . . . 0.0 110.858 174.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -148.06 140.55 24.45 Favored 'General case' 0 C--O 1.266 1.943 1 O-C-N 129.226 4.079 . . . . 0.0 109.152 178.072 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.719 ' HB2' ' CE2' ' A' ' 80' ' ' TYR . . . -106.3 162.97 13.21 Favored 'General case' 0 C--N 1.286 -2.18 0 C-N-CA 127.983 2.513 . . . . 0.0 114.174 172.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -140.23 149.47 42.92 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 131.468 3.907 . . . . 0.0 105.293 168.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -80.17 131.41 35.71 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 126.818 2.047 . . . . 0.0 116.278 163.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -126.19 108.49 11.36 Favored 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 119.025 -1.07 . . . . 0.0 110.092 150.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 59.75 -139.37 48.51 Favored Glycine 0 CA--C 1.569 3.442 0 O-C-N 120.808 -1.182 . . . . 0.0 116.045 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -57.98 12.4 0.01 OUTLIER 'General case' 0 CA--C 1.625 3.834 0 N-CA-C 116.245 1.943 . . . . 0.0 116.245 174.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.0 m -151.04 154.93 37.97 Favored 'General case' 0 N--CA 1.503 2.219 0 CA-C-N 123.162 2.71 . . . . 0.0 108.133 -163.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 26.3 mmt -107.04 139.26 41.72 Favored 'General case' 0 N--CA 1.382 -3.84 0 O-C-N 119.872 -1.767 . . . . 0.0 106.933 175.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 48.5 mm -122.87 115.16 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.222 0 CA-C-O 114.745 -2.55 . . . . 0.0 105.822 -171.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.719 ' CE2' ' HB2' ' A' ' 71' ' ' ALA . 77.1 m-85 -110.1 146.37 35.53 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 123.17 2.714 . . . . 0.0 111.145 -158.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.4 m -142.42 165.18 28.11 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 128.224 2.61 . . . . 0.0 113.619 -159.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.67 150.38 12.61 Favored 'General case' 0 N--CA 1.443 -0.777 0 O-C-N 119.789 -1.819 . . . . 0.0 112.821 150.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -73.15 -46.0 53.43 Favored 'General case' 0 CA--C 1.567 1.631 0 C-N-CA 118.76 -1.176 . . . . 0.0 113.464 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -160.48 179.47 8.59 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 130.922 3.689 . . . . 0.0 114.207 176.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.5 tp -64.83 -22.99 32.48 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.199 0 O-C-N 120.318 -1.489 . . . . 0.0 112.999 -170.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -73.35 -47.31 43.37 Favored 'General case' 0 N--CA 1.509 2.487 0 O-C-N 124.418 1.074 . . . . 0.0 108.821 -173.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.84 -38.2 36.31 Favored 'Isoleucine or valine' 0 C--O 1.247 0.953 0 CA-C-N 114.446 -1.252 . . . . 0.0 113.717 171.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.77 1.08 3.56 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 117.72 -3.113 . . . . 0.0 112.987 172.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.1 m -100.92 -41.23 6.9 Favored 'General case' 0 C--O 1.194 -1.844 0 CA-C-N 122.095 2.225 . . . . 0.0 108.934 165.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 29.6 ttp -65.28 -38.5 90.46 Favored 'General case' 0 C--O 1.294 3.41 0 C-N-CA 125.428 1.491 . . . . 0.0 111.008 -167.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.478 HD13 ' HB3' ' A' ' 32' ' ' MET . 7.5 tt -74.15 -47.91 32.8 Favored 'General case' 0 N--CA 1.519 3.016 0 O-C-N 117.238 -3.414 . . . . 0.0 107.687 172.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -51.09 -52.18 46.13 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 117.758 -1.577 . . . . 0.0 111.767 175.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.489 ' HB2' ' HB2' ' B' ' 90' ' ' MET . 31.9 mm-40 -82.86 -3.52 56.95 Favored 'General case' 0 C--O 1.181 -2.513 0 C-N-CA 123.49 0.716 . . . . 0.0 111.598 -168.052 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -81.17 -47.73 13.05 Favored 'General case' 0 C--N 1.366 1.311 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 153.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.608 HD11 HD22 ' B' ' 13' ' ' LEU . 0.5 OUTLIER -59.26 -18.91 15.04 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.341 0 CA-C-O 126.159 2.885 . . . . 0.0 112.189 178.464 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -31.68 28.91 Favored 'General case' 0 N--CA 1.514 2.765 0 C-N-CA 127.595 2.358 . . . . 0.0 115.579 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -82.65 -7.5 59.64 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 117.355 2.354 . . . . 0.0 117.355 168.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.31 -51.6 68.84 Favored 'General case' 0 C--O 1.197 -1.685 0 CA-C-O 115.495 -2.193 . . . . 0.0 110.796 -173.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -128.51 156.29 43.5 Favored 'General case' 0 CA--C 1.565 1.552 0 N-CA-C 118.332 2.715 . . . . 0.0 118.332 163.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -125.7 72.36 68.24 Favored Pre-proline 0 CA--C 1.601 2.906 0 CA-C-N 112.916 -1.947 . . . . 0.0 114.712 165.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -82.57 175.21 9.06 Favored 'Trans proline' 0 N--CA 1.509 2.431 0 N-CA-C 108.743 -1.291 . . . . 0.0 108.743 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -66.43 113.48 4.71 Favored 'General case' 0 C--N 1.369 1.421 0 O-C-N 119.653 -1.904 . . . . 0.0 114.073 164.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . 0.417 16.5 pt-20 . . . . . 0 CA--C 1.479 -1.76 0 C-N-CA 127.781 2.432 . . . . 0.0 116.218 -166.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 . . . . . 0 N--CA 1.517 2.921 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.445 ' C ' ' H ' ' B' ' 12' ' ' THR . 12.3 p -137.89 -15.36 1.35 Allowed 'General case' 0 C--O 1.258 1.539 0 N-CA-C 117.533 2.42 . . . . 0.0 117.533 -170.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 54.67 -24.85 0.01 OUTLIER 'General case' 0 CA--C 1.585 2.305 0 CA-C-O 115.766 -2.064 . . . . 0.0 114.827 -164.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.445 ' H ' ' C ' ' B' ' 10' ' ' THR . 40.8 p -122.03 -67.95 0.93 Allowed 'General case' 0 N--CA 1.424 -1.767 0 N-CA-C 105.063 -2.199 . . . . 0.0 105.063 -161.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.608 HD22 HD11 ' A' ' 95' ' ' ILE . 0.3 OUTLIER -54.96 -55.08 34.68 Favored 'General case' 1 C--O 1.134 -4.994 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -175.017 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -70.21 9.52 0.57 Allowed 'General case' 0 N--CA 1.515 2.808 0 O-C-N 124.778 1.299 . . . . 0.0 113.343 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -132.27 -11.49 3.23 Favored 'General case' 0 C--N 1.36 1.043 0 CA-C-O 114.787 -2.53 . . . . 0.0 111.853 175.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.441 HG11 HD12 ' A' ' 95' ' ' ILE 0.28 2.2 m -81.39 -14.49 12.53 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.664 0 N-CA-C 118.008 2.596 . . . . 0.0 118.008 149.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . 0.262 18.9 p -54.74 -43.36 72.6 Favored 'General case' 0 N--CA 1.516 2.848 0 N-CA-C 104.587 -2.375 . . . . 0.0 104.587 177.418 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -48.54 -37.88 18.95 Favored 'General case' 0 C--O 1.208 -1.115 0 C-N-CA 126.716 2.006 . . . . 0.0 115.391 168.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.438 HG23 HD21 ' B' ' 68' ' ' LEU . 19.3 mt -93.31 -44.19 13.71 Favored 'Isoleucine or valine' 0 C--O 1.267 2.009 0 CA-C-N 121.239 1.836 . . . . 0.0 108.88 -168.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . 0.256 1.5 m-30 -80.68 0.75 33.0 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 126.227 2.204 . . . . 0.0 108.779 -162.146 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -108.33 -27.43 9.99 Favored 'General case' 0 C--N 1.289 -2.049 0 N-CA-C 116.508 2.04 . . . . 0.0 116.508 155.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . 0.307 . . -69.03 -18.92 64.09 Favored 'General case' 0 N--CA 1.534 3.76 1 O-C-N 116.243 -4.036 . . . . 0.0 114.24 172.51 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' B' ' 19' ' ' ILE . 34.7 mt -58.25 -17.63 20.66 Favored 'General case' 0 N--CA 1.512 2.626 0 C-N-CA 126.277 1.831 . . . . 0.0 115.592 162.291 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.95 25.48 0.09 OUTLIER Glycine 0 N--CA 1.505 3.296 0 C-N-CA 129.852 3.596 . . . . 0.0 117.093 -166.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -145.13 123.99 12.68 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 123.454 3.627 . . . . 0.0 113.706 165.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -44.29 -38.39 3.84 Favored 'General case' 0 N--CA 1.513 2.724 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 171.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -56.65 -47.19 80.31 Favored 'General case' 0 N--CA 1.412 -2.365 0 CA-C-N 121.288 1.858 . . . . 0.0 111.53 171.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -66.15 -15.41 63.1 Favored 'General case' 0 N--CA 1.521 3.076 0 O-C-N 125.651 1.844 . . . . 0.0 109.149 -172.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 20.8 mm -107.28 -42.82 6.4 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.991 0 O-C-N 120.755 -1.216 . . . . 0.0 111.511 -169.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 62.7 ttt-85 -62.31 -23.28 66.65 Favored 'General case' 0 CA--C 1.586 2.35 0 CA-C-N 113.929 -1.487 . . . . 0.0 113.249 168.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.415 ' HA ' HD21 ' B' ' 49' ' ' LEU . 52.1 mt -68.69 -72.03 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.259 1.584 0 O-C-N 127.965 3.291 . . . . 0.0 110.299 162.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' MET . . . . . 0.42 ' HB3' HD13 ' B' ' 91' ' ' LEU . 45.4 mtm -65.22 -34.64 78.86 Favored 'General case' 0 C--O 1.192 -1.965 0 CA-C-N 122.253 2.297 . . . . 0.0 113.213 -169.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -33.54 -56.56 0.44 Allowed 'General case' 0 CA--C 1.602 2.954 0 CA-C-N 122.568 2.44 . . . . 0.0 114.818 153.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.516 ' C ' HD13 ' B' ' 34' ' ' LEU . 0.3 OUTLIER -67.39 -44.14 79.62 Favored 'General case' 0 CA--C 1.574 1.89 0 CA-C-O 123.27 1.51 . . . . 0.0 109.545 -177.451 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.504 ' CD2' ' H ' ' B' ' 40' ' ' ALA . 87.2 mt -66.51 -18.69 65.5 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 127.483 3.516 . . . . 0.0 116.679 -175.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' SER . . . . . 0.412 ' OG ' ' HE3' ' B' ' 92' ' ' LYS . 2.1 p -70.15 -18.75 63.23 Favored 'General case' 0 C--O 1.265 1.913 0 CA-C-N 109.288 -3.597 . . . . 0.0 114.103 169.091 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 12.3 m -119.49 -32.13 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.572 1.811 0 CA-C-N 121.495 1.952 . . . . 0.0 112.831 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -158.49 127.4 5.53 Favored 'General case' 0 CA--C 1.469 -2.15 0 CA-C-O 125.269 2.462 . . . . 0.0 113.451 154.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -61.99 152.81 31.29 Favored 'General case' 0 CA--C 1.583 2.241 0 O-C-N 116.904 -3.622 . . . . 0.0 112.632 -170.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.504 ' H ' ' CD2' ' B' ' 35' ' ' LEU . . . -160.68 166.05 29.47 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 122.688 2.495 . . . . 0.0 115.458 160.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 38.7 t -92.13 157.88 16.49 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 117.622 2.452 . . . . 0.0 117.622 175.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.541 ' HA ' HG11 ' B' ' 56' ' ' VAL . 59.4 t -24.74 -56.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.506 2.35 0 N-CA-C 117.682 2.475 . . . . 0.0 117.682 175.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.64 -52.89 42.41 Favored Glycine 0 C--O 1.186 -2.892 0 CA-C-O 117.661 -1.633 . . . . 0.0 110.731 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -77.56 -38.88 47.59 Favored 'General case' 0 N--CA 1.421 -1.89 0 N-CA-C 116.528 2.048 . . . . 0.0 116.528 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.652 HG23 HD13 ' B' ' 49' ' ' LEU . 66.5 mt -47.01 -49.9 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 CA-C-O 122.219 1.009 . . . . 0.0 108.651 170.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -47.11 -38.68 11.85 Favored 'General case' 0 C--O 1.278 2.596 0 CA-C-O 125.739 2.685 . . . . 0.0 115.017 173.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -79.89 -54.36 5.89 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 119.638 -1.914 . . . . 0.0 108.078 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -61.8 -21.38 64.54 Favored 'General case' 0 N--CA 1.504 2.239 0 C-N-CA 129.139 2.976 . . . . 0.0 116.925 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.652 HD13 HG23 ' B' ' 45' ' ' ILE . 7.9 mp -121.05 -0.03 10.1 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 120.879 1.672 . . . . 0.0 113.106 176.449 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . 0.258 13.0 m120 59.49 55.89 3.94 Favored 'General case' 0 CA--C 1.585 2.301 0 C-N-CA 126.763 2.025 . . . . 0.0 113.978 -171.084 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 65.4 mt -126.42 176.19 7.32 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.779 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 25.8 p -110.6 146.57 35.89 Favored 'General case' 0 C--O 1.254 1.324 0 O-C-N 120.709 -1.244 . . . . 0.0 112.769 -177.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -58.73 -32.89 69.63 Favored 'General case' 0 N--CA 1.423 -1.807 1 O-C-N 115.755 -4.34 . . . . 0.0 114.033 -174.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 89.9 p -63.34 -36.98 85.5 Favored 'General case' 0 N--CA 1.521 3.107 0 N-CA-C 120.283 3.438 . . . . 0.0 120.283 160.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -83.22 -31.23 27.14 Favored 'General case' 0 N--CA 1.528 3.452 0 O-C-N 120.686 -1.259 . . . . 0.0 112.248 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.541 HG11 ' HA ' ' B' ' 42' ' ' VAL . 95.7 t -74.23 -35.61 40.92 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.572 0 CA-C-O 116.79 -1.576 . . . . 0.0 111.197 170.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 68.0 m -58.16 -1.85 0.15 Allowed 'General case' 0 C--N 1.396 2.593 0 CA-C-N 124.793 3.451 . . . . 0.0 113.21 169.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -112.22 -39.24 4.5 Favored 'General case' 0 C--O 1.264 1.826 0 C-N-CA 126.703 2.001 . . . . 0.0 110.678 175.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -79.14 -50.1 11.55 Favored 'General case' 0 C--O 1.244 0.773 0 O-C-N 120.196 -1.565 . . . . 0.0 107.65 -171.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.53 HD13 HD13 ' B' ' 45' ' ' ILE . 5.7 tp -59.69 -45.27 92.62 Favored 'General case' 0 C--N 1.281 -2.379 0 CA-C-O 115.792 -2.051 . . . . 0.0 110.859 169.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -41.47 85.14 Favored 'General case' 0 C--O 1.204 -1.315 0 CA-C-N 121.612 2.005 . . . . 0.0 109.055 -176.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.611 HD13 ' C ' ' B' ' 62' ' ' LEU . 0.8 OUTLIER -60.02 -53.0 62.99 Favored 'General case' 0 C--N 1.282 -2.349 0 CA-C-N 122.044 2.202 . . . . 0.0 111.579 175.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 34.6 mt -58.41 -42.84 88.12 Favored 'General case' 0 N--CA 1.508 2.452 0 CA-C-O 124.983 2.325 . . . . 0.0 107.759 -177.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -56.24 -44.14 79.34 Favored 'General case' 0 CA--C 1.56 1.343 0 CA-C-N 112.965 -1.925 . . . . 0.0 109.99 175.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.6 m -69.85 -27.53 64.92 Favored 'General case' 0 C--O 1.268 2.041 0 CA-C-N 111.827 -2.442 . . . . 0.0 115.964 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 27.5 m -102.59 16.74 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.07 0 O-C-N 121.789 -0.57 . . . . 0.0 111.765 175.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . 0.331 6.2 m80 60.6 14.68 5.11 Favored 'General case' 0 C--O 1.199 -1.577 1 N-CA-C 123.568 4.655 . . . . 0.0 123.568 171.723 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.438 HD21 HG23 ' B' ' 19' ' ' ILE . 3.6 mt -77.95 -30.81 50.6 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-O 124.158 1.933 . . . . 0.0 110.171 171.079 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 t -108.59 155.91 9.37 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.473 0 C-N-CA 127.581 2.352 . . . . 0.0 111.097 173.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -129.68 135.75 48.88 Favored 'General case' 0 N--CA 1.527 3.397 0 C-N-CA 128.456 2.702 . . . . 0.0 109.33 172.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.86 135.0 35.07 Favored 'General case' 0 C--O 1.179 -2.639 0 CA-C-O 122.903 1.335 . . . . 0.0 108.792 149.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -127.58 147.8 50.35 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-O 122.987 1.375 . . . . 0.0 108.664 169.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' B' ' 73' ' ' ARG . 53.4 mtt-85 -98.58 127.38 44.49 Favored 'General case' 0 N--CA 1.518 2.969 1 O-C-N 116.007 -4.183 . . . . 0.0 107.892 -167.826 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -163.35 133.9 4.53 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 128.559 2.744 . . . . 0.0 106.651 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.32 -143.84 45.02 Favored Glycine 0 C--O 1.295 3.929 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 172.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . 0.272 23.9 mp0 -95.3 -19.53 19.91 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 118.52 -2.753 . . . . 0.0 115.003 -173.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 86.0 p -112.78 -179.91 3.79 Favored 'General case' 0 C--N 1.312 -1.061 2 O-C-N 115.828 -4.295 . . . . 0.0 111.94 174.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 41.2 mtt -109.03 126.54 53.24 Favored 'General case' 0 N--CA 1.41 -2.44 0 N-CA-C 106.549 -1.648 . . . . 0.0 106.549 175.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 28.3 mm -77.86 145.62 9.62 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.515 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.564 173.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -120.26 137.29 54.31 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 126.993 3.283 . . . . 0.0 108.611 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -138.86 167.89 21.02 Favored 'General case' 0 CA--C 1.569 1.703 0 C-N-CA 127.003 2.121 . . . . 0.0 111.128 -174.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.539 HD13 ' HB2' ' B' ' 88' ' ' ALA . 1.2 mp -64.26 148.24 50.63 Favored 'General case' 0 N--CA 1.429 -1.497 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 163.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -52.99 -53.4 50.52 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 116.058 1.873 . . . . 0.0 116.058 166.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 28.4 p30 -154.63 -179.7 8.23 Favored 'General case' 0 C--N 1.365 1.266 0 CA-C-O 125.893 2.758 . . . . 0.0 115.825 156.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.9 pp -54.89 -22.19 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 CA-C-O 113.822 -2.99 . . . . 0.0 114.504 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 57.9 m170 -50.96 -64.91 0.66 Allowed 'General case' 0 C--O 1.274 2.389 0 CA-C-N 123.237 2.744 . . . . 0.0 109.526 178.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.414 HG23 HD23 ' B' ' 82' ' ' LEU . 4.3 m -77.45 -16.39 14.35 Favored 'Isoleucine or valine' 0 C--N 1.405 2.985 0 C-N-CA 128.764 2.825 . . . . 0.0 109.421 -176.059 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.539 ' HB2' HD13 ' B' ' 82' ' ' LEU . . . -74.29 -29.52 61.68 Favored 'General case' 0 CA--C 1.591 2.535 1 CA-C-N 126.481 4.218 . . . . 0.0 111.164 162.642 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 31.1 m -79.66 -42.71 24.22 Favored 'General case' 0 N--CA 1.501 2.1 0 C-N-CA 126.842 2.057 . . . . 0.0 107.95 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' MET . . . . . 0.489 ' HB2' ' HB2' ' A' ' 93' ' ' GLN 0.412 3.2 tmm? -56.8 -51.79 67.58 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-O 115.657 -2.116 . . . . 0.0 114.855 163.277 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.42 HD13 ' HB3' ' B' ' 32' ' ' MET . 7.4 tt -62.7 -39.86 95.35 Favored 'General case' 0 CA--C 1.468 -2.193 0 N-CA-C 117.635 2.457 . . . . 0.0 117.635 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.412 ' HE3' ' OG ' ' B' ' 36' ' ' SER . 52.8 mttt -59.95 -44.25 94.5 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 117.574 -1.203 . . . . 0.0 111.848 177.025 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -71.71 -20.89 61.85 Favored 'General case' 0 N--CA 1.502 2.136 0 N-CA-C 118.281 2.697 . . . . 0.0 118.281 173.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' B' ' 91' ' ' LEU . . . -62.94 -50.77 69.52 Favored 'General case' 0 CA--C 1.57 1.729 1 C-N-CA 134.767 5.227 . . . . 0.0 109.866 162.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.411 HD13 HG11 ' A' ' 16' ' ' VAL . 4.0 mm -66.4 -36.3 77.0 Favored 'Isoleucine or valine' 0 N--CA 1.53 3.55 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 174.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -65.4 -38.76 90.93 Favored 'General case' 0 CA--C 1.575 1.919 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -176.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -71.25 -11.61 61.01 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 119.728 -0.789 . . . . 0.0 112.621 177.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -102.26 -29.85 11.44 Favored 'General case' 0 N--CA 1.51 2.571 0 C-N-CA 128.065 2.546 . . . . 0.0 108.728 -175.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -110.52 74.76 0.89 Allowed 'General case' 0 C--N 1.355 0.83 0 C-N-CA 130.928 3.691 . . . . 0.0 112.691 177.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -82.1 130.61 59.43 Favored Pre-proline 0 CA--C 1.579 2.066 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . 0.282 25.7 Cg_exo -59.37 -25.24 77.77 Favored 'Trans proline' 0 N--CA 1.493 1.472 1 C-N-CA 129.002 6.468 . . . . 0.0 109.759 -176.028 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -131.84 152.33 51.08 Favored 'General case' 0 CA--C 1.58 2.129 0 C-N-CA 127.782 2.433 . . . . 0.0 108.259 168.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 . . . . . 0 N--CA 1.534 3.756 0 C-N-CA 128.169 2.588 . . . . 0.0 111.114 169.021 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 62.6 p . . . . . 0 CA--C 1.482 -1.658 0 CA-C-O 111.826 -3.94 . . . . 0.0 115.459 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 56.7 -40.16 0.03 OUTLIER 'General case' 0 C--O 1.265 1.882 0 C-N-CA 130.377 3.471 . . . . 0.0 118.668 -175.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 p -150.04 -18.25 0.25 Allowed 'General case' 0 C--O 1.245 0.838 0 C-N-CA 126.144 1.778 . . . . 0.0 113.236 -171.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . 0.273 1.0 OUTLIER -61.51 -35.79 78.69 Favored 'General case' 0 CA--C 1.583 2.243 0 CA-C-O 125.72 2.676 . . . . 0.0 116.48 -163.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -82.5 -18.71 40.63 Favored 'General case' 0 N--CA 1.512 2.655 0 CA-C-N 109.199 -3.637 . . . . 0.0 108.531 -176.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -74.44 -9.7 58.85 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-O 114.874 -2.489 . . . . 0.0 111.583 161.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.469 HG22 ' CB ' ' B' ' 98' ' ' ALA . 48.5 t -94.06 -33.22 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.314 0 CA-C-N 121.376 1.898 . . . . 0.0 113.334 173.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.47 ' HA ' ' CD2' ' A' ' 20' ' ' PHE . 66.9 p -57.32 -28.98 63.56 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 118.888 -2.383 . . . . 0.0 111.578 158.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -68.39 -11.66 59.96 Favored 'General case' 0 N--CA 1.407 -2.624 0 CA-C-N 122.189 2.268 . . . . 0.0 114.374 173.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.391 0.0 OUTLIER -102.06 -4.36 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.916 0 CA-C-N 120.869 1.668 . . . . 0.0 114.092 161.771 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.47 ' CD2' ' HA ' ' A' ' 17' ' ' THR . 17.4 m-85 -85.68 -36.19 20.41 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 170.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -71.95 60.81 0.4 Allowed 'General case' 0 C--N 1.284 -2.267 0 C-N-CA 131.336 3.855 . . . . 0.0 108.57 160.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -168.69 -14.03 0.02 OUTLIER 'General case' 0 CA--C 1.583 2.224 1 CA-C-N 107.563 -4.38 . . . . 0.0 108.89 174.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 20' ' ' PHE . 66.2 mt -104.96 -131.83 0.3 Allowed 'General case' 0 C--O 1.265 1.917 1 C-N-CA 132.105 4.162 . . . . 0.0 110.041 -172.814 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.26 -0.44 53.88 Favored Glycine 1 N--CA 1.539 5.554 0 N-CA-C 119.868 2.707 . . . . 0.0 119.868 164.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -144.92 161.45 39.29 Favored 'General case' 0 C--O 1.174 -2.877 0 C-N-CA 125.379 1.471 . . . . 0.0 107.7 -173.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -81.83 -75.73 0.28 Allowed 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 117.698 -1.144 . . . . 0.0 113.764 -170.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -65.9 -39.09 90.28 Favored 'General case' 0 CA--C 1.578 2.04 0 CA-C-O 114.477 -2.678 . . . . 0.0 110.365 -170.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -22.6 -41.26 0.0 OUTLIER 'General case' 0 CA--C 1.562 1.437 0 C-N-CA 127.671 2.388 . . . . 0.0 115.173 164.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.6 pt -114.58 -11.01 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.248 0 C-N-CA 125.39 1.476 . . . . 0.0 112.925 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.8 ttp85 -71.87 -29.62 64.57 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 127.497 2.319 . . . . 0.0 112.771 163.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.3 mt -58.41 -52.89 53.75 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.095 0 C-N-CA 129.501 3.12 . . . . 0.0 108.289 164.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.567 ' HG2' HD12 ' A' ' 35' ' ' LEU . 70.5 mtm -79.54 -41.06 28.12 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 114.445 -1.252 . . . . 0.0 113.16 -165.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -22.2 -64.82 0.03 OUTLIER 'General case' 0 N--CA 1.532 3.667 0 CA-C-N 120.943 1.701 . . . . 0.0 115.361 144.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.3 -49.65 68.7 Favored 'General case' 0 CA--C 1.607 3.167 0 CA-C-N 118.074 0.397 . . . . 0.0 111.983 177.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.567 HD12 ' HG2' ' A' ' 32' ' ' MET . 24.1 mt -50.73 -26.1 5.16 Favored 'General case' 0 C--O 1.188 -2.164 0 O-C-N 117.303 -3.373 . . . . 0.0 109.876 171.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.3 1.4 m -71.84 -0.79 12.1 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 117.717 2.488 . . . . 0.0 117.717 172.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.0 m -130.56 -39.07 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.377 1.798 0 C-N-CA 126.741 2.016 . . . . 0.0 114.644 161.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.02 147.54 47.99 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 116.145 -1.884 . . . . 0.0 109.818 175.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -88.83 125.0 34.71 Favored 'General case' 0 N--CA 1.496 1.829 1 C-N-CA 133.944 4.897 . . . . 0.0 115.023 -178.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -141.37 154.12 45.46 Favored 'General case' 0 CA--C 1.573 1.84 0 C-N-CA 116.534 -2.066 . . . . 0.0 110.49 -175.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.0 t -115.58 159.71 20.93 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 115.089 -2.386 . . . . 0.0 117.115 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.5 t -8.73 -64.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 C-N-CA 128.713 2.805 . . . . 0.0 117.018 173.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.6 -45.75 74.46 Favored Glycine 0 C--N 1.381 3.034 0 C-N-CA 117.56 -2.257 . . . . 0.0 113.909 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -74.41 -31.4 62.31 Favored 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 117.112 2.264 . . . . 0.0 117.112 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.0 mt -57.71 -56.21 16.88 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.615 0 CA-C-N 121.897 2.135 . . . . 0.0 107.138 166.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.2 m -51.79 -27.29 11.8 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 125.18 1.392 . . . . 0.0 113.492 174.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -82.19 -59.3 2.6 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 118.735 -2.478 . . . . 0.0 111.223 167.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -68.34 -34.83 76.8 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 127.069 2.148 . . . . 0.0 112.302 -170.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 mp -100.36 5.03 44.34 Favored 'General case' 0 CA--C 1.582 2.189 0 CA-C-N 124.901 3.5 . . . . 0.0 112.987 176.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.1 m120 48.49 62.42 2.56 Favored 'General case' 0 CA--C 1.58 2.119 0 C-N-CA 129.207 3.003 . . . . 0.0 111.945 -170.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.6 mt -108.85 -152.46 0.49 Allowed 'General case' 0 N--CA 1.502 2.135 0 C-N-CA 126.18 1.792 . . . . 0.0 110.926 -172.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.4 p -146.58 154.15 41.17 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.644 -1.285 . . . . 0.0 112.833 174.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -81.96 -34.92 29.53 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-N 120.796 1.635 . . . . 0.0 114.642 -163.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 p -48.85 -50.99 32.11 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 119.977 -1.702 . . . . 0.0 115.406 160.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -63.8 -50.65 68.16 Favored 'General case' 0 C--O 1.175 -2.846 0 N-CA-C 119.732 3.234 . . . . 0.0 119.732 172.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.6 t -65.86 -36.91 78.65 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.973 0 O-C-N 119.192 -2.193 . . . . 0.0 112.107 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.7 m -60.57 6.88 0.03 OUTLIER 'General case' 0 N--CA 1.515 2.816 0 CA-C-O 114.411 -2.709 . . . . 0.0 112.754 165.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -122.98 -34.94 3.09 Favored 'General case' 0 C--O 1.285 2.958 0 CA-C-N 122.265 2.302 . . . . 0.0 107.893 168.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -86.32 -45.13 11.52 Favored 'General case' 0 CA--C 1.566 1.578 0 CA-C-O 115.426 -2.226 . . . . 0.0 114.373 -175.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.5 tp -54.22 -38.11 65.34 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.331 1.453 . . . . 0.0 113.847 166.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -70.44 -52.02 25.16 Favored 'General case' 0 C--O 1.171 -3.053 0 CA-C-O 113.559 -3.115 . . . . 0.0 110.804 171.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.424 HD13 ' C ' ' A' ' 62' ' ' LEU . 1.7 tm? -49.96 -54.76 17.84 Favored 'General case' 0 N--CA 1.509 2.488 1 CA-C-N 126.213 4.097 . . . . 0.0 111.188 172.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . 0.267 21.2 mt -65.81 -36.83 84.62 Favored 'General case' 0 N--CA 1.422 -1.825 0 C-N-CA 123.007 0.523 . . . . 0.0 111.724 -170.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -54.52 -54.53 39.94 Favored 'General case' 0 N--CA 1.51 2.527 0 O-C-N 128.909 3.881 . . . . 0.0 112.335 168.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.3 4.96 7.76 Favored 'General case' 0 N--CA 1.504 2.245 0 N-CA-C 118.724 2.861 . . . . 0.0 118.724 173.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.5 m -124.27 18.14 4.63 Favored 'Isoleucine or valine' 0 C--O 1.262 1.723 0 O-C-N 126.734 2.521 . . . . 0.0 115.079 166.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.353 4.0 p80 58.3 25.92 13.33 Favored 'General case' 0 C--N 1.357 0.916 0 CA-C-O 112.683 -3.532 . . . . 0.0 113.436 171.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.0 mp -89.0 -12.98 39.9 Favored 'General case' 0 N--CA 1.418 -2.069 0 CA-C-N 124.362 3.256 . . . . 0.0 112.384 160.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 t -125.65 150.41 30.95 Favored 'Isoleucine or valine' 0 C--O 1.179 -2.638 0 CA-C-N 113.668 -1.605 . . . . 0.0 110.267 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -140.1 128.34 22.49 Favored 'General case' 0 CA--C 1.606 3.124 0 C-N-CA 130.803 3.641 . . . . 0.0 110.187 169.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.06 163.77 23.92 Favored 'General case' 0 CA--C 1.566 1.579 0 CA-C-O 124.694 2.188 . . . . 0.0 108.296 175.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -143.69 125.06 14.69 Favored 'General case' 0 N--CA 1.482 1.153 1 O-C-N 115.115 -4.741 . . . . 0.0 113.192 162.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 . . . . . 0 CA--C 1.474 -1.958 0 C-N-CA 126.684 1.994 . . . . 0.0 108.272 -172.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 14.4 mtt . . . . . 0 CA--C 1.563 1.47 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.5 mm -71.85 149.41 9.35 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.267 0 C-N-CA 126.536 1.934 . . . . 0.0 107.608 160.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -134.52 159.71 40.3 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 172.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.2 m -148.19 166.15 28.76 Favored 'General case' 0 C--O 1.267 2.01 0 C-N-CA 127.755 2.422 . . . . 0.0 109.802 -163.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.32 161.12 0.99 Allowed 'General case' 0 C--N 1.38 1.916 0 CA-C-N 120.957 1.708 . . . . 0.0 111.682 151.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -75.41 -48.1 24.42 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 114.53 1.308 . . . . 0.0 114.53 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.402 ' OD1' ' HB2' ' A' ' 86' ' ' HIS . 13.6 p30 -150.43 -175.99 5.31 Favored 'General case' 0 CA--C 1.582 2.186 0 CA-C-O 124.791 2.234 . . . . 0.0 111.707 164.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.2 tp -71.38 -14.0 17.39 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.476 0 C-N-CA 128.031 2.532 . . . . 0.0 108.449 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.402 ' HB2' ' OD1' ' A' ' 84' ' ' ASP . 23.5 m170 -65.11 -58.5 5.89 Favored 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 125.204 1.402 . . . . 0.0 112.165 169.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.449 HG12 ' H ' ' A' ' 87' ' ' VAL 0.277 0.5 OUTLIER -65.83 -40.68 88.33 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.21 0 C-N-CA 126.755 2.022 . . . . 0.0 113.49 176.736 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.48 -29.7 17.32 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 162.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . 0.281 36.6 m -84.89 -34.43 22.58 Favored 'General case' 0 CA--C 1.604 3.044 0 O-C-N 119.157 -2.214 . . . . 0.0 116.395 175.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.1 ttt -53.3 -63.99 0.97 Allowed 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 126.463 2.352 . . . . 0.0 111.943 167.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.486 ' CD1' ' HB2' ' A' ' 32' ' ' MET 0.265 4.1 tt -68.05 -37.1 80.93 Favored 'General case' 0 CA--C 1.575 1.916 0 CA-C-O 115.304 -2.284 . . . . 0.0 110.523 -171.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -73.07 -33.44 65.65 Favored 'General case' 0 N--CA 1.529 3.494 0 CA-C-N 123.428 2.831 . . . . 0.0 109.0 177.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -73.6 -17.24 61.2 Favored 'General case' 0 C--O 1.188 -2.147 0 CA-C-N 122.524 2.42 . . . . 0.0 115.764 172.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.407 ' C ' ' H ' ' A' ' 96' ' ' HIS . . . -79.09 -45.66 19.62 Favored 'General case' 0 CA--C 1.569 1.711 0 CA-C-O 123.695 1.712 . . . . 0.0 108.743 177.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.548 HD11 HD22 ' B' ' 13' ' ' LEU . 0.4 OUTLIER -67.37 11.75 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 C-N-CA 130.044 3.338 . . . . 0.0 108.785 172.373 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.407 ' H ' ' C ' ' A' ' 94' ' ' ALA . 2.2 m-70 -120.1 -27.35 5.33 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 116.455 -3.903 . . . . 0.0 114.594 169.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -92.95 -11.86 32.25 Favored 'General case' 0 CA--C 1.496 -1.123 0 O-C-N 119.492 -2.005 . . . . 0.0 111.535 174.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.52 ' HB2' ' CG1' ' B' ' 16' ' ' VAL . . . -61.16 -44.03 97.96 Favored 'General case' 0 CA--C 1.607 3.159 0 CA-C-N 120.026 1.284 . . . . 0.0 111.525 173.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 41.3 p-10 -136.04 155.53 50.08 Favored 'General case' 0 C--O 1.191 -2.013 0 O-C-N 117.667 -3.146 . . . . 0.0 107.727 170.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -132.81 69.69 79.17 Favored Pre-proline 0 C--O 1.19 -2.049 0 C-N-CA 126.357 1.863 . . . . 0.0 113.47 -175.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo . . . . . 0 C--N 1.362 1.273 0 O-C-N 117.945 -1.66 . . . . 0.0 115.805 -170.83 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 30.8 p . . . . . 0 N--CA 1.531 3.603 0 N-CA-C 118.776 2.88 . . . . 0.0 118.776 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 63.77 -53.79 0.23 Allowed 'General case' 0 C--N 1.289 -2.025 1 C-N-CA 133.153 4.581 . . . . 0.0 114.42 -176.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.2 p -95.58 -71.72 0.66 Allowed 'General case' 0 CA--C 1.563 1.477 0 C-N-CA 128.663 2.785 . . . . 0.0 107.293 -155.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.548 HD22 HD11 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -32.87 -56.67 0.38 Allowed 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 128.896 2.878 . . . . 0.0 112.716 168.472 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -69.61 0.89 4.72 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 126.183 1.793 . . . . 0.0 113.725 -173.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.505 ' HB2' ' HB1' ' A' ' 98' ' ' ALA . 2.3 mmp_? -124.48 -21.57 4.86 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 128.709 2.804 . . . . 0.0 112.613 173.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.52 ' CG1' ' HB2' ' A' ' 98' ' ' ALA . 17.0 m -95.08 -14.0 8.11 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.467 0 CA-C-N 123.499 2.863 . . . . 0.0 115.031 173.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.3 p -43.79 -45.92 7.49 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 122.495 2.407 . . . . 0.0 112.554 165.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -52.23 -39.45 60.31 Favored 'General case' 0 C--N 1.287 -2.142 0 CA-C-O 115.644 -2.122 . . . . 0.0 112.285 169.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 20.8 mt -72.45 -49.02 44.8 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.667 0 CA-C-O 115.97 -1.967 . . . . 0.0 110.186 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -88.81 -4.89 58.38 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 120.807 1.639 . . . . 0.0 112.064 -153.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 pttm -88.43 -39.7 14.06 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 153.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.22 -15.26 22.9 Favored 'General case' 0 N--CA 1.529 3.525 0 O-C-N 118.667 -2.52 . . . . 0.0 115.012 175.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 54.5 mt -65.59 -24.66 67.13 Favored 'General case' 0 C--N 1.383 2.046 0 CA-C-O 123.534 1.635 . . . . 0.0 111.699 177.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.27 43.63 0.1 OUTLIER Glycine 0 N--CA 1.502 3.058 1 N-CA-C 123.956 4.342 . . . . 0.0 123.956 -161.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -155.04 138.07 15.53 Favored 'General case' 0 C--N 1.359 1.019 1 CA-C-O 129.442 4.449 . . . . 0.0 107.094 167.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -69.84 -26.28 64.14 Favored 'General case' 0 N--CA 1.411 -2.4 0 O-C-N 118.365 -2.709 . . . . 0.0 105.837 -166.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -72.54 -51.02 21.69 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 127.658 2.383 . . . . 0.0 107.73 -173.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -46.56 -51.59 15.24 Favored 'General case' 0 CA--C 1.496 -1.121 0 C-N-CA 128.38 2.672 . . . . 0.0 112.076 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 mm -88.11 -31.45 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 CA-C-N 113.121 -1.854 . . . . 0.0 108.909 -165.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 46.1 ttt-85 -58.31 -26.97 63.66 Favored 'General case' 0 C--N 1.399 2.749 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.694 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.442 ' O ' ' HG ' ' B' ' 35' ' ' LEU . 5.9 mt -72.83 -38.18 56.65 Favored 'Isoleucine or valine' 0 C--O 1.288 3.101 0 O-C-N 126.527 2.392 . . . . 0.0 111.942 174.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . 0.427 ' HB2' HD11 ' B' ' 91' ' ' LEU . 62.9 mtm -84.96 -42.1 15.25 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 118.773 2.879 . . . . 0.0 118.773 -178.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 0.428 ' H ' ' CD2' ' B' ' 91' ' ' LEU . 1.5 tm-20 -5.01 -70.88 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.73 0 N-CA-C 116.683 2.105 . . . . 0.0 116.683 130.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.434 HD13 ' N ' ' B' ' 35' ' ' LEU . 0.2 OUTLIER -72.78 -53.36 11.77 Favored 'General case' 0 N--CA 1.429 -1.516 0 O-C-N 118.313 -2.742 . . . . 0.0 110.259 -175.104 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' B' ' 31' ' ' ILE . 85.1 mt -47.07 -38.56 11.44 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 116.968 -3.582 . . . . 0.0 113.764 177.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . 0.415 ' HB3' HD11 ' B' ' 82' ' ' LEU . 3.4 p -63.1 -17.19 62.03 Favored 'General case' 0 C--N 1.276 -2.625 0 C-N-CA 130.679 3.592 . . . . 0.0 114.787 176.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 23.6 m -114.86 -30.63 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 N-CA-C 116.915 2.191 . . . . 0.0 116.915 165.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 49.8 m -159.71 131.36 6.17 Favored 'General case' 0 N--CA 1.392 -3.325 0 C-N-CA 127.887 2.475 . . . . 0.0 112.734 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . 0.269 15.5 mt-10 -84.37 140.82 31.31 Favored 'General case' 0 N--CA 1.514 2.767 0 O-C-N 118.155 -2.841 . . . . 0.0 111.767 -171.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -139.8 154.52 47.39 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-N 110.422 -3.081 . . . . 0.0 111.575 168.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . 0.294 21.9 t -90.77 159.25 16.41 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 116.187 -1.864 . . . . 0.0 111.747 170.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 52.7 t -19.12 -58.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.363 1.194 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 168.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.79 -38.31 76.31 Favored Glycine 0 CA--C 1.553 2.426 0 C-N-CA 117.653 -2.213 . . . . 0.0 117.101 -176.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -72.46 -35.72 68.31 Favored 'General case' 0 C--O 1.162 -3.518 0 O-C-N 118.213 -2.934 . . . . 0.0 112.84 174.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.71 -45.43 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.685 0 C-N-CA 130.004 3.322 . . . . 0.0 103.47 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 65.5 m -59.1 -40.68 86.06 Favored 'General case' 0 N--CA 1.499 1.988 0 CA-C-O 118.047 -0.978 . . . . 0.0 111.358 175.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -70.85 -58.41 3.64 Favored 'General case' 0 N--CA 1.504 2.236 0 N-CA-C 115.841 1.793 . . . . 0.0 115.841 172.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -48.91 -41.28 33.16 Favored 'General case' 0 C--N 1.257 -3.421 0 C-N-CA 126.643 1.977 . . . . 0.0 112.101 173.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.434 HD21 ' HA ' ' B' ' 31' ' ' ILE . 6.1 mp -117.71 7.54 12.55 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.636 -1.29 . . . . 0.0 111.042 -166.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . 0.251 33.9 m120 66.71 30.12 8.3 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 125.749 1.62 . . . . 0.0 114.25 174.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 18.4 mt -106.66 157.82 17.42 Favored 'General case' 0 N--CA 1.531 3.622 0 CA-C-N 121.343 1.883 . . . . 0.0 106.709 -172.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -73.58 144.19 46.11 Favored 'General case' 0 CA--C 1.577 1.995 0 C-N-CA 124.903 1.281 . . . . 0.0 108.797 175.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -67.29 -28.5 68.06 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.577 -0.702 . . . . 0.0 111.469 172.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 74.1 m -67.2 -46.06 75.01 Favored 'General case' 0 N--CA 1.508 2.428 0 CA-C-O 124.399 2.047 . . . . 0.0 110.088 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -64.84 -55.6 18.52 Favored 'General case' 0 CA--C 1.496 -1.106 0 C-N-CA 127.252 2.221 . . . . 0.0 110.478 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 58.7 t -64.04 -35.83 74.85 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 CA-C-N 121.675 2.034 . . . . 0.0 108.131 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.1 m -51.37 -5.18 0.03 OUTLIER 'General case' 0 C--O 1.261 1.702 0 CA-C-N 123.419 2.827 . . . . 0.0 115.656 167.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -128.55 -33.43 2.09 Favored 'General case' 1 CA--C 1.669 5.556 0 C-N-CA 126.64 1.976 . . . . 0.0 113.277 174.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -66.98 -40.08 87.33 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 121.257 1.844 . . . . 0.0 113.857 168.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.0 tp -66.25 -38.07 87.01 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.409 -0.807 . . . . 0.0 110.119 177.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -72.5 -34.41 67.61 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 126.179 2.895 . . . . 0.0 115.355 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.539 ' C ' HD13 ' B' ' 62' ' ' LEU 0.266 1.5 tm? -63.16 -48.73 77.19 Favored 'General case' 0 CA--C 1.599 2.836 0 O-C-N 118.724 -2.485 . . . . 0.0 111.403 167.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.469 ' N ' HD13 ' B' ' 62' ' ' LEU . 68.2 mt -59.84 -37.66 79.88 Favored 'General case' 0 C--O 1.264 1.834 0 O-C-N 119.209 -2.182 . . . . 0.0 113.113 -178.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -58.02 -55.6 32.78 Favored 'General case' 0 C--O 1.178 -2.669 0 CA-C-N 110.415 -3.084 . . . . 0.0 108.951 171.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.8 m -64.11 -10.03 20.08 Favored 'General case' 0 CA--C 1.583 2.244 0 C-N-CA 126.536 1.935 . . . . 0.0 115.095 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . 0.256 3.6 m -107.8 6.5 9.61 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.656 0 CA-C-O 123.942 1.83 . . . . 0.0 111.2 163.078 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . 0.266 85.2 m-70 64.4 18.0 11.09 Favored 'General case' 0 C--O 1.264 1.839 0 C-N-CA 126.086 1.754 . . . . 0.0 115.183 166.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 4.5 mp -72.36 -24.02 61.21 Favored 'General case' 0 N--CA 1.53 3.527 0 CA-C-O 118.103 -0.951 . . . . 0.0 109.738 158.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 t -116.58 151.98 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.824 0 CA-C-O 123.233 1.492 . . . . 0.0 108.75 -174.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . 0.311 0.1 OUTLIER -137.92 134.56 35.12 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 112.71 -2.041 . . . . 0.0 115.699 165.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.89 148.42 27.7 Favored 'General case' 0 CA--C 1.582 2.203 0 C-N-CA 126.268 1.827 . . . . 0.0 108.857 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 41.0 pttt . . . . . 0 N--CA 1.473 0.724 0 N-CA-C 115.929 1.826 . . . . 0.0 115.929 161.581 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 22.4 ttm . . . . . 0 C--O 1.257 1.456 0 CA-C-O 117.032 -1.461 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 31.9 mm -73.31 148.38 8.89 Favored 'Isoleucine or valine' 1 N--CA 1.539 4.003 0 O-C-N 127.593 3.058 . . . . 0.0 107.388 175.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -122.42 150.87 41.88 Favored 'General case' 0 CA--C 1.465 -2.303 0 O-C-N 117.094 -3.504 . . . . 0.0 112.534 168.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 60.6 p -158.85 -179.81 8.4 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 117.967 -2.958 . . . . 0.0 111.372 -166.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' B' ' 36' ' ' SER . 21.0 mt -85.47 137.66 32.75 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 117.043 -3.536 . . . . 0.0 110.572 173.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -51.85 -56.04 16.38 Favored 'General case' 0 C--O 1.182 -2.499 0 CA-C-O 114.104 -2.855 . . . . 0.0 115.309 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 18.5 p30 -156.87 173.8 16.45 Favored 'General case' 0 CA--C 1.6 2.884 0 C-N-CA 126.842 2.057 . . . . 0.0 111.587 166.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 2.8 pp -58.36 -16.63 7.92 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.038 0 O-C-N 126.526 2.391 . . . . 0.0 114.76 -171.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -56.2 -68.74 0.18 Allowed 'General case' 0 C--O 1.189 -2.086 0 CA-C-O 125.511 2.577 . . . . 0.0 109.81 -177.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . 0.307 0.9 OUTLIER -76.81 -16.06 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 N-CA-C 119.381 3.104 . . . . 0.0 119.381 -177.145 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.01 -35.41 80.13 Favored 'General case' 0 C--N 1.308 -1.209 0 C-N-CA 124.439 1.095 . . . . 0.0 111.953 162.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 10.4 m -81.49 -31.91 32.68 Favored 'General case' 0 CA--C 1.574 1.883 0 C-N-CA 128.472 2.709 . . . . 0.0 111.25 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . 0.417 ' C ' ' SD ' ' B' ' 90' ' ' MET . 13.4 tmm? -61.17 -52.7 63.74 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 118.648 -2.532 . . . . 0.0 109.839 169.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.428 ' CD2' ' H ' ' B' ' 33' ' ' GLU . 6.8 tt -68.89 -40.25 79.32 Favored 'General case' 0 C--N 1.392 2.438 0 C-N-CA 126.64 1.976 . . . . 0.0 110.467 -174.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -52.51 -40.65 62.65 Favored 'General case' 0 N--CA 1.52 3.068 0 O-C-N 120.197 -1.564 . . . . 0.0 113.917 167.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -84.9 -17.78 36.76 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 -170.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.34 -39.56 74.63 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 167.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.417 HD12 HG21 ' A' ' 16' ' ' VAL . 1.3 mp -66.18 -34.26 69.01 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.606 0 C-N-CA 127.668 2.387 . . . . 0.0 108.485 170.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -78.95 -39.34 34.78 Favored 'General case' 0 C--O 1.177 -2.721 0 O-C-N 119.828 -1.795 . . . . 0.0 107.73 -171.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . 0.261 3.7 t60 -62.86 -32.53 73.78 Favored 'General case' 0 N--CA 1.423 -1.803 0 CA-C-O 124.742 2.21 . . . . 0.0 114.334 174.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.469 ' CB ' HG22 ' A' ' 16' ' ' VAL . . . -86.27 -9.73 55.91 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 119.353 3.094 . . . . 0.0 119.353 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -131.19 47.73 2.5 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 29.2 m170 . . . . . 0 CA--C 1.564 1.483 0 CA-C-N 120.456 1.48 . . . . 0.0 112.196 -178.673 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.488 1.441 0 N-CA-C 118.403 2.742 . . . . 0.0 118.403 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 46.11 -38.76 0.0 OUTLIER 'General case' 0 C--N 1.38 1.924 1 C-N-CA 134.893 5.277 . . . . 0.0 114.666 173.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.4 p -151.12 -20.57 0.21 Allowed 'General case' 0 CA--C 1.593 2.599 0 O-C-N 116.73 -3.731 . . . . 0.0 111.999 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -53.01 -26.59 15.99 Favored 'General case' 0 N--CA 1.525 3.278 1 N-CA-C 122.555 4.28 . . . . 0.0 122.555 -170.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.294 22.9 mt-10 -70.21 -28.18 65.08 Favored 'General case' 0 C--O 1.276 2.498 0 O-C-N 117.459 -3.275 . . . . 0.0 116.391 164.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -72.66 -17.51 61.64 Favored 'General case' 0 N--CA 1.413 -2.299 0 CA-C-O 115.055 -2.402 . . . . 0.0 110.835 171.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.45 HG12 ' CE2' ' A' ' 20' ' ' PHE . 61.2 t -90.43 -46.23 14.86 Favored 'Isoleucine or valine' 0 CA--C 1.471 -2.084 0 C-N-CA 126.779 2.032 . . . . 0.0 113.323 176.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.4 p -56.0 -27.81 54.56 Favored 'General case' 0 N--CA 1.518 2.942 0 CA-C-N 119.492 1.042 . . . . 0.0 111.382 165.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -56.15 -22.51 29.07 Favored 'General case' 0 N--CA 1.506 2.346 1 CA-C-O 111.401 -4.142 . . . . 0.0 114.539 166.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.274 2.6 pp -113.18 26.79 3.23 Favored 'Isoleucine or valine' 0 C--O 1.275 2.429 0 O-C-N 126.38 2.3 . . . . 0.0 113.091 168.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.45 ' CE2' HG12 ' A' ' 16' ' ' VAL 0.307 12.4 m-85 -113.75 -28.66 7.36 Favored 'General case' 0 CA--C 1.585 2.29 0 CA-C-N 123.117 2.689 . . . . 0.0 111.413 167.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -57.17 43.91 0.0 OUTLIER 'General case' 1 CA--C 1.644 4.588 1 C-N-CA 134.792 5.237 . . . . 0.0 110.205 148.909 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -166.17 -8.18 0.02 OUTLIER 'General case' 0 C--O 1.279 2.608 0 C-N-CA 128.734 2.814 . . . . 0.0 107.644 -170.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.7 mt -107.54 -127.76 0.26 Allowed 'General case' 0 C--O 1.262 1.712 0 C-N-CA 128.354 2.662 . . . . 0.0 104.668 -174.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.3 15.52 70.24 Favored Glycine 0 C--N 1.385 3.287 0 CA-C-O 117.898 -1.501 . . . . 0.0 114.68 161.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -149.7 161.86 41.37 Favored 'General case' 0 CA--C 1.585 2.316 0 CA-C-N 121.303 2.551 . . . . 0.0 107.549 -176.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -91.52 -65.74 0.98 Allowed 'General case' 0 C--N 1.353 0.729 0 CA-C-N 125.649 3.841 . . . . 0.0 115.436 -175.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -54.02 -50.91 65.58 Favored 'General case' 0 N--CA 1.413 -2.31 0 CA-C-N 124.644 3.384 . . . . 0.0 109.469 -177.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -12.91 -54.82 0.0 OUTLIER 'General case' 0 C--N 1.394 2.507 0 C-N-CA 131.465 3.906 . . . . 0.0 117.062 160.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.2 pt -98.23 -11.22 8.65 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.856 0 O-C-N 126.97 2.669 . . . . 0.0 114.905 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.495 ' HA ' HD21 ' B' ' 13' ' ' LEU . 24.7 ttp85 -84.75 -19.86 31.98 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-O 126.197 2.903 . . . . 0.0 110.731 176.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.6 mt -72.95 -34.9 47.43 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.288 0 CA-C-N 111.958 -2.383 . . . . 0.0 108.559 167.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.438 ' HB3' ' CD1' ' A' ' 91' ' ' LEU . 55.3 mtm -90.58 -37.98 13.46 Favored 'General case' 0 C--O 1.199 -1.567 0 O-C-N 118.186 -2.821 . . . . 0.0 115.843 -170.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -30.63 -37.21 0.02 OUTLIER 'General case' 0 N--CA 1.536 3.868 0 C-N-CA 131.533 3.933 . . . . 0.0 112.259 138.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.374 0.5 OUTLIER -87.49 -54.25 4.38 Favored 'General case' 0 C--O 1.253 1.259 0 CA-C-O 113.69 -3.052 . . . . 0.0 113.444 -179.116 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.414 ' CD2' ' H ' ' A' ' 40' ' ' ALA 0.29 26.2 mt -52.58 -19.14 2.11 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-N 122.7 2.5 . . . . 0.0 116.05 170.074 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.254 56.3 m -64.73 -24.25 67.51 Favored 'General case' 0 N--CA 1.433 -1.306 0 C-N-CA 127.009 2.124 . . . . 0.0 114.174 173.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.0 m -123.02 -24.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 N-CA-C 116.246 1.943 . . . . 0.0 116.246 171.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.2 m -144.68 111.19 5.65 Favored 'General case' 0 C--O 1.178 -2.67 0 O-C-N 119.695 -1.878 . . . . 0.0 106.583 -178.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -75.39 114.82 14.37 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 114.735 -2.555 . . . . 0.0 112.523 -172.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.414 ' H ' ' CD2' ' A' ' 35' ' ' LEU . . . -136.55 144.32 44.15 Favored 'General case' 0 N--CA 1.432 -1.334 1 CA-C-N 126.801 4.364 . . . . 0.0 112.552 -167.291 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.9 t -96.22 160.51 14.4 Favored 'General case' 0 CA--C 1.58 2.123 1 O-C-N 114.764 -4.96 . . . . 0.0 112.74 -178.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.434 HG13 ' HB ' ' A' ' 56' ' ' VAL 0.252 18.0 t -18.06 -59.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.395 -3.22 0 N-CA-C 121.132 3.753 . . . . 0.0 121.132 171.214 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.47 -52.52 47.32 Favored Glycine 0 CA--C 1.562 3.007 0 CA-C-O 127.08 3.6 . . . . 0.0 114.926 175.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -77.97 -28.62 49.44 Favored 'General case' 0 CA--C 1.577 1.999 0 CA-C-O 115.09 -2.386 . . . . 0.0 112.143 -170.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.61 HG23 HD13 ' A' ' 49' ' ' LEU . 55.9 mt -58.18 -57.3 11.3 Favored 'Isoleucine or valine' 0 C--O 1.262 1.721 0 CA-C-N 120.571 1.532 . . . . 0.0 114.509 159.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.1 m -49.06 -40.49 31.7 Favored 'General case' 0 C--O 1.188 -2.174 0 CA-C-O 124.356 2.027 . . . . 0.0 114.849 172.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -67.01 -55.13 15.73 Favored 'General case' 0 C--N 1.365 1.27 0 O-C-N 117.373 -3.329 . . . . 0.0 114.658 170.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . 0.486 48.9 tt0 -65.47 -28.92 69.56 Favored 'General case' 0 N--CA 1.505 2.287 0 N-CA-C 119.316 3.08 . . . . 0.0 119.316 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.61 HD13 HG23 ' A' ' 45' ' ' ILE . 4.5 mp -119.64 4.77 11.07 Favored 'General case' 0 C--O 1.207 -1.132 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 -174.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.4 m120 58.47 60.09 2.72 Favored 'General case' 0 N--CA 1.423 -1.821 0 O-C-N 117.128 -3.483 . . . . 0.0 112.121 171.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.6 mt -119.45 -132.16 0.31 Allowed 'General case' 0 CA--C 1.6 2.9 0 CA-C-N 111.484 -2.598 . . . . 0.0 110.457 173.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.9 p -158.58 143.46 16.15 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 129.496 3.118 . . . . 0.0 109.783 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -68.12 -43.07 79.22 Favored 'General case' 0 CA--C 1.61 3.282 0 C-N-CA 126.539 1.936 . . . . 0.0 108.699 -171.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.0 p -57.89 -39.22 77.36 Favored 'General case' 1 N--CA 1.555 4.81 0 CA-C-O 122.969 1.366 . . . . 0.0 111.728 177.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -79.7 -45.29 19.24 Favored 'General case' 0 CA--C 1.569 1.709 0 CA-C-N 113.293 -1.776 . . . . 0.0 106.67 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.434 ' HB ' HG13 ' A' ' 42' ' ' VAL . 22.8 t -72.36 -21.49 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 1 O-C-N 115.529 -4.482 . . . . 0.0 117.506 173.025 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.9 m -63.04 6.39 0.11 Allowed 'General case' 0 N--CA 1.437 -1.077 1 O-C-N 112.765 -6.209 . . . . 0.0 115.509 156.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -123.91 -32.21 3.3 Favored 'General case' 0 C--O 1.246 0.884 0 C-N-CA 128.039 2.536 . . . . 0.0 113.73 167.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -87.9 -48.46 7.79 Favored 'General case' 0 N--CA 1.531 3.587 0 N-CA-C 106.144 -1.799 . . . . 0.0 106.144 -170.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.525 HD21 ' CD1' ' A' ' 80' ' ' TYR . 18.5 tp -60.37 -39.35 86.91 Favored 'General case' 0 N--CA 1.42 -1.927 0 O-C-N 125.946 2.029 . . . . 0.0 111.157 173.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -60.59 -46.18 91.2 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 172.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.595 HD13 ' N ' ' A' ' 63' ' ' LEU . 1.5 tm? -60.27 -58.61 7.77 Favored 'General case' 0 CA--C 1.604 3.052 0 O-C-N 118.628 -2.545 . . . . 0.0 110.619 174.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.595 ' N ' HD13 ' A' ' 62' ' ' LEU . 65.4 mt -52.37 -37.12 55.49 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 117.954 -1.499 . . . . 0.0 112.539 -178.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.5 ttpp -51.99 -45.21 64.42 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 125.253 2.454 . . . . 0.0 112.419 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.3 m -72.97 -18.38 61.37 Favored 'General case' 0 N--CA 1.506 2.349 0 C-N-CA 129.985 3.314 . . . . 0.0 119.756 -176.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.314 29.8 m -96.96 2.81 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.258 0 CA-C-N 111.763 -2.471 . . . . 0.0 115.882 169.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.303 11.5 p80 65.37 24.23 12.04 Favored 'General case' 0 C--N 1.372 1.552 0 C-N-CA 130.221 3.408 . . . . 0.0 114.607 172.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.2 mp -81.81 -18.47 43.91 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 124.662 2.172 . . . . 0.0 111.604 168.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 t -128.74 150.52 34.48 Favored 'Isoleucine or valine' 0 C--N 1.376 1.735 0 C-N-CA 128.229 2.612 . . . . 0.0 110.676 -169.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -138.8 135.6 34.79 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 128.85 2.86 . . . . 0.0 116.673 170.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.416 ' HB2' ' CE2' ' A' ' 80' ' ' TYR . . . -84.11 144.2 29.19 Favored 'General case' 0 CA--C 1.582 2.208 0 CA-C-O 125.596 2.617 . . . . 0.0 116.242 165.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.7 tttt -138.85 131.87 29.59 Favored 'General case' 0 N--CA 1.513 2.688 1 O-C-N 115.264 -4.648 . . . . 0.0 110.694 173.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 69.2 ttt-85 . . . . . 0 CA--C 1.572 1.796 0 C-N-CA 125.791 1.636 . . . . 0.0 113.016 -174.637 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.2 mmt . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 106.183 -1.784 . . . . 0.0 106.183 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.4 mm -112.35 152.74 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 C-N-CA 126.235 1.814 . . . . 0.0 109.703 168.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.525 ' CD1' HD21 ' A' ' 60' ' ' LEU . 50.1 m-85 -129.6 146.59 51.39 Favored 'General case' 0 C--O 1.187 -2.232 0 CA-C-O 125.29 2.471 . . . . 0.0 112.786 -176.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.9 m -138.6 168.61 19.42 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 129.161 2.985 . . . . 0.0 109.906 -173.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -65.01 156.05 32.64 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 115.956 -1.973 . . . . 0.0 113.341 161.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -66.38 -48.13 71.15 Favored 'General case' 0 N--CA 1.529 3.502 0 CA-C-N 121.475 1.943 . . . . 0.0 113.276 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -154.45 -177.15 6.26 Favored 'General case' 0 CA--C 1.566 1.568 0 O-C-N 120.493 -1.38 . . . . 0.0 110.621 161.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.462 ' HA ' ' HB3' ' A' ' 88' ' ' ALA 0.276 8.8 tp -62.57 -23.14 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.134 0 C-N-CA 127.093 2.157 . . . . 0.0 113.729 -176.38 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -65.4 -47.34 76.64 Favored 'General case' 0 C--O 1.187 -2.218 0 CA-C-N 122.554 2.434 . . . . 0.0 113.559 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.75 -49.23 52.58 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.06 0 C-N-CA 128.6 2.76 . . . . 0.0 110.324 172.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.462 ' HB3' ' HA ' ' A' ' 85' ' ' ILE . . . -44.39 -49.4 9.67 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 119.566 -1.959 . . . . 0.0 112.19 169.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 59.7 m -69.18 -37.03 77.95 Favored 'General case' 0 N--CA 1.504 2.244 0 CA-C-N 112.907 -1.951 . . . . 0.0 114.123 176.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 36.7 ttp -60.17 -45.84 91.74 Favored 'General case' 0 C--O 1.27 2.169 0 C-N-CA 126.968 2.107 . . . . 0.0 109.396 171.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' A' ' 32' ' ' MET . 5.4 tt -67.81 -56.41 9.29 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 123.544 2.884 . . . . 0.0 105.584 176.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -54.32 -48.0 71.83 Favored 'General case' 0 C--N 1.264 -3.14 0 O-C-N 125.9 2.0 . . . . 0.0 112.659 -169.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -71.11 -11.62 61.05 Favored 'General case' 0 CA--C 1.578 2.047 0 CA-C-O 122.551 1.167 . . . . 0.0 114.061 175.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -85.54 -46.32 10.94 Favored 'General case' 0 C--N 1.379 1.891 0 N-CA-C 106.27 -1.752 . . . . 0.0 106.27 172.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.602 HD12 HG11 ' B' ' 16' ' ' VAL 0.35 1.1 mp -52.34 -7.43 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.507 2.402 0 C-N-CA 129.319 3.048 . . . . 0.0 113.939 165.081 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -109.55 -8.18 15.03 Favored 'General case' 0 CA--C 1.583 2.241 0 C-N-CA 130.131 3.372 . . . . 0.0 116.045 173.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -116.85 4.16 12.92 Favored 'General case' 0 CA--C 1.579 2.077 0 CA-C-N 124.168 3.167 . . . . 0.0 112.647 172.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.56 -30.85 71.25 Favored 'General case' 0 CA--C 1.496 -1.096 0 N-CA-C 117.598 2.444 . . . . 0.0 117.598 166.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . 0.251 14.7 p-10 -146.79 164.45 32.77 Favored 'General case' 0 C--O 1.274 2.383 0 C-N-CA 129.701 3.2 . . . . 0.0 109.546 177.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 70.4 m80 -149.03 57.29 2.84 Favored Pre-proline 0 C--O 1.187 -2.219 0 O-C-N 117.417 -3.302 . . . . 0.0 113.593 -172.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo . . . . . 0 C--N 1.385 2.46 0 C-N-CA 124.23 3.287 . . . . 0.0 117.525 -172.947 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.52 3.042 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 49.98 -19.15 0.0 OUTLIER 'General case' 0 N--CA 1.538 3.96 0 N-CA-C 120.204 3.409 . . . . 0.0 120.204 -168.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 77.8 p -140.79 -66.39 0.43 Allowed 'General case' 0 C--N 1.365 1.253 0 O-C-N 117.354 -3.341 . . . . 0.0 108.718 -162.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.496 HD22 HD11 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -35.1 -66.15 0.19 Allowed 'General case' 0 CA--C 1.573 1.862 0 O-C-N 127.837 3.211 . . . . 0.0 117.857 167.189 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -65.48 20.42 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.669 0 N-CA-C 118.731 2.863 . . . . 0.0 118.731 -177.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -144.49 -15.44 0.56 Allowed 'General case' 0 C--O 1.261 1.688 1 C-N-CA 132.075 4.15 . . . . 0.0 115.639 -177.02 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.602 HG11 HD12 ' A' ' 95' ' ' ILE . 5.1 m -85.65 -20.9 7.9 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.13 0 O-C-N 118.045 -2.909 . . . . 0.0 116.725 158.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.6 p -57.69 -28.16 63.56 Favored 'General case' 0 N--CA 1.435 -1.192 0 O-C-N 119.828 -1.795 . . . . 0.0 112.864 172.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -70.19 -33.32 71.58 Favored 'General case' 0 C--O 1.201 -1.456 0 O-C-N 118.423 -2.673 . . . . 0.0 114.339 169.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.49 HD13 HG21 ' B' ' 19' ' ' ILE . 25.8 mt -71.2 -63.07 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.407 -2.58 0 O-C-N 123.605 0.565 . . . . 0.0 110.215 178.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -23.81 66.03 Favored 'General case' 0 N--CA 1.416 -2.126 0 C-N-CA 131.088 3.755 . . . . 0.0 113.168 -161.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -92.56 -26.39 17.92 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 128.27 3.481 . . . . 0.0 113.288 166.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.58 -10.95 59.76 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 124.585 3.357 . . . . 0.0 113.297 174.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 28.0 mt -63.9 -7.97 9.79 Favored 'General case' 0 C--N 1.382 1.987 0 C-N-CA 127.031 2.133 . . . . 0.0 112.088 173.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.3 29.6 1.42 Allowed Glycine 0 CA--C 1.569 3.44 0 C-N-CA 125.376 1.465 . . . . 0.0 115.982 -164.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -142.57 130.52 21.78 Favored 'General case' 0 N--CA 1.513 2.692 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 162.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.5 ' CD1' ' C ' ' B' ' 26' ' ' TYR . 0.6 OUTLIER -69.74 -15.5 63.15 Favored 'General case' 0 CA--C 1.563 1.474 0 C-N-CA 117.143 -1.823 . . . . 0.0 109.677 -166.073 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -75.45 -43.69 48.24 Favored 'General case' 0 C--N 1.378 1.812 1 O-C-N 115.21 -4.681 . . . . 0.0 114.948 175.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -45.74 -31.53 2.04 Favored 'General case' 0 C--N 1.373 1.588 1 O-C-N 129.74 4.4 . . . . 0.0 111.771 163.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 29.9 mm -94.82 -41.93 12.35 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.981 0 CA-C-O 116.579 -1.677 . . . . 0.0 109.395 -173.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -55.62 -29.08 58.56 Favored 'General case' 1 N--CA 1.55 4.573 0 O-C-N 126.529 2.393 . . . . 0.0 115.68 176.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 13.6 mt -59.82 -67.78 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.169 -3.154 0 O-C-N 128.925 3.891 . . . . 0.0 109.695 173.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . 0.588 ' HB2' HD21 ' B' ' 82' ' ' LEU 0.466 0.0 OUTLIER -80.07 -28.12 39.23 Favored 'General case' 0 CA--C 1.568 1.646 0 CA-C-O 115.866 -2.016 . . . . 0.0 114.93 -170.465 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 0.451 ' HA ' HD22 ' B' ' 91' ' ' LEU . 3.6 tm-20 -35.92 -41.63 0.24 Allowed 'General case' 0 CA--C 1.613 3.399 0 CA-C-N 120.136 1.335 . . . . 0.0 114.413 143.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.501 HD13 ' C ' ' B' ' 34' ' ' LEU 0.302 1.7 tm? -83.92 -43.02 15.69 Favored 'General case' 0 N--CA 1.523 3.175 0 CA-C-N 123.855 3.025 . . . . 0.0 111.94 -178.069 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 17.3 mt -49.17 -27.06 3.23 Favored 'General case' 0 C--N 1.391 2.409 0 N-CA-C 116.231 1.937 . . . . 0.0 116.231 167.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 2.1 p -65.11 -21.49 66.81 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 131.175 3.79 . . . . 0.0 113.231 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 m -122.55 -38.5 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.472 -2.045 0 CA-C-O 116.807 -1.568 . . . . 0.0 112.535 177.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 19.8 m -149.47 145.49 26.93 Favored 'General case' 0 N--CA 1.506 2.363 0 CA-C-O 125.607 2.623 . . . . 0.0 110.5 169.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -83.07 112.75 20.08 Favored 'General case' 0 C--O 1.263 1.768 0 O-C-N 116.81 -3.681 . . . . 0.0 110.39 -167.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . 0.279 . . -118.9 138.29 52.87 Favored 'General case' 0 CA--C 1.582 2.176 0 CA-C-N 121.962 2.164 . . . . 0.0 106.907 -177.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 13.5 t -75.61 145.41 41.14 Favored 'General case' 0 CA--C 1.46 -2.509 0 C-N-CA 129.706 3.203 . . . . 0.0 113.604 159.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 63.2 t -9.22 -46.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.514 2.761 0 N-CA-C 119.456 3.132 . . . . 0.0 119.456 167.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.92 -49.63 7.54 Favored Glycine 0 C--N 1.343 0.921 0 O-C-N 120.826 -1.171 . . . . 0.0 112.276 -178.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.271 30.5 t-80 -73.56 -22.96 59.92 Favored 'General case' 0 C--N 1.364 1.2 0 CA-C-O 117.785 -1.103 . . . . 0.0 113.145 177.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.454 HG23 HD13 ' B' ' 49' ' ' LEU . 65.7 mt -65.72 -52.88 44.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 O-C-N 127.514 3.008 . . . . 0.0 106.088 166.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 49.7 m -56.83 1.65 0.03 OUTLIER 'General case' 0 C--O 1.284 2.872 0 N-CA-C 119.256 3.058 . . . . 0.0 119.256 170.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -113.4 -51.67 2.8 Favored 'General case' 0 C--N 1.38 1.903 0 C-N-CA 127.527 2.331 . . . . 0.0 114.616 172.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . 0.343 80.8 mm-40 -68.63 -27.98 66.5 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 117.955 -2.965 . . . . 0.0 115.202 170.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.454 HD13 HG23 ' B' ' 45' ' ' ILE 0.277 1.0 OUTLIER -96.64 -13.8 22.58 Favored 'General case' 0 C--O 1.184 -2.369 0 C-N-CA 126.595 1.958 . . . . 0.0 116.069 165.556 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 19.0 m120 49.3 50.36 18.18 Favored 'General case' 1 N--CA 1.553 4.683 0 N-CA-C 117.761 2.504 . . . . 0.0 117.761 -166.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 60.7 mt -92.06 168.05 11.65 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 114.34 -2.743 . . . . 0.0 111.915 163.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 33.6 t -84.43 138.4 32.85 Favored 'General case' 0 N--CA 1.433 -1.324 0 CA-C-N 121.106 1.775 . . . . 0.0 114.492 161.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -61.41 -21.46 64.11 Favored 'General case' 0 CA--C 1.555 1.136 0 O-C-N 127.816 3.197 . . . . 0.0 109.441 -176.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 14.9 m -74.76 -31.29 61.74 Favored 'General case' 0 CA--C 1.608 3.205 0 O-C-N 118.515 -2.615 . . . . 0.0 112.358 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -90.5 -34.27 15.63 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 125.649 1.843 . . . . 0.0 112.786 -175.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 50.6 t -68.28 -30.6 48.33 Favored 'Isoleucine or valine' 0 C--O 1.257 1.492 0 CA-C-O 112.855 -3.45 . . . . 0.0 112.031 169.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 14.9 m -63.83 12.31 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 158.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -126.23 -35.34 2.43 Favored 'General case' 0 CA--C 1.59 2.518 0 O-C-N 119.004 -2.31 . . . . 0.0 107.899 173.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -91.64 -43.56 9.55 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-O 115.552 -2.166 . . . . 0.0 111.715 -166.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.425 ' HA ' HD12 ' B' ' 60' ' ' LEU . 8.1 tp -49.94 -47.3 52.54 Favored 'General case' 1 CA--C 1.638 4.345 0 O-C-N 126.507 2.38 . . . . 0.0 113.556 157.797 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -71.88 -36.95 70.22 Favored 'General case' 0 CA--C 1.574 1.886 0 O-C-N 119.778 -1.826 . . . . 0.0 112.758 -176.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.542 HD13 ' N ' ' B' ' 63' ' ' LEU . 1.7 tm? -49.32 -61.68 1.96 Allowed 'General case' 0 CA--C 1.508 -0.645 0 O-C-N 119.029 -2.295 . . . . 0.0 110.632 158.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.542 ' N ' HD13 ' B' ' 62' ' ' LEU . 21.3 mt -66.84 -33.01 74.67 Favored 'General case' 0 N--CA 1.513 2.704 0 CA-C-O 123.673 1.702 . . . . 0.0 110.28 -166.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -51.64 -50.05 61.06 Favored 'General case' 0 C--O 1.26 1.638 0 CA-C-N 114.164 -1.38 . . . . 0.0 110.284 164.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.6 m -82.19 5.13 20.81 Favored 'General case' 0 C--O 1.265 1.905 0 C-N-CA 125.997 1.719 . . . . 0.0 115.192 -173.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 14.8 m -127.95 29.09 1.87 Allowed 'Isoleucine or valine' 0 C--O 1.177 -2.756 0 CA-C-O 116.728 -1.606 . . . . 0.0 110.829 161.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 54.83 11.28 0.45 Allowed 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 129.458 3.103 . . . . 0.0 117.979 162.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.543 ' HB3' ' SD ' ' B' ' 32' ' ' MET 0.3 11.6 mt -74.24 -36.1 63.88 Favored 'General case' 0 C--O 1.271 2.19 0 O-C-N 118.594 -2.566 . . . . 0.0 106.88 163.817 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.1 t -104.4 152.0 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 127.616 2.366 . . . . 0.0 115.136 175.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -127.66 156.48 42.27 Favored 'General case' 0 C--N 1.358 0.937 0 O-C-N 125.479 1.737 . . . . 0.0 112.618 157.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . 0.423 ' HB2' ' CE2' ' B' ' 80' ' ' TYR . . . -91.19 151.24 21.03 Favored 'General case' 0 CA--C 1.565 1.519 0 CA-C-O 114.272 -2.775 . . . . 0.0 112.186 163.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 32.4 pttt . . . . . 0 CA--C 1.588 2.431 0 CA-C-N 123.291 2.769 . . . . 0.0 108.768 166.545 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.422 ' SD ' ' HB1' ' B' ' 71' ' ' ALA . 4.2 ttt . . . . . 0 N--CA 1.404 -2.745 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 9.8 mm -92.78 155.1 3.14 Favored 'Isoleucine or valine' 0 C--N 1.424 3.808 0 C-N-CA 130.76 3.624 . . . . 0.0 110.759 -173.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . 0.423 ' CE2' ' HB2' ' B' ' 71' ' ' ALA . 73.8 m-85 -134.43 141.77 46.91 Favored 'General case' 0 C--O 1.219 -0.505 0 O-C-N 118.972 -2.33 . . . . 0.0 111.151 -175.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 6.1 p -137.27 163.07 31.83 Favored 'General case' 0 C--O 1.253 1.259 0 C-N-CA 129.148 2.979 . . . . 0.0 106.39 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.588 HD21 ' HB2' ' B' ' 32' ' ' MET . 5.0 mt -56.34 129.85 42.17 Favored 'General case' 0 CA--C 1.59 2.49 0 C-N-CA 126.703 2.001 . . . . 0.0 106.759 159.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -49.82 -55.05 15.62 Favored 'General case' 0 CA--C 1.588 2.413 0 O-C-N 119.848 -1.782 . . . . 0.0 114.442 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 27.5 p30 -140.8 -178.85 5.73 Favored 'General case' 0 N--CA 1.512 2.649 0 O-C-N 119.192 -2.192 . . . . 0.0 113.683 161.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.2 pp -61.54 -17.17 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.986 0 C-N-CA 126.717 2.007 . . . . 0.0 111.577 -177.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -66.49 -62.76 1.29 Allowed 'General case' 0 C--O 1.196 -1.743 0 O-C-N 125.91 2.006 . . . . 0.0 107.213 -173.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.462 HG21 ' HA ' ' B' ' 68' ' ' LEU . 1.8 m -74.07 -26.37 20.93 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.405 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.622 -175.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.417 ' CB ' HD13 ' B' ' 82' ' ' LEU . . . -53.35 -47.27 69.53 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.445 -1.409 . . . . 0.0 109.747 170.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 88.3 m -70.21 -31.38 68.79 Favored 'General case' 0 N--CA 1.432 -1.36 0 CA-C-O 127.2 3.381 . . . . 0.0 112.495 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 11.5 tmm? -66.81 -44.5 81.04 Favored 'General case' 0 CA--C 1.6 2.886 0 O-C-N 117.853 -3.029 . . . . 0.0 110.805 176.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.451 HD22 ' HA ' ' B' ' 33' ' ' GLU 0.283 4.5 tt -62.49 -52.47 63.37 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-N 112.699 -2.046 . . . . 0.0 109.358 -178.789 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -54.71 -43.29 72.44 Favored 'General case' 0 CA--C 1.562 1.427 0 C-N-CA 126.768 2.027 . . . . 0.0 111.006 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -76.73 -13.77 60.0 Favored 'General case' 0 N--CA 1.435 -1.2 0 O-C-N 117.395 -3.316 . . . . 0.0 116.159 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.65 -41.59 37.76 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 124.847 1.259 . . . . 0.0 112.166 162.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.29 -35.65 59.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 CA-C-N 123.061 2.664 . . . . 0.0 107.257 168.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.32 -34.62 42.12 Favored 'General case' 0 N--CA 1.504 2.273 0 C-N-CA 128.329 2.652 . . . . 0.0 114.848 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -78.14 -17.6 56.68 Favored 'General case' 0 C--O 1.275 2.418 0 CA-C-N 122.691 2.496 . . . . 0.0 115.015 166.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -80.3 -23.86 40.39 Favored 'General case' 0 N--CA 1.413 -2.295 0 C-N-CA 128.277 2.631 . . . . 0.0 113.631 168.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -134.91 94.56 3.17 Favored 'General case' 0 CA--C 1.567 1.633 1 C-N-CA 131.755 4.022 . . . . 0.0 118.281 173.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 45.2 m170 . . . . . 0 N--CA 1.494 1.759 0 CA-C-N 110.088 -3.233 . . . . 0.0 107.025 176.363 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.6 p . . . . . 0 CA--C 1.567 1.626 0 CA-C-O 117.549 -1.215 . . . . 0.0 110.156 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.297 1.9 m-20 57.81 -38.58 0.05 OUTLIER 'General case' 0 C--N 1.365 1.272 0 N-CA-C 120.828 3.64 . . . . 0.0 120.828 -171.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 p -164.73 -33.36 0.03 OUTLIER 'General case' 0 N--CA 1.524 3.258 0 CA-C-N 111.764 -2.471 . . . . 0.0 111.089 -165.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.96 -39.7 20.11 Favored 'General case' 1 CA--C 1.633 4.149 0 C-N-CA 127.869 2.468 . . . . 0.0 117.062 -165.3 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -90.7 0.96 57.24 Favored 'General case' 0 CA--C 1.565 1.537 0 N-CA-C 116.18 1.918 . . . . 0.0 116.18 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -82.71 -23.59 34.01 Favored 'General case' 0 N--CA 1.516 2.864 0 C-N-CA 124.643 1.177 . . . . 0.0 111.542 150.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.402 HG13 HD11 ' A' ' 19' ' ' ILE . 82.7 t -84.59 -41.17 15.85 Favored 'Isoleucine or valine' 0 C--O 1.254 1.307 0 O-C-N 118.797 -2.439 . . . . 0.0 110.786 -175.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.9 p -53.05 -32.7 48.33 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 166.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -62.5 -17.25 59.27 Favored 'General case' 0 CA--C 1.585 2.312 0 C-N-CA 130.123 3.369 . . . . 0.0 110.222 173.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.402 HD11 HG13 ' A' ' 16' ' ' VAL 0.33 2.8 pp -106.36 6.98 9.93 Favored 'Isoleucine or valine' 0 C--N 1.383 2.028 0 N-CA-C 115.084 1.512 . . . . 0.0 115.084 165.892 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -103.79 -28.63 11.52 Favored 'General case' 0 C--N 1.385 2.119 0 O-C-N 118.913 -2.367 . . . . 0.0 110.137 167.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -61.51 54.21 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.076 3 O-C-N 114.184 -5.322 . . . . 0.0 108.882 144.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.433 ' H ' ' H ' ' A' ' 23' ' ' LEU 0.338 . . -174.62 -8.86 0.01 OUTLIER 'General case' 1 N--CA 1.542 4.135 0 CA-C-N 110.2 -3.182 . . . . 0.0 110.173 173.764 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.433 ' H ' ' H ' ' A' ' 22' ' ' ALA . 68.8 mt -97.04 -115.24 0.13 Allowed 'General case' 0 C--O 1.269 2.098 0 C-N-CA 124.861 1.264 . . . . 0.0 109.532 174.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.07 -5.01 0.01 OUTLIER Glycine 0 C--N 1.371 2.524 1 N-CA-C 124.231 4.452 . . . . 0.0 124.231 177.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -134.57 164.36 27.66 Favored 'General case' 0 CA--C 1.619 3.607 0 O-C-N 126.522 1.954 . . . . 0.0 109.912 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . 0.377 31.2 t80 -81.85 -78.62 0.19 Allowed 'General case' 0 C--N 1.345 0.398 0 C-N-CA 127.326 2.25 . . . . 0.0 114.201 -167.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.461 ' HA ' ' HB3' ' A' ' 30' ' ' ARG . 61.6 m-80 -51.78 -53.59 38.11 Favored 'General case' 0 C--O 1.201 -1.496 0 CA-C-O 114.886 -2.483 . . . . 0.0 113.341 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -28.92 -38.56 0.01 OUTLIER 'General case' 0 N--CA 1.531 3.614 0 N-CA-C 119.437 3.125 . . . . 0.0 119.437 168.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -103.29 -13.9 8.55 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.814 0 N-CA-C 119.451 3.13 . . . . 0.0 119.451 169.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.461 ' HB3' ' HA ' ' A' ' 27' ' ' ASN . 46.0 ttp85 -67.02 -22.13 65.9 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-O 115.946 -1.978 . . . . 0.0 111.976 161.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.3 mp -62.5 -47.03 94.92 Favored 'Isoleucine or valine' 0 C--O 1.174 -2.878 0 O-C-N 125.866 1.979 . . . . 0.0 108.045 162.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.434 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 72.1 mtm -86.2 -44.32 12.28 Favored 'General case' 0 N--CA 1.52 3.036 0 C-N-CA 117.36 -1.736 . . . . 0.0 112.688 -156.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.402 ' HB2' HD21 ' A' ' 91' ' ' LEU . 6.9 tm-20 -28.28 -35.94 0.01 OUTLIER 'General case' 0 C--N 1.379 1.891 0 O-C-N 119.324 -2.11 . . . . 0.0 113.986 148.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.55 -45.24 7.83 Favored 'General case' 0 CA--C 1.574 1.865 0 CA-C-N 125.44 3.745 . . . . 0.0 112.976 176.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.9 mt -52.88 -26.16 13.93 Favored 'General case' 0 N--CA 1.526 3.358 0 O-C-N 118.077 -2.89 . . . . 0.0 112.633 171.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.4 m -55.93 -16.59 4.94 Favored 'General case' 0 C--O 1.194 -1.846 0 CA-C-N 110.171 -3.195 . . . . 0.0 112.562 173.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.0 m -134.97 -23.62 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.711 0 CA-C-N 122.83 2.559 . . . . 0.0 115.879 -177.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.4 m -156.05 128.03 7.47 Favored 'General case' 0 C--O 1.254 1.3 0 C-N-CA 131.529 3.932 . . . . 0.0 114.375 177.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.423 ' HG2' ' HA ' ' A' ' 81' ' ' SER . 17.7 mt-10 -96.65 136.59 36.96 Favored 'General case' 0 CA--C 1.605 3.079 0 O-C-N 119.049 -2.282 . . . . 0.0 110.869 -163.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -139.73 143.84 37.21 Favored 'General case' 0 CA--C 1.481 -1.691 0 CA-C-N 113.24 -1.8 . . . . 0.0 112.726 -172.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -89.09 159.66 17.43 Favored 'General case' 0 N--CA 1.513 2.68 0 CA-C-O 121.349 0.595 . . . . 0.0 112.435 170.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.527 HG13 ' HB ' ' A' ' 56' ' ' VAL . 59.0 t -25.11 -50.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 118.67 2.841 . . . . 0.0 118.67 176.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.16 -35.75 60.59 Favored Glycine 0 CA--C 1.542 1.738 0 O-C-N 119.085 -2.26 . . . . 0.0 112.666 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -79.24 -40.22 31.16 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-N 122.281 3.04 . . . . 0.0 111.332 -177.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.42 HG23 HD13 ' A' ' 49' ' ' LEU . 45.7 mt -50.4 -49.05 24.95 Favored 'Isoleucine or valine' 0 C--N 1.373 1.614 0 O-C-N 118.7 -2.5 . . . . 0.0 109.042 165.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.4 m -65.29 -10.61 33.87 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 119.608 -1.932 . . . . 0.0 115.201 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -91.28 -64.53 1.11 Allowed 'General case' 0 C--N 1.377 1.763 0 N-CA-C 104.371 -2.455 . . . . 0.0 104.371 168.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . 0.266 63.3 tt0 -63.79 -42.69 97.69 Favored 'General case' 0 CA--C 1.615 3.466 0 C-N-CA 130.777 3.631 . . . . 0.0 111.416 -161.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.42 HD13 HG23 ' A' ' 45' ' ' ILE . 5.5 mp -94.24 5.66 51.07 Favored 'General case' 0 N--CA 1.503 2.203 0 C-N-CA 125.334 1.453 . . . . 0.0 113.315 172.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.9 m120 54.57 53.75 10.25 Favored 'General case' 0 C--O 1.298 3.625 0 N-CA-C 115.953 1.834 . . . . 0.0 115.953 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.2 mt -107.41 -139.2 0.37 Allowed 'General case' 0 C--O 1.269 2.099 0 CA-C-O 121.833 0.825 . . . . 0.0 112.814 -174.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 61.4 p -150.01 138.7 20.8 Favored 'General case' 0 N--CA 1.421 -1.904 0 O-C-N 118.208 -2.808 . . . . 0.0 109.462 170.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.48 -30.08 70.33 Favored 'General case' 0 C--N 1.399 2.747 0 O-C-N 119.096 -2.253 . . . . 0.0 112.117 -172.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.5 m -53.6 -33.79 56.15 Favored 'General case' 0 C--N 1.364 1.216 0 O-C-N 125.863 1.977 . . . . 0.0 115.324 165.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -83.35 -31.73 26.63 Favored 'General case' 0 C--O 1.284 2.891 0 CA-C-N 121.128 1.786 . . . . 0.0 109.438 175.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.559 ' C ' ' H ' ' A' ' 58' ' ' HIS . 23.5 t -92.82 -34.85 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 CA-C-N 121.126 1.784 . . . . 0.0 113.11 -167.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.1 m -54.89 12.27 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 156.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.559 ' H ' ' C ' ' A' ' 56' ' ' VAL . 14.7 t60 -139.07 -38.52 0.5 Allowed 'General case' 0 C--O 1.191 -2.012 0 CA-C-O 117.026 -1.464 . . . . 0.0 110.811 -176.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -88.27 -44.99 10.43 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 125.765 1.626 . . . . 0.0 111.067 177.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.413 HD21 ' CG ' ' A' ' 80' ' ' TYR . 12.3 tp -53.69 -39.65 65.32 Favored 'General case' 0 CA--C 1.587 2.393 0 O-C-N 119.23 -2.169 . . . . 0.0 116.032 167.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -70.59 -34.23 71.95 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 123.479 1.609 . . . . 0.0 112.335 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.538 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -64.94 -52.01 58.71 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 119.73 -1.856 . . . . 0.0 108.531 175.119 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.538 ' N ' HD13 ' A' ' 62' ' ' LEU 0.318 15.7 mt -69.23 -30.82 69.05 Favored 'General case' 0 C--O 1.275 2.406 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 -169.262 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -59.59 -54.12 50.17 Favored 'General case' 0 C--N 1.268 -2.948 0 C-N-CA 128.182 2.593 . . . . 0.0 109.806 173.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.5 m -77.97 1.64 20.11 Favored 'General case' 0 C--O 1.276 2.493 0 O-C-N 116.98 -3.575 . . . . 0.0 113.635 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.323 6.0 m -120.06 19.43 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 CA-C-O 125.794 2.712 . . . . 0.0 113.066 168.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.257 10.9 p80 48.69 39.3 13.34 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 121.351 3.834 . . . . 0.0 121.351 173.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.4 mp -97.75 -23.5 15.89 Favored 'General case' 0 C--O 1.252 1.215 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 163.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.3 t -117.36 151.8 19.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 N-CA-C 104.087 -2.56 . . . . 0.0 104.087 -174.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.84 144.08 37.11 Favored 'General case' 0 C--O 1.274 2.364 0 C-N-CA 125.74 1.616 . . . . 0.0 109.304 172.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.609 ' HB2' ' CE2' ' A' ' 80' ' ' TYR . . . -122.86 147.23 46.8 Favored 'General case' 0 C--O 1.271 2.192 1 CA-C-O 128.822 4.153 . . . . 0.0 109.148 -173.481 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -136.57 137.05 39.81 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 117.315 -3.366 . . . . 0.0 107.0 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 70.5 ttt-85 . . . . . 0 CA--C 1.559 1.324 0 O-C-N 120.407 -1.433 . . . . 0.0 108.144 -174.291 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 17.9 mmt . . . . . 0 CA--C 1.474 -1.976 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.8 mm -115.95 139.06 44.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 C-N-CA 130.016 3.326 . . . . 0.0 108.534 -175.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.609 ' CE2' ' HB2' ' A' ' 71' ' ' ALA . 29.8 m-85 -132.79 150.3 52.17 Favored 'General case' 0 CA--C 1.57 1.721 0 CA-C-O 125.319 2.485 . . . . 0.0 109.859 -159.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.423 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 5.1 m -148.3 176.55 10.16 Favored 'General case' 0 N--CA 1.502 2.132 0 CA-C-N 111.754 -2.475 . . . . 0.0 107.385 -169.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -68.29 155.87 38.87 Favored 'General case' 0 CA--C 1.571 1.753 0 O-C-N 117.493 -3.254 . . . . 0.0 107.333 160.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -63.65 -48.59 76.59 Favored 'General case' 0 C--O 1.268 2.038 0 CA-C-N 113.91 -1.495 . . . . 0.0 110.902 -174.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -158.06 179.14 9.45 Favored 'General case' 0 C--O 1.274 2.375 0 CA-C-O 126.17 2.89 . . . . 0.0 105.847 169.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . 0.281 6.9 tp -55.79 -32.17 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 1 C-N-CA 133.164 4.585 . . . . 0.0 112.162 179.692 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -58.44 -52.49 65.43 Favored 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 130.249 3.419 . . . . 0.0 112.232 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.4 p -76.68 -49.17 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 CA-C-N 113.684 -1.598 . . . . 0.0 112.062 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.04 -44.6 31.26 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 116.964 -3.585 . . . . 0.0 109.252 171.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.8 m -64.16 -41.34 97.19 Favored 'General case' 0 N--CA 1.534 3.743 0 O-C-N 116.812 -3.68 . . . . 0.0 114.591 174.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . 0.354 0.2 OUTLIER -53.75 -41.2 66.86 Favored 'General case' 0 CA--C 1.594 2.648 0 C-N-CA 124.463 1.105 . . . . 0.0 113.903 172.351 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.434 ' CD1' ' HB2' ' A' ' 32' ' ' MET 0.32 4.3 tt -82.3 -53.14 6.27 Favored 'General case' 0 N--CA 1.513 2.714 0 CA-C-O 114.94 -2.457 . . . . 0.0 109.808 176.61 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.8 tttp -45.06 -55.72 5.35 Favored 'General case' 0 CA--C 1.573 1.835 0 CA-C-N 123.182 2.719 . . . . 0.0 116.548 173.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -67.91 -13.44 62.16 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 117.783 2.512 . . . . 0.0 117.783 175.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.14 -57.77 4.19 Favored 'General case' 0 CA--C 1.485 -1.548 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 159.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.484 HD12 HG11 ' B' ' 16' ' ' VAL . 1.0 OUTLIER -50.29 -2.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.291 3.246 0 CA-C-O 125.536 2.589 . . . . 0.0 117.524 170.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -117.35 -1.35 11.78 Favored 'General case' 0 N--CA 1.422 -1.834 0 O-C-N 118.503 -2.623 . . . . 0.0 115.768 172.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -110.97 -2.07 16.12 Favored 'General case' 0 N--CA 1.523 3.212 0 C-N-CA 117.722 -1.591 . . . . 0.0 111.677 169.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.548 ' HB1' ' CB ' ' B' ' 15' ' ' ARG . . . -66.95 -46.21 75.42 Favored 'General case' 0 N--CA 1.521 3.105 0 O-C-N 116.316 -3.99 . . . . 0.0 112.08 174.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -123.2 160.39 26.66 Favored 'General case' 0 C--N 1.271 -2.819 0 O-C-N 126.222 2.201 . . . . 0.0 112.751 171.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -142.94 61.3 10.4 Favored Pre-proline 0 N--CA 1.491 1.602 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo . . . . . 0 N--CA 1.53 3.671 0 C-N-CA 121.641 1.561 . . . . 0.0 112.492 173.395 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 14.3 p . . . . . 0 N--CA 1.497 1.876 0 CA-C-O 121.661 0.743 . . . . 0.0 112.753 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 59.33 -37.87 0.07 Allowed 'General case' 0 C--O 1.257 1.452 0 C-N-CA 130.403 3.481 . . . . 0.0 112.662 175.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 78.2 p -114.58 -63.44 1.46 Allowed 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 117.28 2.326 . . . . 0.0 117.28 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -43.45 -52.69 5.9 Favored 'General case' 0 CA--C 1.48 -1.745 0 N-CA-C 121.651 3.945 . . . . 0.0 121.651 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -62.12 -12.02 17.31 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 126.873 3.225 . . . . 0.0 112.163 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.548 ' CB ' ' HB1' ' A' ' 98' ' ' ALA . 4.1 mmp_? -116.06 0.51 13.02 Favored 'General case' 0 N--CA 1.439 -1.016 0 O-C-N 117.81 -3.056 . . . . 0.0 113.81 -175.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.497 HG12 HD12 ' B' ' 19' ' ' ILE . 4.1 m -114.93 -7.43 12.15 Favored 'Isoleucine or valine' 0 C--N 1.398 2.694 0 CA-C-O 111.863 -3.923 . . . . 0.0 114.383 158.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 9.8 p -61.33 -39.62 91.2 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 122.029 2.195 . . . . 0.0 105.517 167.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -58.8 -30.89 67.95 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 117.22 -3.425 . . . . 0.0 112.363 172.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.497 HD12 HG12 ' B' ' 16' ' ' VAL . 5.7 mt -81.24 -58.58 3.6 Favored 'Isoleucine or valine' 0 C--N 1.396 2.617 1 O-C-N 115.928 -4.232 . . . . 0.0 109.264 178.107 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.422 ' HA ' ' HG ' ' B' ' 23' ' ' LEU . 5.2 m-30 -66.58 -30.89 71.29 Favored 'General case' 0 N--CA 1.427 -1.592 0 O-C-N 118.919 -2.363 . . . . 0.0 114.147 -166.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 pttm -65.59 -46.63 78.65 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 121.086 0.47 . . . . 0.0 110.174 173.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.87 3.85 13.39 Favored 'General case' 0 C--O 1.21 -1.026 0 C-N-CA 128.03 2.532 . . . . 0.0 110.416 -178.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.422 ' HG ' ' HA ' ' B' ' 20' ' ' PHE . 31.8 mt -72.39 6.28 2.42 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-N 123.041 2.655 . . . . 0.0 109.207 159.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.07 23.1 0.57 Allowed Glycine 1 CA--C 1.578 4.008 0 N-CA-C 120.134 2.814 . . . . 0.0 120.134 -168.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -151.55 121.6 7.15 Favored 'General case' 0 CA--C 1.587 2.391 0 CA-C-N 120.927 2.364 . . . . 0.0 107.212 -173.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -55.42 -38.2 68.65 Favored 'General case' 0 CA--C 1.571 1.751 0 C-N-CA 117.673 -1.611 . . . . 0.0 113.725 172.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -63.45 -43.89 96.09 Favored 'General case' 0 C--O 1.24 0.566 1 O-C-N 116.251 -4.031 . . . . 0.0 110.565 -174.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.495 ' HB3' HD21 ' B' ' 63' ' ' LEU . 54.3 mtt180 -46.61 -48.35 19.77 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 120.223 1.374 . . . . 0.0 111.056 174.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 40.7 mm -68.88 -39.56 80.08 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 C-N-CA 130.2 3.4 . . . . 0.0 111.892 -173.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -69.35 -31.28 69.62 Favored 'General case' 0 CA--C 1.504 -0.796 0 C-N-CA 130.936 3.695 . . . . 0.0 112.508 -175.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.545 ' HA ' HD21 ' B' ' 49' ' ' LEU . 4.5 mt -60.41 -43.74 94.65 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.863 0 CA-C-N 111.859 -2.428 . . . . 0.0 111.219 170.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 75.4 mtm -89.62 -49.26 6.77 Favored 'General case' 0 C--O 1.252 1.191 0 O-C-N 119.314 -2.116 . . . . 0.0 115.152 -163.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -10.93 -63.28 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.934 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 135.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.537 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.0 tm? -71.37 -50.92 27.36 Favored 'General case' 0 C--O 1.206 -1.2 0 N-CA-C 118.364 2.727 . . . . 0.0 118.364 -176.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.31 -32.63 57.02 Favored 'General case' 0 C--O 1.197 -1.659 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 5.0 p -67.98 -2.18 7.11 Favored 'General case' 0 CA--C 1.574 1.899 0 C-N-CA 129.032 2.933 . . . . 0.0 110.729 -172.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . 0.309 3.2 m -128.61 -37.3 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.586 2.36 0 C-N-CA 127.523 2.329 . . . . 0.0 111.954 174.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -156.79 127.59 6.73 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 117.926 -2.984 . . . . 0.0 104.692 162.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -73.45 127.41 32.63 Favored 'General case' 0 CA--C 1.58 2.108 0 N-CA-C 106.873 -1.528 . . . . 0.0 106.873 -165.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.3 143.62 48.25 Favored 'General case' 0 CA--C 1.584 2.254 0 O-C-N 117.57 -3.206 . . . . 0.0 112.07 -178.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 23.0 t -80.36 151.43 29.43 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 127.705 2.402 . . . . 0.0 113.851 162.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.423 HG23 HD23 ' B' ' 60' ' ' LEU . 95.4 t -12.68 -66.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.426 0 C-N-CA 125.968 1.707 . . . . 0.0 112.582 155.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.28 -35.26 90.65 Favored Glycine 0 CA--C 1.558 2.73 0 CA-C-O 118.745 -1.03 . . . . 0.0 113.605 -169.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -81.11 -43.6 19.19 Favored 'General case' 0 C--N 1.365 1.278 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 174.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 33.7 mt -49.37 -44.52 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 O-C-N 128.713 3.758 . . . . 0.0 109.509 173.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 73.3 m -45.31 -51.65 10.74 Favored 'General case' 0 C--N 1.342 0.245 0 O-C-N 127.962 3.289 . . . . 0.0 108.559 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -69.57 -55.07 11.16 Favored 'General case' 0 C--N 1.377 1.783 0 N-CA-C 115.332 1.604 . . . . 0.0 115.332 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -70.37 -6.01 32.35 Favored 'General case' 0 N--CA 1.525 3.319 0 CA-C-O 115.351 -2.262 . . . . 0.0 113.984 -175.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.545 HD21 ' HA ' ' B' ' 31' ' ' ILE . 5.7 mp -130.8 1.23 4.37 Favored 'General case' 0 CA--C 1.605 3.077 0 O-C-N 125.671 1.857 . . . . 0.0 108.532 -175.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 m120 59.94 51.65 5.8 Favored 'General case' 0 N--CA 1.525 3.307 0 C-N-CA 130.352 3.461 . . . . 0.0 114.479 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 73.0 mt -129.84 153.26 48.45 Favored 'General case' 0 C--O 1.278 2.598 0 N-CA-C 105.127 -2.175 . . . . 0.0 105.127 -168.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 22.9 t -74.76 142.38 44.31 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 123.228 1.489 . . . . 0.0 113.103 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -61.88 -38.56 88.76 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 117.562 -3.211 . . . . 0.0 109.614 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 46.6 m -62.17 -25.67 67.9 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 174.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -79.31 -35.92 40.43 Favored 'General case' 0 C--O 1.191 -1.987 0 C-N-CA 129.906 3.282 . . . . 0.0 110.476 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.415 ' C ' ' H ' ' B' ' 58' ' ' HIS . 17.3 t -83.52 -29.43 7.75 Favored 'Isoleucine or valine' 0 C--N 1.35 0.618 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 177.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 20.3 m -61.99 8.55 0.04 OUTLIER 'General case' 0 N--CA 1.527 3.425 0 C-N-CA 126.285 1.834 . . . . 0.0 112.923 159.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . 0.415 ' H ' ' C ' ' B' ' 56' ' ' VAL . 72.4 t60 -135.74 -33.99 0.84 Allowed 'General case' 0 N--CA 1.416 -2.134 0 C-N-CA 124.702 1.201 . . . . 0.0 110.588 174.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -77.76 -41.21 38.33 Favored 'General case' 0 N--CA 1.439 -0.981 0 O-C-N 117.031 -3.543 . . . . 0.0 106.173 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.423 HD23 HG23 ' B' ' 42' ' ' VAL . 6.2 tp -67.32 -42.02 84.32 Favored 'General case' 0 C--O 1.205 -1.275 1 O-C-N 114.236 -5.29 . . . . 0.0 106.341 179.566 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -70.62 -31.18 68.05 Favored 'General case' 0 CA--C 1.557 1.246 1 O-C-N 115.713 -4.367 . . . . 0.0 110.157 177.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.585 HD13 ' N ' ' B' ' 63' ' ' LEU . 0.1 OUTLIER -67.1 -47.01 72.49 Favored 'General case' 0 C--O 1.248 1.011 0 C-N-CA 119.487 -0.885 . . . . 0.0 112.107 172.413 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.585 ' N ' HD13 ' B' ' 62' ' ' LEU . 72.0 mt -61.67 -39.12 90.3 Favored 'General case' 0 C--O 1.185 -2.301 0 N-CA-C 118.854 2.909 . . . . 0.0 118.854 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -53.15 -38.84 63.07 Favored 'General case' 0 N--CA 1.537 3.903 1 CA-C-N 107.375 -4.466 . . . . 0.0 112.839 167.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.7 m -83.28 -8.61 59.42 Favored 'General case' 1 N--CA 1.546 4.337 0 CA-C-N 113.598 -1.637 . . . . 0.0 108.515 -178.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.444 HG23 ' CD1' ' B' ' 68' ' ' LEU 0.306 15.9 m -115.55 14.64 7.91 Favored 'Isoleucine or valine' 0 C--N 1.383 2.044 0 C-N-CA 128.573 2.749 . . . . 0.0 114.286 174.701 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 4.6 m80 66.92 18.71 10.64 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 113.877 -1.51 . . . . 0.0 112.698 162.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.444 ' CD1' HG23 ' B' ' 66' ' ' VAL . 2.9 mp -88.82 -13.57 39.03 Favored 'General case' 0 N--CA 1.517 2.889 0 CA-C-N 119.554 1.07 . . . . 0.0 113.366 169.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.3 t -128.9 143.23 41.85 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.09 0 C-N-CA 128.105 2.562 . . . . 0.0 115.8 -162.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -137.2 147.6 45.95 Favored 'General case' 0 C--O 1.274 2.384 0 CA-C-O 128.166 3.841 . . . . 0.0 113.727 165.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -99.56 152.38 20.1 Favored 'General case' 0 CA--C 1.576 1.953 0 O-C-N 118.386 -2.696 . . . . 0.0 117.237 173.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 39.4 pttt . . . . . 0 N--CA 1.53 3.53 0 CA-C-O 124.116 1.913 . . . . 0.0 114.263 172.531 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 36.4 ttm . . . . . 0 N--CA 1.418 -2.048 0 N-CA-C 101.934 -3.358 . . . . 0.0 101.934 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 39.9 mm -55.15 154.62 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.893 0 C-N-CA 127.75 2.42 . . . . 0.0 113.869 166.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -134.61 156.29 48.97 Favored 'General case' 0 CA--C 1.468 -2.197 0 CA-C-O 117.556 -1.211 . . . . 0.0 110.495 173.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . 0.321 15.8 m -150.2 159.53 44.36 Favored 'General case' 0 C--O 1.178 -2.674 0 C-N-CA 130.736 3.614 . . . . 0.0 107.54 -166.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.452 HD13 ' HB2' ' B' ' 88' ' ' ALA . 2.7 mt -58.79 131.2 50.22 Favored 'General case' 0 C--O 1.213 -0.839 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 160.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -55.22 -48.62 73.63 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 127.572 2.349 . . . . 0.0 110.027 -168.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -154.49 174.58 14.72 Favored 'General case' 0 N--CA 1.422 -1.843 0 O-C-N 119.766 -1.834 . . . . 0.0 112.607 141.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 2.0 pp -65.41 -8.68 6.29 Favored 'Isoleucine or valine' 0 C--O 1.261 1.705 0 C-N-CA 130.566 3.546 . . . . 0.0 115.014 -169.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -51.49 -62.48 1.6 Allowed 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 119.091 -2.256 . . . . 0.0 111.275 164.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 m -82.71 -20.92 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.808 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 -175.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.452 ' HB2' HD13 ' B' ' 82' ' ' LEU . . . -54.19 -37.66 64.76 Favored 'General case' 0 C--O 1.184 -2.353 0 C-N-CA 116.981 -1.888 . . . . 0.0 112.079 163.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 73.6 m -64.55 -58.2 7.02 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 130.134 3.374 . . . . 0.0 108.077 178.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 11.8 tmm? -40.62 -53.48 2.74 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.931 -1.73 . . . . 0.0 115.25 170.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 4.7 tt -60.38 -46.5 89.72 Favored 'General case' 0 N--CA 1.415 -2.221 0 O-C-N 125.336 1.648 . . . . 0.0 112.883 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -62.72 -35.89 81.2 Favored 'General case' 0 N--CA 1.425 -1.694 0 CA-C-O 123.026 1.393 . . . . 0.0 113.573 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -85.47 -11.28 54.68 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 119.04 -2.288 . . . . 0.0 115.717 176.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.49 -37.62 56.51 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 125.179 1.549 . . . . 0.0 110.487 177.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 1.7 mp -63.26 -45.12 99.14 Favored 'Isoleucine or valine' 0 C--N 1.375 1.694 0 O-C-N 124.845 1.341 . . . . 0.0 111.264 166.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -45.67 89.24 Favored 'General case' 0 C--N 1.377 1.785 0 CA-C-O 122.399 1.095 . . . . 0.0 109.398 -174.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . 0.28 8.2 t60 -55.14 -28.31 51.84 Favored 'General case' 0 N--CA 1.511 2.619 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 167.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.23 -0.88 57.8 Favored 'General case' 0 C--O 1.273 2.301 1 O-C-N 115.397 -4.564 . . . . 0.0 115.033 174.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -147.37 60.9 1.16 Allowed 'General case' 1 CA--C 1.63 4.055 0 CA-C-N 112.764 -2.016 . . . . 0.0 111.716 -168.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 22.5 m170 . . . . . 0 N--CA 1.496 1.857 0 CA-C-N 113.341 -1.754 . . . . 0.0 113.337 168.536 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.0 p . . . . . 0 CA--C 1.564 1.494 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.359 20.1 m-20 72.57 -47.92 0.68 Allowed 'General case' 0 C--O 1.248 1.01 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 176.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.5 p -149.96 -7.01 0.32 Allowed 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 128.009 2.524 . . . . 0.0 113.275 173.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.674 ' O ' HG23 ' A' ' 17' ' ' THR . 1.5 mm? -66.31 -31.24 71.91 Favored 'General case' 0 CA--C 1.582 2.186 0 N-CA-C 117.325 2.343 . . . . 0.0 117.325 -161.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.25 1.8 mt-10 -73.55 -31.75 63.81 Favored 'General case' 0 N--CA 1.476 0.836 1 CA-C-O 111.488 -4.101 . . . . 0.0 112.756 169.144 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.444 ' HG2' ' HB1' ' B' ' 98' ' ' ALA . 35.4 ttm180 -78.4 -10.18 59.59 Favored 'General case' 1 N--CA 1.547 4.411 0 N-CA-C 118.579 2.807 . . . . 0.0 118.579 165.377 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.533 HG12 ' CZ ' ' A' ' 20' ' ' PHE . 11.1 t -84.35 -45.34 18.0 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.58 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 167.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 13' ' ' LEU 0.258 25.8 p -49.86 -32.53 14.58 Favored 'General case' 0 C--N 1.411 3.26 0 CA-C-N 120.99 1.723 . . . . 0.0 111.883 170.091 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -70.1 -17.84 63.23 Favored 'General case' 0 C--O 1.2 -1.507 0 CA-C-O 114.139 -2.838 . . . . 0.0 115.693 174.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.328 2.2 pp -101.67 3.78 10.6 Favored 'Isoleucine or valine' 0 C--O 1.267 2.023 0 CA-C-N 121.566 1.985 . . . . 0.0 112.806 166.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.533 ' CZ ' HG12 ' A' ' 16' ' ' VAL . 6.0 m-85 -94.62 -32.03 13.59 Favored 'General case' 0 N--CA 1.505 2.296 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 162.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -59.35 63.07 0.0 OUTLIER 'General case' 0 CA--C 1.567 1.626 0 C-N-CA 128.839 2.855 . . . . 0.0 107.165 146.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -176.88 -13.92 0.01 OUTLIER 'General case' 0 N--CA 1.537 3.894 1 C-N-CA 132.612 4.365 . . . . 0.0 113.213 174.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.4 mt -106.98 -122.91 0.24 Allowed 'General case' 0 CA--C 1.58 2.114 0 O-C-N 118.163 -2.835 . . . . 0.0 107.262 -165.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.55 -22.26 0.18 Allowed Glycine 0 CA--C 1.541 1.695 0 C-N-CA 129.693 3.52 . . . . 0.0 119.043 168.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -107.91 177.42 4.82 Favored 'General case' 0 CA--C 1.571 1.782 0 CA-C-O 124.548 2.118 . . . . 0.0 108.718 -167.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -93.76 -92.34 0.18 Allowed 'General case' 0 N--CA 1.515 2.782 0 C-N-CA 127.308 2.243 . . . . 0.0 108.71 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -50.06 -45.78 52.64 Favored 'General case' 0 C--N 1.393 2.49 0 O-C-N 117.671 -3.143 . . . . 0.0 112.859 -170.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -29.15 -49.53 0.08 Allowed 'General case' 0 N--CA 1.535 3.789 0 N-CA-C 118.315 2.709 . . . . 0.0 118.315 172.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.321 6.5 pt -97.99 -10.62 8.78 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.041 0 C-N-CA 128.068 2.547 . . . . 0.0 115.615 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.1 ttp85 -69.52 -22.28 63.6 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 129.598 3.159 . . . . 0.0 110.935 165.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . 0.252 17.0 mt -72.1 -52.12 26.51 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-N 113.89 -1.505 . . . . 0.0 109.503 169.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . 0.295 42.2 mtm -79.91 -36.61 36.15 Favored 'General case' 0 CA--C 1.611 3.292 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 -167.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -23.6 -44.75 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.746 0 N-CA-C 118.254 2.687 . . . . 0.0 118.254 139.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.484 HD13 ' C ' ' A' ' 34' ' ' LEU 0.315 0.4 OUTLIER -95.45 -33.56 12.42 Favored 'General case' 0 C--O 1.277 2.524 0 CA-C-N 122.416 2.371 . . . . 0.0 111.648 -173.371 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.04 -8.08 14.67 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 119.295 -2.128 . . . . 0.0 115.188 174.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 63.5 m -86.81 -1.1 57.51 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-N 109.258 -3.61 . . . . 0.0 113.479 175.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 35.3 m -138.52 -44.51 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.584 2.275 0 C-N-CA 129.422 3.089 . . . . 0.0 118.914 167.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -142.74 112.5 6.9 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -73.84 125.76 28.89 Favored 'General case' 0 C--O 1.246 0.906 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 -169.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.76 152.54 49.14 Favored 'General case' 0 CA--C 1.597 2.754 0 CA-C-N 121.703 2.047 . . . . 0.0 111.075 -175.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.3 t -88.27 159.94 17.89 Favored 'General case' 0 C--O 1.183 -2.422 0 CA-C-N 111.659 -2.519 . . . . 0.0 116.218 163.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.1 t -10.42 -55.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.474 -1.965 0 CA-C-O 112.8 -3.476 . . . . 0.0 119.427 162.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.96 -42.99 50.78 Favored Glycine 0 CA--C 1.555 2.569 0 CA-C-N 124.787 3.449 . . . . 0.0 117.819 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -79.87 -36.11 37.14 Favored 'General case' 0 N--CA 1.435 -1.215 0 O-C-N 116.9 -3.706 . . . . 0.0 109.733 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.8 mt -48.79 -68.64 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.602 2.945 0 C-N-CA 115.89 -2.324 . . . . 0.0 109.816 170.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.9 m -49.28 -28.31 4.63 Favored 'General case' 0 CA--C 1.475 -1.918 0 CA-C-O 115.104 -2.379 . . . . 0.0 112.331 -175.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -82.4 -58.48 2.91 Favored 'General case' 0 CA--C 1.577 1.993 0 CA-C-N 122.702 2.501 . . . . 0.0 112.094 167.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -57.18 -42.97 82.17 Favored 'General case' 0 N--CA 1.52 3.032 0 N-CA-C 117.166 2.284 . . . . 0.0 117.166 -176.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 49' ' ' LEU . 6.7 mp -82.77 -20.1 36.52 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 118.903 -2.373 . . . . 0.0 114.456 169.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.9 m120 68.37 53.65 0.58 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 126.731 2.519 . . . . 0.0 115.336 -173.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.1 mt -98.83 -123.99 0.15 Allowed 'General case' 0 C--O 1.266 1.951 0 O-C-N 120.899 -1.126 . . . . 0.0 113.164 173.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.72 139.42 5.36 Favored 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 129.714 3.206 . . . . 0.0 106.75 -174.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -66.54 -38.13 86.46 Favored 'General case' 0 CA--C 1.577 2.017 0 CA-C-O 115.02 -2.419 . . . . 0.0 111.034 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.6 m -58.7 -37.22 75.62 Favored 'General case' 0 C--O 1.2 -1.509 0 CA-C-N 123.131 2.696 . . . . 0.0 113.423 169.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -83.24 -24.24 32.42 Favored 'General case' 0 C--N 1.288 -2.084 0 CA-C-N 120.507 1.503 . . . . 0.0 112.02 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.2 t -94.33 -22.28 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.29 1 O-C-N 113.393 -5.817 . . . . 0.0 109.695 176.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . 0.253 15.7 m -58.72 -0.83 0.12 Allowed 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 118.224 2.675 . . . . 0.0 118.224 152.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 61.3 t-80 -123.65 -51.65 1.82 Allowed 'General case' 0 N--CA 1.502 2.17 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -77.67 -34.56 52.97 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 118.303 -2.748 . . . . 0.0 113.966 -162.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.472 HD21 ' CD1' ' A' ' 80' ' ' TYR 0.29 12.3 tp -61.03 -45.04 96.42 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 117.23 -1.366 . . . . 0.0 109.508 167.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -63.3 -35.99 82.18 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 124.33 1.019 . . . . 0.0 112.217 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -60.56 -59.57 5.19 Favored 'General case' 0 CA--C 1.618 3.596 0 CA-C-N 113.337 -1.756 . . . . 0.0 110.415 174.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 37.7 mt -65.81 -29.03 69.45 Favored 'General case' 0 CA--C 1.489 -1.373 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.804 -167.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -41.38 88.75 Favored 'General case' 0 C--N 1.311 -1.101 0 C-N-CA 127.17 2.188 . . . . 0.0 112.676 175.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.2 m -70.86 -13.12 61.92 Favored 'General case' 0 CA--C 1.581 2.168 0 O-C-N 127.652 3.095 . . . . 0.0 114.116 166.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.419 27.5 m -114.8 19.38 7.2 Favored 'Isoleucine or valine' 0 C--O 1.253 1.271 0 O-C-N 124.218 0.949 . . . . 0.0 113.508 171.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.2 p80 48.67 24.8 0.85 Allowed 'General case' 0 C--N 1.372 1.581 0 C-N-CA 129.979 3.312 . . . . 0.0 114.436 172.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.2 mp -84.83 -23.3 29.12 Favored 'General case' 0 N--CA 1.533 3.711 0 C-N-CA 116.188 -2.205 . . . . 0.0 111.205 160.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.5 t -112.53 155.22 13.84 Favored 'Isoleucine or valine' 0 C--O 1.28 2.671 0 C-N-CA 125.969 1.708 . . . . 0.0 110.007 -179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -138.01 128.17 25.92 Favored 'General case' 0 N--CA 1.415 -2.21 0 C-N-CA 125.509 1.523 . . . . 0.0 107.243 176.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.508 ' HB2' ' CE2' ' A' ' 80' ' ' TYR . . . -77.49 147.62 35.77 Favored 'General case' 0 N--CA 1.521 3.077 0 O-C-N 119.902 -1.749 . . . . 0.0 115.085 163.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -126.28 135.02 51.03 Favored 'General case' 0 N--CA 1.517 2.89 0 C-N-CA 125.569 1.548 . . . . 0.0 111.929 153.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 . . . . . 0 CA--C 1.566 1.594 0 O-C-N 119.845 -1.785 . . . . 0.0 113.552 -178.351 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 73.0 mtm . . . . . 0 CA--C 1.593 2.616 0 N-CA-C 104.474 -2.417 . . . . 0.0 104.474 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.7 mm -90.87 148.94 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.152 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 161.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.508 ' CE2' ' HB2' ' A' ' 71' ' ' ALA . 70.4 m-85 -137.0 144.15 43.15 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 114.963 -2.446 . . . . 0.0 112.995 -165.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.1 m -140.86 172.43 12.7 Favored 'General case' 0 C--O 1.201 -1.486 0 C-N-CA 131.589 3.956 . . . . 0.0 109.167 -154.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.69 164.35 12.23 Favored 'General case' 0 C--O 1.2 -1.519 0 C-N-CA 119.343 -0.943 . . . . 0.0 110.648 157.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -76.29 -41.85 47.34 Favored 'General case' 0 C--N 1.317 -0.841 0 O-C-N 120.024 -1.672 . . . . 0.0 113.718 174.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.7 p30 -155.77 -173.39 4.51 Favored 'General case' 0 C--O 1.203 -1.366 0 CA-C-O 125.105 2.383 . . . . 0.0 110.037 158.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.0 tp -55.61 -27.98 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.052 0 CA-C-O 114.117 -2.849 . . . . 0.0 116.769 176.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.494 ' CD2' ' CD2' ' B' ' 96' ' ' HIS . 13.1 m80 -59.64 -57.75 11.57 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 126.939 2.649 . . . . 0.0 115.01 169.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -73.56 -34.35 41.85 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.442 0 O-C-N 119.082 -2.261 . . . . 0.0 110.244 -175.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.92 -32.61 66.12 Favored 'General case' 0 CA--C 1.615 3.461 0 CA-C-O 117.449 -1.263 . . . . 0.0 109.935 169.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 86.1 m -83.1 -36.28 24.96 Favored 'General case' 0 C--O 1.173 -2.922 0 CA-C-O 116.127 -1.892 . . . . 0.0 111.887 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 49.0 ttp -50.54 -62.99 1.27 Allowed 'General case' 0 N--CA 1.479 1.023 0 O-C-N 126.638 2.461 . . . . 0.0 110.233 173.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.1 tt -59.21 -37.4 77.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.306 -1.496 . . . . 0.0 113.305 176.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -70.79 -31.2 67.89 Favored 'General case' 0 CA--C 1.488 -1.43 0 CA-C-O 114.323 -2.751 . . . . 0.0 111.337 -176.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -96.28 2.72 53.11 Favored 'General case' 0 C--N 1.291 -1.965 1 CA-C-N 126.601 4.273 . . . . 0.0 113.986 -178.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.502 ' C ' ' H ' ' A' ' 96' ' ' HIS . . . -81.67 -53.33 6.31 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-O 114.127 -2.844 . . . . 0.0 107.663 151.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -61.06 15.34 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 128.645 2.778 . . . . 0.0 115.494 168.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.502 ' H ' ' C ' ' A' ' 94' ' ' ALA . 0.8 OUTLIER -128.99 -13.31 4.58 Favored 'General case' 0 C--O 1.186 -2.278 0 C-N-CA 129.091 2.956 . . . . 0.0 115.286 -179.642 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.538 ' CE1' ' HE1' ' A' ' 100' ' ' HIS . 19.1 t60 -116.3 -7.32 11.78 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 125.478 1.511 . . . . 0.0 113.799 169.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.641 ' HB2' HG13 ' B' ' 16' ' ' VAL . . . -54.44 -31.99 56.62 Favored 'General case' 0 CA--C 1.566 1.589 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 164.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -145.1 151.39 38.42 Favored 'General case' 0 N--CA 1.412 -2.363 0 C-N-CA 125.489 1.516 . . . . 0.0 110.742 174.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.538 ' HE1' ' CE1' ' A' ' 97' ' ' HIS . 17.2 m170 -129.28 53.57 11.91 Favored Pre-proline 0 C--O 1.25 1.129 0 O-C-N 127.127 2.767 . . . . 0.0 111.48 -175.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo . . . . . 0 C--O 1.284 2.779 0 CA-C-O 127.178 2.907 . . . . 0.0 115.24 177.276 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 36.7 p . . . . . 0 C--O 1.249 1.038 0 N-CA-C 113.04 0.755 . . . . 0.0 113.04 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 49.51 -42.13 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.56 1 C-N-CA 133.132 4.573 . . . . 0.0 115.725 -165.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 63.4 p -114.56 -52.94 2.69 Favored 'General case' 0 C--O 1.252 1.185 0 O-C-N 125.87 1.981 . . . . 0.0 116.107 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.21 -48.06 24.21 Favored 'General case' 0 N--CA 1.511 2.608 0 O-C-N 117.053 -3.53 . . . . 0.0 120.125 -170.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -66.52 5.11 0.63 Allowed 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 128.195 2.598 . . . . 0.0 115.409 174.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.97 -22.82 2.03 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 113.858 -1.519 . . . . 0.0 108.715 -174.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.641 HG13 ' HB2' ' A' ' 98' ' ' ALA . 25.7 m -93.52 -6.22 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.614 0 O-C-N 118.388 -2.695 . . . . 0.0 115.657 165.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 54.3 p -64.03 -29.92 71.03 Favored 'General case' 0 CA--C 1.577 1.988 0 N-CA-C 105.923 -1.88 . . . . 0.0 105.923 167.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -54.01 -39.17 65.87 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 124.726 1.211 . . . . 0.0 113.867 165.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.523 HD12 HG12 ' B' ' 16' ' ' VAL . 53.9 mt -86.12 -57.75 4.04 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.193 0 CA-C-O 123.649 1.69 . . . . 0.0 110.74 177.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -78.74 -12.69 60.03 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 119.527 -1.983 . . . . 0.0 110.447 -156.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.5 pttm -83.08 -36.67 24.7 Favored 'General case' 0 C--O 1.243 0.761 1 O-C-N 116.254 -4.029 . . . . 0.0 114.272 159.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.27 -14.4 62.96 Favored 'General case' 0 C--O 1.207 -1.177 0 CA-C-O 123.803 1.763 . . . . 0.0 115.331 -170.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 22.6 mt -65.55 -11.36 43.15 Favored 'General case' 0 CA--C 1.575 1.93 0 CA-C-N 110.892 -2.867 . . . . 0.0 118.028 -174.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.2 35.76 0.31 Allowed Glycine 0 CA--C 1.559 2.833 0 C-N-CA 130.486 3.898 . . . . 0.0 116.354 -173.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -144.29 127.86 17.06 Favored 'General case' 0 N--CA 1.508 2.471 0 CA-C-N 120.441 2.12 . . . . 0.0 105.472 161.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -29.43 69.43 Favored 'General case' 0 CA--C 1.595 2.682 0 O-C-N 118.991 -2.318 . . . . 0.0 106.86 -177.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -72.04 -41.03 67.96 Favored 'General case' 0 CA--C 1.577 1.982 0 O-C-N 119.216 -2.178 . . . . 0.0 109.499 -172.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.419 ' HA ' HD12 ' B' ' 31' ' ' ILE . 95.3 mtt180 -50.57 -35.45 29.99 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 125.486 2.565 . . . . 0.0 114.776 167.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 13.8 mm -91.34 -28.4 4.78 Favored 'Isoleucine or valine' 0 C--O 1.261 1.695 0 CA-C-N 111.85 -2.432 . . . . 0.0 111.008 -169.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . 0.31 11.5 ttt180 -70.32 -33.54 71.63 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 118.75 -2.469 . . . . 0.0 108.374 171.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' B' ' 28' ' ' ARG . 26.2 mt -52.93 -47.58 52.84 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.606 0 O-C-N 124.65 1.219 . . . . 0.0 113.868 161.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 75.7 mtm -97.08 -33.52 11.49 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-N 121.699 2.045 . . . . 0.0 112.169 -158.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -34.75 -63.92 0.29 Allowed 'General case' 0 CA--C 1.572 1.804 0 O-C-N 125.33 1.644 . . . . 0.0 112.987 140.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.634 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.2 tm? -57.93 -44.47 86.93 Favored 'General case' 0 C--N 1.365 1.258 0 CA-C-N 121.149 1.795 . . . . 0.0 115.356 -178.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.538 ' N ' HD13 ' B' ' 34' ' ' LEU . 79.6 mt -58.92 -33.51 70.66 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-O 126.707 3.146 . . . . 0.0 110.178 -172.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . 0.445 ' HB3' HD11 ' B' ' 82' ' ' LEU . 6.0 p -66.19 -17.86 64.99 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 112.089 -2.323 . . . . 0.0 113.831 -172.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 35.4 m -106.88 -47.85 8.37 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.601 0 O-C-N 127.355 2.91 . . . . 0.0 117.622 165.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 33.1 m -140.47 137.36 33.82 Favored 'General case' 0 CA--C 1.494 -1.197 0 CA-C-N 123.483 2.856 . . . . 0.0 110.981 158.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.99 144.17 53.87 Favored 'General case' 0 C--O 1.293 3.38 0 CA-C-O 117.662 -1.161 . . . . 0.0 111.391 -176.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -140.54 157.23 45.79 Favored 'General case' 0 CA--C 1.602 2.946 0 CA-C-N 119.994 1.27 . . . . 0.0 108.481 166.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 26.6 t -117.18 156.89 26.9 Favored 'General case' 0 N--CA 1.424 -1.751 0 C-N-CA 125.546 1.539 . . . . 0.0 113.727 169.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 99.5 t -16.86 -56.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.137 1 C-N-CA 132.228 4.211 . . . . 0.0 113.565 -171.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.75 -46.67 7.69 Favored Glycine 0 N--CA 1.494 2.512 0 CA-C-N 122.337 2.335 . . . . 0.0 110.146 -169.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 -55.6 -50.73 69.34 Favored 'General case' 0 CA--C 1.567 1.603 0 CA-C-O 115.856 -2.021 . . . . 0.0 113.075 168.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.851 HG23 HD13 ' B' ' 49' ' ' LEU . 55.7 mt -56.07 -47.63 80.11 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 CA-C-N 122.669 2.486 . . . . 0.0 108.791 177.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 72.3 m -56.22 -32.17 64.18 Favored 'General case' 0 CA--C 1.604 3.021 0 O-C-N 118.105 -2.872 . . . . 0.0 115.204 174.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.44 -53.7 7.33 Favored 'General case' 0 CA--C 1.585 2.313 0 C-N-CA 116.528 -2.069 . . . . 0.0 113.153 167.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -57.56 -34.38 69.13 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.24 2.216 . . . . 0.0 114.809 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.851 HD13 HG23 ' B' ' 45' ' ' ILE . 6.0 mp -111.48 8.89 21.27 Favored 'General case' 0 C--N 1.269 -2.913 0 C-N-CA 128.666 2.786 . . . . 0.0 113.524 -177.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 35.2 m120 42.24 56.42 3.65 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-O 123.847 1.784 . . . . 0.0 109.64 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 14.7 mt -115.35 168.59 9.84 Favored 'General case' 0 C--N 1.358 0.962 0 O-C-N 118.72 -2.487 . . . . 0.0 105.031 171.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.1 t -68.74 140.14 55.36 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 120.552 3.538 . . . . 0.0 120.552 161.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -60.92 -39.74 90.55 Favored 'General case' 0 C--O 1.211 -0.93 0 C-N-CA 124.661 1.184 . . . . 0.0 110.6 177.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.4 -22.1 66.75 Favored 'General case' 0 C--O 1.254 1.303 0 C-N-CA 125.181 1.392 . . . . 0.0 114.325 170.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . 0.256 14.9 t-20 -76.97 -48.92 16.7 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 126.586 1.955 . . . . 0.0 106.466 177.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.2 t -79.43 -25.29 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.969 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -178.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 60.4 m -56.89 -2.57 0.09 Allowed 'General case' 0 N--CA 1.513 2.679 0 O-C-N 118.584 -2.572 . . . . 0.0 113.378 165.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -129.24 -37.91 1.62 Allowed 'General case' 0 N--CA 1.511 2.614 0 O-C-N 120.442 -1.412 . . . . 0.0 112.808 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -79.76 -33.82 40.34 Favored 'General case' 0 C--O 1.208 -1.088 0 O-C-N 128.047 3.342 . . . . 0.0 108.74 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.562 HD21 ' CG ' ' B' ' 80' ' ' TYR . 13.0 tp -65.63 -31.63 72.76 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 172.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -71.16 -39.53 71.86 Favored 'General case' 0 C--O 1.272 2.246 0 N-CA-C 117.697 2.48 . . . . 0.0 117.697 168.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.418 ' C ' HD13 ' B' ' 62' ' ' LEU . 1.4 tm? -55.24 -52.81 62.2 Favored 'General case' 0 CA--C 1.491 -1.32 0 CA-C-O 122.397 1.094 . . . . 0.0 111.787 170.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.41 ' N ' HD13 ' B' ' 62' ' ' LEU . 19.6 mt -60.03 -37.19 79.05 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 125.809 1.644 . . . . 0.0 113.505 -174.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -59.22 -54.28 48.7 Favored 'General case' 0 C--O 1.206 -1.223 1 CA-C-N 107.947 -4.206 . . . . 0.0 112.574 172.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . 0.266 5.4 m -58.97 -14.34 9.01 Favored 'General case' 0 N--CA 1.518 2.975 0 CA-C-O 114.149 -2.834 . . . . 0.0 112.583 170.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . 0.25 29.5 m -121.81 28.24 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.931 0 CA-C-N 124.749 3.431 . . . . 0.0 110.153 177.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . 0.323 13.8 m170 70.02 -0.64 2.68 Favored 'General case' 0 C--O 1.264 1.841 0 O-C-N 118.201 -2.812 . . . . 0.0 117.698 155.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 3.6 mp -84.32 -16.69 42.08 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-N 124.071 3.123 . . . . 0.0 117.358 165.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 t -117.17 143.24 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 127.82 2.448 . . . . 0.0 111.902 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -127.21 153.47 46.05 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 127.233 2.213 . . . . 0.0 109.522 158.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . 0.404 ' HB1' ' SD ' ' B' ' 78' ' ' MET . . . -101.76 148.35 25.39 Favored 'General case' 0 CA--C 1.564 1.517 0 C-N-CA 129.052 2.941 . . . . 0.0 114.155 162.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 35.8 pttt . . . . . 0 C--N 1.306 -1.289 0 C-N-CA 126.083 1.753 . . . . 0.0 115.682 173.462 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.404 ' SD ' ' HB1' ' B' ' 71' ' ' ALA . 38.0 ttm . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 116.038 -1.934 . . . . 0.0 106.048 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 15.9 mm -101.17 145.88 10.58 Favored 'Isoleucine or valine' 0 C--O 1.265 1.874 0 CA-C-N 124.878 3.49 . . . . 0.0 103.877 -174.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . 0.562 ' CG ' HD21 ' B' ' 60' ' ' LEU . 61.3 m-85 -123.1 135.37 54.35 Favored 'General case' 0 CA--C 1.59 2.502 0 O-C-N 116.773 -3.704 . . . . 0.0 110.165 -174.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.18 177.71 4.63 Favored 'General case' 0 CA--C 1.483 -1.607 0 C-N-CA 131.564 3.946 . . . . 0.0 115.66 -174.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.688 HD13 ' HB2' ' B' ' 88' ' ' ALA . 22.7 mt -75.35 142.39 43.18 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 127.922 2.489 . . . . 0.0 104.992 155.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -69.9 -53.3 18.59 Favored 'General case' 0 C--N 1.388 2.251 0 CA-C-N 119.434 1.016 . . . . 0.0 110.917 -174.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . 0.275 3.9 p30 -138.73 171.4 14.4 Favored 'General case' 0 CA--C 1.624 3.804 0 CA-C-O 126.682 3.134 . . . . 0.0 111.358 141.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.417 ' H ' HG13 ' B' ' 85' ' ' ILE . 2.5 pp -66.4 0.95 0.68 Allowed 'Isoleucine or valine' 0 C--O 1.215 -0.726 0 N-CA-C 117.448 2.388 . . . . 0.0 117.448 175.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -57.55 -58.25 9.11 Favored 'General case' 0 C--N 1.362 1.144 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 161.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 3.4 m -75.15 -23.92 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 120.851 -1.156 . . . . 0.0 111.694 -170.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.688 ' HB2' HD13 ' B' ' 82' ' ' LEU . . . -61.58 -37.38 83.63 Favored 'General case' 0 C--O 1.19 -2.039 0 CA-C-O 121.841 0.829 . . . . 0.0 109.871 171.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 61.3 m -73.15 -44.67 59.71 Favored 'General case' 0 C--O 1.259 1.598 0 CA-C-O 114.951 -2.452 . . . . 0.0 109.391 178.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -47.36 -46.47 25.76 Favored 'General case' 0 C--O 1.255 1.369 0 CA-C-N 121.371 1.896 . . . . 0.0 111.565 167.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.441 HD23 HD13 ' B' ' 95' ' ' ILE . 5.5 tt -75.55 -48.55 21.94 Favored 'General case' 0 N--CA 1.418 -2.072 0 O-C-N 124.138 0.899 . . . . 0.0 111.961 -168.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -52.68 -35.48 55.34 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 115.667 -2.111 . . . . 0.0 115.398 167.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -77.84 -24.12 48.73 Favored 'General case' 0 N--CA 1.511 2.624 0 O-C-N 126.142 2.151 . . . . 0.0 111.061 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.14 -52.46 12.46 Favored 'General case' 0 CA--C 1.598 2.793 0 CA-C-O 114.634 -2.603 . . . . 0.0 109.971 174.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.441 HD13 HD23 ' B' ' 91' ' ' LEU . 1.6 mp -44.38 -47.65 2.38 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.875 0 C-N-CA 126.293 1.837 . . . . 0.0 111.201 161.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . 0.494 ' CD2' ' CD2' ' A' ' 86' ' ' HIS . 3.7 t60 -65.44 -49.37 69.41 Favored 'General case' 0 CA--C 1.576 1.943 0 O-C-N 124.116 0.885 . . . . 0.0 113.064 -173.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -64.35 -20.44 66.11 Favored 'General case' 0 CA--C 1.583 2.216 0 CA-C-O 114.474 -2.679 . . . . 0.0 116.652 174.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.444 ' HB1' ' HG2' ' A' ' 15' ' ' ARG . . . -95.91 0.96 52.62 Favored 'General case' 0 CA--C 1.571 1.783 0 CA-C-N 121.377 1.898 . . . . 0.0 111.229 174.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -144.56 62.72 1.32 Allowed 'General case' 0 C--O 1.265 1.91 0 O-C-N 119.254 -2.154 . . . . 0.0 110.876 172.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 67.6 m170 . . . . . 0 CA--C 1.557 1.214 0 CA-C-O 115.96 -1.971 . . . . 0.0 107.583 172.639 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.5 2.038 0 CA-C-O 113.275 -3.25 . . . . 0.0 112.212 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.298 11.9 m-20 60.13 -49.37 0.09 Allowed 'General case' 0 C--N 1.382 2.018 0 O-C-N 128.22 3.45 . . . . 0.0 118.135 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.9 p -127.6 -20.71 3.91 Favored 'General case' 0 N--CA 1.425 -1.696 0 O-C-N 118.582 -2.574 . . . . 0.0 109.006 170.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -56.41 -33.08 65.45 Favored 'General case' 0 C--O 1.18 -2.561 0 C-N-CA 129.869 3.268 . . . . 0.0 116.207 -162.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -71.53 -28.09 63.64 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 105.531 -2.026 . . . . 0.0 105.531 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -84.72 -5.29 59.31 Favored 'General case' 0 C--O 1.209 -1.049 0 CA-C-O 121.908 0.861 . . . . 0.0 112.246 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.475 HG12 ' CZ ' ' A' ' 20' ' ' PHE . 11.3 t -100.01 -38.63 6.74 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.317 0 C-N-CA 127.054 2.142 . . . . 0.0 107.773 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.7 p -72.26 -14.9 61.89 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 119.072 -2.267 . . . . 0.0 106.272 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -64.78 -35.99 82.88 Favored 'General case' 0 N--CA 1.514 2.738 0 N-CA-C 104.829 -2.285 . . . . 0.0 104.829 169.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.388 2.1 pp -102.93 21.46 2.59 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 CA-C-O 113.35 -3.214 . . . . 0.0 112.426 -177.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.475 ' CZ ' HG12 ' A' ' 16' ' ' VAL . 8.3 m-85 -107.93 -27.69 10.04 Favored 'General case' 0 CA--C 1.564 1.491 0 CA-C-N 122.864 2.575 . . . . 0.0 112.415 161.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -77.91 69.65 4.17 Favored 'General case' 0 C--O 1.274 2.377 0 CA-C-O 127.801 3.667 . . . . 0.0 107.727 161.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -169.67 -42.21 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 110.829 -2.896 . . . . 0.0 109.682 -174.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.3 mt -75.47 -128.48 0.01 OUTLIER 'General case' 0 CA--C 1.58 2.134 0 C-N-CA 129.662 3.185 . . . . 0.0 108.472 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.46 7.35 7.39 Favored Glycine 2 N--CA 1.529 4.893 0 N-CA-C 121.854 3.502 . . . . 0.0 121.854 169.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . 0.362 49.9 t0 -137.89 160.64 38.76 Favored 'General case' 0 N--CA 1.503 2.189 0 C-N-CA 126.393 1.877 . . . . 0.0 108.992 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -86.32 -68.65 0.72 Allowed 'General case' 0 C--O 1.28 2.708 0 CA-C-O 126.738 3.161 . . . . 0.0 117.358 -171.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -56.57 -51.71 67.58 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 117.133 -3.48 . . . . 0.0 107.345 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -27.02 -35.7 0.01 OUTLIER 'General case' 0 C--O 1.195 -1.8 0 N-CA-C 118.614 2.82 . . . . 0.0 118.614 171.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.421 HG13 HD11 ' B' ' 13' ' ' LEU 0.265 2.3 pt -111.53 -21.2 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.637 0 CA-C-O 113.945 -2.931 . . . . 0.0 113.693 173.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.9 ttp85 -57.52 -16.73 10.7 Favored 'General case' 0 N--CA 1.519 2.989 0 O-C-N 125.456 1.722 . . . . 0.0 111.768 162.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.6 mt -84.86 -34.46 9.1 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.899 0 O-C-N 120.022 -1.674 . . . . 0.0 112.28 176.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.1 mtm -84.21 -34.13 23.99 Favored 'General case' 0 CA--C 1.578 2.043 0 O-C-N 117.202 -3.436 . . . . 0.0 112.292 -175.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.44 ' HA ' HD22 ' A' ' 91' ' ' LEU . 1.5 tm-20 -37.81 -39.74 0.38 Allowed 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 150.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.489 HD13 ' C ' ' A' ' 34' ' ' LEU . 1.5 tm? -83.38 -49.82 8.96 Favored 'General case' 0 C--O 1.197 -1.69 0 O-C-N 119.06 -2.275 . . . . 0.0 112.972 177.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.421 HD23 ' H ' ' A' ' 40' ' ' ALA . 85.2 mt -53.8 -28.28 34.18 Favored 'General case' 0 C--O 1.262 1.74 0 O-C-N 118.635 -2.54 . . . . 0.0 114.792 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.2 m -57.09 -16.62 7.9 Favored 'General case' 0 CA--C 1.569 1.68 0 O-C-N 127.948 3.28 . . . . 0.0 119.141 169.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.2 m -125.26 -25.01 1.77 Allowed 'Isoleucine or valine' 0 C--O 1.301 3.777 0 O-C-N 128.142 3.401 . . . . 0.0 113.155 172.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.4 m -153.31 113.19 3.9 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 117.719 -3.113 . . . . 0.0 110.087 165.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -55.06 117.98 3.93 Favored 'General case' 0 C--O 1.269 2.096 0 C-N-CA 125.377 1.471 . . . . 0.0 112.845 174.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.421 ' H ' HD23 ' A' ' 35' ' ' LEU . . . -129.82 160.46 33.41 Favored 'General case' 0 N--CA 1.423 -1.791 0 C-N-CA 127.939 2.496 . . . . 0.0 113.185 -175.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.416 ' HB2' ' HA ' ' A' ' 79' ' ' ILE . 29.0 t -129.47 158.91 37.88 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 117.565 -3.209 . . . . 0.0 111.381 -178.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.404 HG23 ' H ' ' A' ' 42' ' ' VAL . 4.6 t -23.54 -53.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.527 3.386 0 C-N-CA 129.351 3.06 . . . . 0.0 118.198 -173.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.67 -52.85 49.49 Favored Glycine 0 CA--C 1.469 -2.809 0 CA-C-O 116.653 -2.193 . . . . 0.0 113.428 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -69.86 -36.71 75.73 Favored 'General case' 0 C--N 1.401 2.823 0 C-N-CA 127.824 2.45 . . . . 0.0 110.024 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . 0.271 96.1 mt -51.79 -60.7 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.19 -2.067 0 O-C-N 119.522 -1.986 . . . . 0.0 113.23 175.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.0 m -55.92 -6.76 0.25 Allowed 'General case' 0 C--O 1.24 0.589 0 CA-C-N 111.519 -2.582 . . . . 0.0 115.519 -173.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -124.97 -34.51 2.78 Favored 'General case' 0 C--N 1.373 1.589 0 O-C-N 119.326 -2.109 . . . . 0.0 113.921 -176.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -79.56 -34.75 40.68 Favored 'General case' 0 C--O 1.254 1.294 0 C-N-CA 126.868 2.067 . . . . 0.0 112.05 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.0 mp -103.81 9.34 37.0 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 117.95 -1.024 . . . . 0.0 111.38 171.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.297 2.3 m120 41.64 64.35 1.07 Allowed 'General case' 0 C--N 1.309 -1.168 1 C-N-CA 134.965 5.306 . . . . 0.0 116.371 -174.686 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.2 mt -106.03 -125.18 0.23 Allowed 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 116.817 -1.563 . . . . 0.0 110.494 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.8 p -163.88 154.85 15.92 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 122.027 2.194 . . . . 0.0 107.16 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -69.3 -44.09 72.47 Favored 'General case' 0 C--N 1.364 1.23 0 O-C-N 119.662 -1.899 . . . . 0.0 112.767 -165.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . 0.321 0.8 OUTLIER -67.11 -29.24 68.93 Favored 'General case' 0 CA--C 1.561 1.401 0 O-C-N 128.313 3.508 . . . . 0.0 109.171 178.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -71.86 -38.93 69.99 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 121.84 2.109 . . . . 0.0 106.358 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.1 t -82.68 -31.51 9.47 Favored 'Isoleucine or valine' 0 C--O 1.253 1.242 0 CA-C-O 117.439 -1.267 . . . . 0.0 111.886 -175.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.5 m -62.34 8.13 0.05 Allowed 'General case' 0 C--N 1.283 -2.306 0 O-C-N 125.167 1.542 . . . . 0.0 112.764 171.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -128.36 -37.24 1.85 Allowed 'General case' 0 CA--C 1.593 2.604 0 C-N-CA 128.53 2.732 . . . . 0.0 109.832 175.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -89.67 -43.69 10.55 Favored 'General case' 0 CA--C 1.585 2.301 0 CA-C-O 115.939 -1.981 . . . . 0.0 108.296 -168.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 tp -46.62 -55.27 7.93 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-N 119.004 0.82 . . . . 0.0 112.038 158.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -62.46 -35.17 78.47 Favored 'General case' 0 N--CA 1.444 -0.771 0 O-C-N 118.703 -2.498 . . . . 0.0 113.365 -178.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.449 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -67.89 -54.94 14.93 Favored 'General case' 0 C--N 1.292 -1.894 0 CA-C-N 120.353 1.433 . . . . 0.0 112.732 174.824 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.449 ' N ' HD13 ' A' ' 62' ' ' LEU . 45.9 mt -53.8 -30.26 44.17 Favored 'General case' 0 CA--C 1.567 1.607 0 O-C-N 126.565 2.415 . . . . 0.0 112.572 -173.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -52.68 -43.23 65.44 Favored 'General case' 0 CA--C 1.484 -1.589 0 C-N-CA 130.726 3.611 . . . . 0.0 115.5 171.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.1 m -82.29 -13.96 56.15 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 125.963 1.705 . . . . 0.0 109.471 -173.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.3 m -115.16 20.02 6.95 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.691 0 CA-C-O 117.177 -1.392 . . . . 0.0 113.393 -177.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.404 16.4 p80 60.08 24.37 13.61 Favored 'General case' 0 C--O 1.258 1.55 0 C-N-CA 129.162 2.985 . . . . 0.0 118.316 166.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.9 mp -97.08 -13.68 22.05 Favored 'General case' 0 CA--C 1.575 1.938 0 O-C-N 119.372 -2.08 . . . . 0.0 111.037 167.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.2 t -133.55 149.38 30.99 Favored 'Isoleucine or valine' 0 CA--C 1.62 3.662 0 O-C-N 128.4 3.563 . . . . 0.0 113.78 -174.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -152.24 116.49 4.97 Favored 'General case' 0 C--N 1.365 1.262 1 O-C-N 129.198 4.061 . . . . 0.0 108.969 -172.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.637 ' HB2' ' CZ ' ' A' ' 80' ' ' TYR . . . -69.04 157.83 36.01 Favored 'General case' 0 N--CA 1.509 2.521 0 N-CA-C 117.07 2.248 . . . . 0.0 117.07 168.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -161.5 156.76 23.94 Favored 'General case' 0 C--O 1.2 -1.514 0 O-C-N 126.817 2.573 . . . . 0.0 114.046 168.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 . . . . . 0 C--O 1.21 -0.999 0 O-C-N 119.028 -2.295 . . . . 0.0 113.98 -174.01 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 97.7 mmm . . . . . 0 N--CA 1.522 3.134 0 N-CA-C 102.477 -3.157 . . . . 0.0 102.477 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.416 ' HA ' ' HB2' ' A' ' 41' ' ' SER 0.349 21.6 mm -91.99 138.96 18.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 C-N-CA 125.916 1.686 . . . . 0.0 110.634 -175.476 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.637 ' CZ ' ' HB2' ' A' ' 71' ' ' ALA . 15.0 m-85 -118.18 145.0 45.27 Favored 'General case' 0 N--CA 1.438 -1.026 1 O-C-N 114.286 -5.259 . . . . 0.0 112.069 -174.515 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . 0.256 26.1 m -130.85 169.41 15.79 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 130.229 3.412 . . . . 0.0 114.854 -177.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -55.24 147.32 16.84 Favored 'General case' 0 N--CA 1.52 3.051 0 C-N-CA 124.088 0.955 . . . . 0.0 108.965 154.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.27 -46.57 89.37 Favored 'General case' 0 N--CA 1.527 3.384 0 O-C-N 124.811 1.32 . . . . 0.0 110.408 174.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -158.14 165.13 35.74 Favored 'General case' 0 N--CA 1.412 -2.326 0 CA-C-N 121.941 2.155 . . . . 0.0 115.044 169.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.9 tp -46.52 -25.7 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.586 2.359 0 O-C-N 116.876 -3.64 . . . . 0.0 115.582 172.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -57.21 -52.87 63.58 Favored 'General case' 0 C--O 1.272 2.237 2 CA-C-N 128.027 4.921 . . . . 0.0 110.649 170.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.99 -32.61 52.08 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.288 0 CA-C-O 117.866 -1.064 . . . . 0.0 113.098 -178.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.51 -41.16 72.7 Favored 'General case' 0 CA--C 1.589 2.454 0 O-C-N 124.508 1.13 . . . . 0.0 112.283 168.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.1 m -71.36 -47.49 56.01 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 113.596 -1.638 . . . . 0.0 107.204 -169.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.417 ' HA ' ' HG2' ' B' ' 90' ' ' MET . 26.9 ttp -38.85 -51.73 1.74 Allowed 'General case' 0 C--O 1.197 -1.695 0 C-N-CA 126.164 1.786 . . . . 0.0 111.663 171.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 33' ' ' GLU . 6.0 tt -81.79 -34.36 30.38 Favored 'General case' 0 CA--C 1.484 -1.564 0 O-C-N 120.829 -1.169 . . . . 0.0 112.612 -173.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.7 tttp -69.81 -44.05 70.81 Favored 'General case' 0 C--O 1.191 -1.983 0 O-C-N 123.96 0.788 . . . . 0.0 110.688 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.413 ' HA ' ' HB2' ' A' ' 96' ' ' HIS . 94.2 mm-40 -72.58 -25.68 61.43 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 178.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.407 ' HB2' ' HG3' ' B' ' 90' ' ' MET . . . -74.39 -42.81 58.64 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-O 115.923 -1.989 . . . . 0.0 111.603 167.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.602 HD12 ' CG1' ' B' ' 16' ' ' VAL 0.304 0.4 OUTLIER -45.52 -19.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.903 0 CA-C-O 127.9 3.714 . . . . 0.0 116.77 157.87 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.413 ' HB2' ' HA ' ' A' ' 93' ' ' GLN . 40.7 m-70 -105.21 -12.69 15.98 Favored 'General case' 0 C--O 1.264 1.843 0 O-C-N 117.976 -2.952 . . . . 0.0 111.207 -174.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -92.62 -24.29 18.73 Favored 'General case' 0 C--O 1.253 1.265 0 CA-C-N 122.242 2.292 . . . . 0.0 108.804 167.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.35 -22.95 55.34 Favored 'General case' 0 C--O 1.247 0.957 0 O-C-N 119.16 -2.213 . . . . 0.0 116.339 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -150.37 155.87 40.44 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 125.62 1.825 . . . . 0.0 108.326 171.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -132.66 58.74 38.27 Favored Pre-proline 0 N--CA 1.503 2.214 0 O-C-N 126.839 2.587 . . . . 0.0 114.811 -175.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 C--N 1.394 2.96 0 N-CA-C 120.145 3.094 . . . . 0.0 120.145 -147.269 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 32.4 p . . . . . 0 CA--C 1.55 0.955 0 CA-C-O 117.135 -1.412 . . . . 0.0 114.628 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 48.69 -8.41 0.0 OUTLIER 'General case' 0 CA--C 1.566 1.568 0 C-N-CA 129.667 3.187 . . . . 0.0 115.83 -164.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.513 ' HB ' HG13 ' A' ' 95' ' ' ILE . 38.8 p -138.28 -76.02 0.38 Allowed 'General case' 0 N--CA 1.524 3.241 0 C-N-CA 130.361 3.464 . . . . 0.0 109.174 -152.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.465 HD22 HD11 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -54.31 -53.91 47.48 Favored 'General case' 0 N--CA 1.415 -2.193 0 CA-C-N 120.937 1.699 . . . . 0.0 115.429 177.258 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -71.15 14.72 0.14 Allowed 'General case' 0 N--CA 1.522 3.137 0 C-N-CA 117.625 -1.63 . . . . 0.0 113.452 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.66 -23.0 4.12 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 118.277 2.695 . . . . 0.0 118.277 164.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.602 ' CG1' HD12 ' A' ' 95' ' ' ILE . 20.9 m -80.83 -16.16 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.138 0 CA-C-N 120.87 1.668 . . . . 0.0 113.606 168.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 3.8 p -49.93 -42.38 48.26 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 125.17 1.388 . . . . 0.0 107.701 166.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -55.35 -44.72 76.22 Favored 'General case' 0 C--O 1.287 3.059 0 N-CA-C 117.752 2.501 . . . . 0.0 117.752 169.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 22.7 mt -77.84 -66.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.37 1.486 0 O-C-N 119.5 -2.0 . . . . 0.0 113.268 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-30 -51.02 -34.15 28.2 Favored 'General case' 0 N--CA 1.514 2.769 0 C-N-CA 128.037 2.535 . . . . 0.0 115.041 -167.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 29.9 pttt -77.75 -35.67 51.53 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 125.673 1.858 . . . . 0.0 113.899 175.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.78 3.46 19.45 Favored 'General case' 0 C--O 1.264 1.857 0 O-C-N 128.307 3.504 . . . . 0.0 119.715 -168.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 mt -81.64 -11.88 58.92 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 130.562 3.545 . . . . 0.0 111.46 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.94 24.04 0.25 Allowed Glycine 0 CA--C 1.548 2.151 1 N-CA-C 123.235 4.054 . . . . 0.0 123.235 -165.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -129.85 127.19 39.75 Favored 'General case' 0 CA--C 1.501 -0.907 0 C-N-CA 128.159 2.584 . . . . 0.0 106.895 171.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -65.32 -24.44 67.28 Favored 'General case' 0 N--CA 1.439 -1.021 0 O-C-N 124.792 1.307 . . . . 0.0 108.531 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.409 ' O ' HD12 ' B' ' 31' ' ' ILE . 51.4 m-80 -67.55 -44.51 78.1 Favored 'General case' 0 N--CA 1.503 2.192 1 O-C-N 116.182 -4.074 . . . . 0.0 109.399 -178.381 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -56.89 -31.22 64.65 Favored 'General case' 0 CA--C 1.511 -0.545 0 O-C-N 126.558 2.411 . . . . 0.0 110.991 178.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 33.7 mm -97.6 -38.55 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.555 0 CA-C-O 117.811 -1.09 . . . . 0.0 111.206 -167.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 26.7 ttt-85 -67.11 -24.24 65.91 Favored 'General case' 0 CA--C 1.599 2.846 0 CA-C-O 117.689 -1.148 . . . . 0.0 108.064 174.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.413 HG13 HD22 ' B' ' 49' ' ' LEU . 15.6 mt -67.76 -29.48 45.25 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.158 0 CA-C-O 113.664 -3.065 . . . . 0.0 112.0 167.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 75.2 mtm -101.78 -32.12 10.43 Favored 'General case' 0 C--O 1.187 -2.213 0 CA-C-N 124.079 3.127 . . . . 0.0 112.573 -171.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 0.46 ' N ' HD22 ' B' ' 91' ' ' LEU . 2.7 tm-20 -35.37 -56.63 0.63 Allowed 'General case' 1 N--CA 1.543 4.221 0 C-N-CA 125.2 1.4 . . . . 0.0 112.675 140.35 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.418 HD13 ' N ' ' B' ' 35' ' ' LEU 0.255 0.4 OUTLIER -68.76 -53.94 18.93 Favored 'General case' 0 C--O 1.25 1.115 0 O-C-N 119.83 -1.794 . . . . 0.0 113.788 177.371 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.418 ' N ' HD13 ' B' ' 34' ' ' LEU . 21.4 mt -59.11 -33.42 70.83 Favored 'General case' 0 C--O 1.257 1.488 0 O-C-N 116.997 -3.564 . . . . 0.0 114.805 -170.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 84.3 p -76.38 -9.39 58.61 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 108.638 -3.892 . . . . 0.0 113.063 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 m -111.53 -38.83 3.32 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 O-C-N 117.555 -3.216 . . . . 0.0 114.487 167.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 6.3 t -149.86 130.99 14.45 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 119.759 -1.838 . . . . 0.0 113.601 167.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -80.34 132.26 35.77 Favored 'General case' 0 N--CA 1.51 2.561 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 -169.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -135.23 152.07 51.2 Favored 'General case' 0 CA--C 1.555 1.141 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 171.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.542 ' HB2' ' HA ' ' B' ' 79' ' ' ILE . 23.5 t -92.54 152.83 19.41 Favored 'General case' 0 CA--C 1.48 -1.717 0 O-C-N 127.135 2.772 . . . . 0.0 112.825 168.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.404 HG13 ' HB ' ' B' ' 56' ' ' VAL . 2.7 t -17.63 -60.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.362 1.123 0 C-N-CA 126.775 2.03 . . . . 0.0 116.283 170.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.46 -43.15 66.38 Favored Glycine 0 CA--C 1.564 3.155 0 CA-C-O 122.364 0.98 . . . . 0.0 112.857 -176.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -89.09 -34.68 16.67 Favored 'General case' 0 C--O 1.191 -1.993 0 CA-C-O 114.4 -2.714 . . . . 0.0 106.708 -175.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.457 HG23 HD13 ' B' ' 49' ' ' LEU . 84.3 mt -53.85 -45.85 63.08 Favored 'Isoleucine or valine' 0 C--N 1.368 1.374 0 CA-C-N 121.002 1.728 . . . . 0.0 112.32 170.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 19.9 m -53.66 -32.86 53.21 Favored 'General case' 0 N--CA 1.405 -2.679 0 CA-C-O 115.123 -2.37 . . . . 0.0 110.893 176.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -83.94 -47.98 10.46 Favored 'General case' 0 N--CA 1.528 3.457 0 CA-C-O 113.51 -3.138 . . . . 0.0 113.112 166.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -71.18 -13.57 61.97 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 121.669 2.031 . . . . 0.0 113.55 -170.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.457 HD13 HG23 ' B' ' 45' ' ' ILE . 5.4 mp -128.4 15.45 6.61 Favored 'General case' 0 C--O 1.186 -2.25 0 O-C-N 116.785 -3.697 . . . . 0.0 115.014 170.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 27.2 m120 50.76 48.74 22.3 Favored 'General case' 0 CA--C 1.595 2.703 0 C-N-CA 127.843 2.457 . . . . 0.0 110.775 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 26.6 mt -101.25 149.75 23.68 Favored 'General case' 0 C--O 1.267 1.986 0 C-N-CA 125.967 1.707 . . . . 0.0 109.674 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 8.2 p -79.1 151.71 31.24 Favored 'General case' 0 C--N 1.301 -1.523 1 O-C-N 114.813 -4.929 . . . . 0.0 114.176 165.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . 0.294 22.2 tt0 -69.98 -38.85 76.14 Favored 'General case' 0 CA--C 1.595 2.71 0 C-N-CA 117.102 -1.839 . . . . 0.0 112.666 -166.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 19.9 m -63.9 -22.32 66.87 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -82.49 -52.84 6.48 Favored 'General case' 0 N--CA 1.511 2.582 0 C-N-CA 129.132 2.973 . . . . 0.0 110.261 171.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.404 ' HB ' HG13 ' B' ' 42' ' ' VAL . 47.1 t -64.66 -39.11 84.47 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.999 0 N-CA-C 116.726 2.121 . . . . 0.0 116.726 177.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 16.4 m -47.13 -4.06 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.75 0 C-N-CA 128.513 2.725 . . . . 0.0 113.459 164.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -120.41 -31.84 4.24 Favored 'General case' 0 C--N 1.411 3.248 0 CA-C-O 122.547 1.165 . . . . 0.0 111.471 173.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -94.33 -40.49 9.93 Favored 'General case' 0 CA--C 1.481 -1.691 0 CA-C-O 116.064 -1.922 . . . . 0.0 109.668 -164.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.439 ' HG ' ' CD2' ' B' ' 80' ' ' TYR . 10.3 tp -56.35 -31.34 63.67 Favored 'General case' 0 C--N 1.397 2.672 0 CA-C-O 113.053 -3.356 . . . . 0.0 110.994 161.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . 0.293 88.9 mttt -74.21 -45.22 49.61 Favored 'General case' 0 N--CA 1.417 -2.104 0 CA-C-N 123.45 2.841 . . . . 0.0 113.888 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.454 HD13 ' N ' ' B' ' 63' ' ' LEU . 0.6 OUTLIER -53.0 -50.7 63.65 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 115.653 -2.118 . . . . 0.0 113.257 165.742 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.454 ' N ' HD13 ' B' ' 62' ' ' LEU . 70.3 mt -59.64 -28.91 67.64 Favored 'General case' 0 N--CA 1.504 2.267 0 CA-C-N 122.96 2.618 . . . . 0.0 112.607 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -73.3 -48.61 33.11 Favored 'General case' 0 CA--C 1.56 1.347 0 CA-C-N 111.659 -2.519 . . . . 0.0 104.966 -176.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.4 m -63.8 -32.22 73.66 Favored 'General case' 0 N--CA 1.403 -2.793 0 C-N-CA 127.091 2.156 . . . . 0.0 113.446 177.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.51 HG23 HD12 ' B' ' 68' ' ' LEU . 29.7 m -96.24 8.24 6.87 Favored 'Isoleucine or valine' 1 N--CA 1.553 4.714 0 O-C-N 116.303 -3.998 . . . . 0.0 111.329 172.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 1.5 m170 65.48 16.26 10.43 Favored 'General case' 0 N--CA 1.515 2.809 0 C-N-CA 128.935 2.894 . . . . 0.0 114.742 165.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.51 HD12 HG23 ' B' ' 66' ' ' VAL . 1.9 mp -71.67 -20.34 61.96 Favored 'General case' 0 C--O 1.267 2.013 0 O-C-N 120.225 -1.547 . . . . 0.0 111.282 156.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 t -120.51 164.14 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.53 3.541 0 C-N-CA 126.016 1.726 . . . . 0.0 115.482 173.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -147.44 155.87 42.33 Favored 'General case' 0 C--O 1.265 1.891 0 C-N-CA 124.676 1.19 . . . . 0.0 111.657 156.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . 0.622 ' HB2' ' CE2' ' B' ' 80' ' ' TYR . . . -88.94 151.04 22.55 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.622 -1.172 . . . . 0.0 112.828 165.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 43.1 pttt . . . . . 0 CA--C 1.601 2.909 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 160.766 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 22.9 mtm . . . . . 0 N--CA 1.465 0.312 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.542 ' HA ' ' HB2' ' B' ' 41' ' ' SER . 35.1 mm -92.64 141.96 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 C-N-CA 124.615 1.166 . . . . 0.0 112.502 170.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . 0.622 ' CE2' ' HB2' ' B' ' 71' ' ' ALA . 59.6 m-85 -116.27 149.31 39.42 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -178.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 9.1 m -148.07 161.64 41.0 Favored 'General case' 0 N--CA 1.436 -1.15 0 O-C-N 126.192 2.183 . . . . 0.0 109.797 -165.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.444 HD22 ' HB2' ' B' ' 88' ' ' ALA . 7.6 mp -62.31 154.64 27.25 Favored 'General case' 0 C--N 1.361 1.099 0 O-C-N 120.292 -1.505 . . . . 0.0 113.212 159.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -70.25 -46.35 64.6 Favored 'General case' 0 N--CA 1.515 2.785 0 O-C-N 119.208 -2.182 . . . . 0.0 113.752 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 13.9 p30 -151.23 175.41 12.21 Favored 'General case' 0 CA--C 1.583 2.214 0 CA-C-O 124.763 2.22 . . . . 0.0 112.912 159.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . 0.331 1.6 pp -49.99 -13.46 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.205 1 N-CA-C 122.104 4.113 . . . . 0.0 122.104 169.973 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -66.68 -52.77 41.03 Favored 'General case' 0 N--CA 1.427 -1.583 1 O-C-N 114.336 -5.228 . . . . 0.0 109.977 -177.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.403 ' HA ' ' HB3' ' B' ' 90' ' ' MET . 3.5 m -85.84 -15.59 10.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 O-C-N 120.551 -1.343 . . . . 0.0 111.716 -176.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.444 ' HB2' HD22 ' B' ' 82' ' ' LEU . . . -66.55 -31.55 72.34 Favored 'General case' 0 C--O 1.194 -1.821 0 CA-C-O 123.343 1.544 . . . . 0.0 109.774 166.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 24.9 m -84.25 -41.45 16.9 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 114.485 -1.234 . . . . 0.0 108.728 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . 0.417 ' HG2' ' HA ' ' A' ' 90' ' ' MET . 16.9 tmm? -57.43 -46.65 83.32 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 168.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.46 HD22 ' N ' ' B' ' 33' ' ' GLU . 7.1 tt -67.13 -40.32 86.78 Favored 'General case' 0 N--CA 1.514 2.762 0 CA-C-O 117.107 -1.425 . . . . 0.0 109.17 176.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -67.36 -36.08 80.67 Favored 'General case' 0 CA--C 1.578 2.035 0 CA-C-N 122.304 2.32 . . . . 0.0 114.084 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.46 ' HA ' ' HB3' ' B' ' 96' ' ' HIS . 35.8 mm-40 -81.94 -14.61 55.84 Favored 'General case' 0 C--O 1.277 2.534 0 C-N-CA 125.38 1.472 . . . . 0.0 113.407 178.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.02 -52.93 14.61 Favored 'General case' 0 C--O 1.206 -1.217 0 CA-C-O 117.746 -1.121 . . . . 0.0 108.587 164.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -54.26 -34.39 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 CA-C-O 116.548 -1.691 . . . . 0.0 108.328 171.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . 0.46 ' HB3' ' HA ' ' B' ' 93' ' ' GLN 0.291 0.8 OUTLIER -68.62 -35.76 77.73 Favored 'General case' 0 N--CA 1.431 -1.377 0 C-N-CA 126.079 1.752 . . . . 0.0 113.808 -179.303 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -73.12 -9.54 58.83 Favored 'General case' 0 C--O 1.27 2.142 0 CA-C-O 115.306 -2.283 . . . . 0.0 115.343 163.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -100.65 6.13 43.99 Favored 'General case' 0 N--CA 1.427 -1.614 0 CA-C-N 121.914 2.143 . . . . 0.0 116.099 158.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . 0.266 58.6 t30 -134.09 71.97 1.46 Allowed 'General case' 0 CA--C 1.498 -1.022 0 CA-C-N 119.98 1.264 . . . . 0.0 109.068 -172.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 46.5 m170 . . . . . 0 C--N 1.309 -1.166 0 C-N-CA 127.449 2.299 . . . . 0.0 114.771 -178.003 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.501 2.094 0 CA-C-O 116.054 -1.927 . . . . 0.0 112.817 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.336 0.8 OUTLIER 63.29 -48.05 0.23 Allowed 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 128.55 2.74 . . . . 0.0 118.077 178.767 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.6 p -144.19 -27.92 0.51 Allowed 'General case' 0 C--N 1.288 -2.1 0 C-N-CA 129.392 3.077 . . . . 0.0 110.82 175.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -41.12 -28.47 0.09 Allowed 'General case' 0 N--CA 1.409 -2.514 2 O-C-N 113.881 -5.512 . . . . 0.0 115.128 -175.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.24 -14.4 59.77 Favored 'General case' 0 C--N 1.271 -2.844 1 CA-C-N 126.628 4.286 . . . . 0.0 113.192 -174.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -104.57 -5.26 21.65 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 112.386 -2.188 . . . . 0.0 112.76 166.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.8 t -83.53 -38.31 14.16 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.376 0 O-C-N 119.343 -2.098 . . . . 0.0 113.062 165.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.1 p -67.4 -22.73 65.53 Favored 'General case' 0 N--CA 1.525 3.283 0 O-C-N 117.891 -3.006 . . . . 0.0 108.376 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -66.82 -14.89 63.18 Favored 'General case' 0 C--O 1.254 1.318 0 C-N-CA 128.829 2.852 . . . . 0.0 111.47 172.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.33 0.6 OUTLIER -110.24 19.1 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.621 0 CA-C-N 124.917 3.508 . . . . 0.0 109.002 175.782 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -119.85 -34.96 3.61 Favored 'General case' 0 C--N 1.365 1.241 0 C-N-CA 127.838 2.455 . . . . 0.0 112.349 170.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -42.48 46.14 0.0 OUTLIER 'General case' 0 CA--C 1.588 2.427 0 C-N-CA 129.239 3.016 . . . . 0.0 112.394 141.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . 0.263 . . -177.11 -34.75 0.01 OUTLIER 'General case' 1 N--CA 1.54 4.029 0 C-N-CA 128.984 2.914 . . . . 0.0 111.988 -173.843 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.1 mt -81.2 -117.47 0.02 OUTLIER 'General case' 0 N--CA 1.422 -1.839 0 C-N-CA 126.803 2.041 . . . . 0.0 114.316 -176.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 42.81 -0.31 0.01 OUTLIER Glycine 0 N--CA 1.513 3.771 1 CA-C-O 112.273 -4.626 . . . . 0.0 122.435 -175.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -134.26 170.65 15.39 Favored 'General case' 0 CA--C 1.58 2.111 1 CA-C-N 125.26 4.53 . . . . 0.0 109.674 -169.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -95.26 -83.87 0.35 Allowed 'General case' 0 C--O 1.198 -1.607 0 O-C-N 119.483 -2.01 . . . . 0.0 109.186 -166.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -59.64 -43.25 93.95 Favored 'General case' 0 C--O 1.287 3.036 0 O-C-N 118.708 -2.495 . . . . 0.0 110.443 -166.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -30.34 -47.29 0.08 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 126.564 2.415 . . . . 0.0 113.682 162.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.3 pt -106.57 -6.01 10.2 Favored 'Isoleucine or valine' 0 C--O 1.276 2.478 1 O-C-N 115.655 -4.403 . . . . 0.0 109.874 -178.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.7 ttp85 -60.47 -22.9 64.02 Favored 'General case' 0 C--N 1.371 1.513 0 N-CA-C 115.467 1.655 . . . . 0.0 115.467 156.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.8 mt -64.72 -51.62 64.92 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.713 1 C-N-CA 132.463 4.305 . . . . 0.0 107.044 164.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 79.0 mtp -85.62 -41.28 15.36 Favored 'General case' 0 CA--C 1.575 1.911 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.127 -156.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.5 ' HA ' HD22 ' A' ' 91' ' ' LEU . 3.9 tm-20 -24.56 -58.85 0.05 Allowed 'General case' 0 C--N 1.394 2.539 0 C-N-CA 128.96 2.904 . . . . 0.0 110.463 144.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.482 ' HG ' HD11 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -71.32 -40.85 70.53 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 117.87 -3.018 . . . . 0.0 110.052 -173.012 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.439 ' N ' HD13 ' A' ' 34' ' ' LEU 0.252 79.9 mt -73.26 -21.91 60.51 Favored 'General case' 0 C--O 1.188 -2.134 0 O-C-N 120.041 -1.662 . . . . 0.0 113.817 -179.51 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.385 7.5 m -64.64 -4.01 3.75 Favored 'General case' 0 C--N 1.284 -2.244 1 C-N-CA 133.597 4.759 . . . . 0.0 114.211 167.212 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.0 m -128.01 -42.97 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.376 1.745 0 C-N-CA 127.426 2.29 . . . . 0.0 115.509 157.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.1 m -145.5 89.49 1.93 Allowed 'General case' 0 C--N 1.274 -2.691 0 N-CA-C 117.278 2.325 . . . . 0.0 117.278 -166.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -72.49 132.51 43.94 Favored 'General case' 0 N--CA 1.521 3.094 0 N-CA-C 116.814 2.153 . . . . 0.0 116.814 -169.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.8 -174.16 3.7 Favored 'General case' 0 N--CA 1.51 2.555 0 O-C-N 118.926 -2.359 . . . . 0.0 113.601 -169.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 t -109.57 149.7 29.26 Favored 'General case' 0 C--O 1.214 -0.809 1 C-N-CA 132.183 4.193 . . . . 0.0 112.674 166.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.6 t -11.58 -53.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 C-N-CA 130.625 3.57 . . . . 0.0 113.47 168.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.38 -28.73 18.92 Favored Glycine 0 N--CA 1.497 2.737 0 CA-C-N 120.286 1.403 . . . . 0.0 113.671 -164.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -81.25 -34.95 31.79 Favored 'General case' 0 C--O 1.2 -1.552 0 O-C-N 117.4 -3.412 . . . . 0.0 105.972 170.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.9 mt -52.41 -60.58 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.529 3.476 0 O-C-N 125.14 1.525 . . . . 0.0 108.659 167.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.9 m -62.49 -13.13 27.07 Favored 'General case' 0 C--O 1.279 2.626 0 N-CA-C 116.658 2.095 . . . . 0.0 116.658 -173.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -92.33 -54.89 3.62 Favored 'General case' 0 N--CA 1.426 -1.672 0 C-N-CA 128.946 2.898 . . . . 0.0 112.08 174.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -74.96 -16.75 60.63 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 115.746 -2.074 . . . . 0.0 112.905 -176.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.482 HD11 ' HG ' ' A' ' 34' ' ' LEU . 5.3 mp -104.92 -7.35 19.38 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 114.8 -2.524 . . . . 0.0 116.621 169.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.285 32.6 m120 63.21 50.3 3.05 Favored 'General case' 0 C--N 1.294 -1.846 0 C-N-CA 130.694 3.598 . . . . 0.0 111.907 175.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 48.4 mt -104.38 -122.06 0.21 Allowed 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 103.691 -2.707 . . . . 0.0 103.691 -173.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.2 p -167.61 151.41 6.37 Favored 'General case' 0 C--O 1.263 1.793 0 CA-C-N 122.099 2.227 . . . . 0.0 106.578 -177.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -60.13 -42.85 95.69 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 115.02 -2.419 . . . . 0.0 112.332 -168.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.7 m -69.42 -35.12 75.42 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-N 122.989 2.631 . . . . 0.0 111.775 -171.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -71.43 -43.9 65.87 Favored 'General case' 0 CA--C 1.557 1.215 0 CA-C-O 124.888 2.28 . . . . 0.0 112.707 -166.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . 0.251 60.7 t -72.09 -39.84 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.417 0 O-C-N 117.851 -3.03 . . . . 0.0 109.94 174.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.3 m -57.7 1.64 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.23 -2.169 . . . . 0.0 113.974 168.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -121.64 -35.47 3.22 Favored 'General case' 0 N--CA 1.508 2.442 0 O-C-N 119.145 -2.222 . . . . 0.0 112.562 169.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -82.74 -40.69 20.2 Favored 'General case' 0 C--N 1.395 2.576 0 O-C-N 120.278 -1.514 . . . . 0.0 109.779 -176.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.425 HD21 ' CD1' ' A' ' 80' ' ' TYR . 9.4 tp -55.32 -46.86 76.28 Favored 'General case' 0 C--O 1.194 -1.832 0 CA-C-O 116.282 -1.818 . . . . 0.0 111.911 169.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -64.07 -43.11 96.44 Favored 'General case' 0 C--N 1.369 1.428 1 C-N-CA 131.778 4.031 . . . . 0.0 109.871 -178.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.14 -62.91 1.35 Allowed 'General case' 0 C--O 1.205 -1.244 0 CA-C-O 117.609 -1.186 . . . . 0.0 108.966 165.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.436 ' HA ' HG22 ' A' ' 66' ' ' VAL . 27.6 mt -52.17 -42.79 63.74 Favored 'General case' 0 N--CA 1.502 2.156 0 CA-C-N 123.204 2.729 . . . . 0.0 112.733 -173.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -53.64 -58.5 6.96 Favored 'General case' 0 N--CA 1.501 2.123 1 CA-C-N 106.735 -4.757 . . . . 0.0 105.444 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.3 m -69.64 -7.53 39.74 Favored 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 127.525 2.33 . . . . 0.0 112.665 -174.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' ' 63' ' ' LEU 0.343 16.4 m -108.39 8.55 9.27 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.214 0 CA-C-O 113.772 -3.013 . . . . 0.0 115.96 178.564 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.374 8.9 p80 65.46 18.68 11.38 Favored 'General case' 0 CA--C 1.565 1.534 0 O-C-N 127.686 3.116 . . . . 0.0 118.003 176.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 mp -99.44 -16.69 18.27 Favored 'General case' 0 CA--C 1.605 3.067 0 CA-C-N 120.279 1.4 . . . . 0.0 110.367 168.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 t -119.97 160.23 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 128.925 2.89 . . . . 0.0 108.438 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -160.46 127.89 4.42 Favored 'General case' 0 CA--C 1.56 1.343 0 CA-C-O 122.395 1.093 . . . . 0.0 111.837 173.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.46 146.54 48.55 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 126.141 2.877 . . . . 0.0 109.578 170.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -130.95 151.94 50.81 Favored 'General case' 0 C--N 1.382 1.995 0 CA-C-N 111.073 -2.785 . . . . 0.0 106.439 158.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 . . . . . 0 C--O 1.194 -1.849 0 CA-C-O 115.396 -2.24 . . . . 0.0 110.098 170.597 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 19.7 mmt . . . . . 0 N--CA 1.402 -2.859 0 CA-C-O 122.475 1.131 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.7 mm -102.83 126.26 57.08 Favored 'Isoleucine or valine' 0 C--O 1.26 1.611 0 C-N-CA 129.789 3.235 . . . . 0.0 108.852 175.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.425 ' CD1' HD21 ' A' ' 60' ' ' LEU . 73.3 m-85 -108.04 132.41 53.57 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 126.329 1.852 . . . . 0.0 109.251 -173.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.1 m -144.06 173.96 11.28 Favored 'General case' 0 C--N 1.286 -2.157 0 CA-C-N 112.195 -2.275 . . . . 0.0 107.101 -175.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.04 150.46 45.32 Favored 'General case' 0 C--N 1.38 1.904 1 CA-C-O 128.634 4.064 . . . . 0.0 113.442 165.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -54.6 -40.35 68.76 Favored 'General case' 0 N--CA 1.412 -2.372 0 O-C-N 118.308 -2.745 . . . . 0.0 117.422 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.6 p30 -165.95 -179.93 5.5 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 129.074 2.95 . . . . 0.0 112.051 172.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.6 tp -65.46 -17.75 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.396 -3.157 0 CA-C-N 111.921 -2.399 . . . . 0.0 113.545 -170.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -71.38 -47.03 58.77 Favored 'General case' 0 CA--C 1.454 -2.741 0 O-C-N 120.987 -1.071 . . . . 0.0 111.607 173.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . 0.347 1.6 p -77.14 -34.12 21.11 Favored 'Isoleucine or valine' 0 C--O 1.26 1.611 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -177.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . 0.279 . . -59.31 -38.57 80.61 Favored 'General case' 0 C--O 1.19 -2.065 0 C-N-CA 123.876 0.87 . . . . 0.0 112.389 162.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 68.0 m -70.46 -34.75 72.77 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 175.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.2 ttt -61.15 -51.78 67.63 Favored 'General case' 0 C--O 1.263 1.777 0 C-N-CA 125.534 1.534 . . . . 0.0 111.614 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.5 HD22 ' HA ' ' A' ' 33' ' ' GLU . 4.5 tt -75.63 -42.06 52.59 Favored 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 114.268 -1.333 . . . . 0.0 111.774 -178.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . 0.302 17.2 tttp -57.79 -41.53 82.3 Favored 'General case' 0 N--CA 1.508 2.442 0 C-N-CA 124.241 1.017 . . . . 0.0 110.187 175.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -77.24 -16.68 58.93 Favored 'General case' 0 N--CA 1.504 2.264 0 CA-C-N 121.272 1.851 . . . . 0.0 114.333 175.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -78.58 -41.92 30.55 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 118.913 -1.115 . . . . 0.0 109.679 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.448 ' HA ' HD12 ' A' ' 95' ' ' ILE . 0.3 OUTLIER -57.05 -9.56 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.516 2.843 0 O-C-N 126.953 2.658 . . . . 0.0 110.958 170.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -113.13 7.33 17.91 Favored 'General case' 0 N--CA 1.422 -1.832 0 C-N-CA 129.984 3.314 . . . . 0.0 118.131 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -115.23 -8.63 12.33 Favored 'General case' 0 C--O 1.188 -2.137 0 CA-C-O 116.212 -1.852 . . . . 0.0 113.898 158.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . 0.439 . . -55.84 -37.64 68.99 Favored 'General case' 0 C--O 1.262 1.738 0 O-C-N 127.601 3.063 . . . . 0.0 118.02 169.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.691 HD21 HG22 ' B' ' 12' ' ' THR . 5.9 p30 -135.23 166.15 23.76 Favored 'General case' 0 C--N 1.292 -1.92 0 C-N-CA 129.687 3.195 . . . . 0.0 109.803 170.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -147.69 62.28 6.82 Favored Pre-proline 0 CA--C 1.574 1.884 0 O-C-N 125.853 1.971 . . . . 0.0 108.86 174.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo . . . . . 0 CA--C 1.563 1.972 1 C-N-CA 125.51 4.14 . . . . 0.0 112.377 -165.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 56.7 p . . . . . 0 C--O 1.265 1.898 0 CA-C-O 117.442 -1.266 . . . . 0.0 114.214 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 51.24 -5.71 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.121 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 -162.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.691 HG22 HD21 ' A' ' 99' ' ' ASN . 28.5 p -134.53 -78.13 0.46 Allowed 'General case' 0 CA--C 1.591 2.551 1 O-C-N 115.18 -4.7 . . . . 0.0 109.758 -160.03 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.68 -44.88 18.98 Favored 'General case' 0 CA--C 1.469 -2.168 1 CA-C-O 111.17 -4.252 . . . . 0.0 113.294 169.861 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -82.2 4.03 25.02 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 123.566 2.894 . . . . 0.0 109.323 -171.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -123.59 -8.41 7.97 Favored 'General case' 0 C--O 1.267 1.995 0 C-N-CA 130.179 3.391 . . . . 0.0 114.168 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.581 HG12 HD12 ' B' ' 19' ' ' ILE 0.443 6.2 m -100.65 -16.23 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.341 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 164.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . 0.319 0.9 OUTLIER -56.38 -43.63 79.41 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 118.249 -1.381 . . . . 0.0 107.7 168.529 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -45.54 -39.0 6.94 Favored 'General case' 0 N--CA 1.534 3.759 0 CA-C-N 112.982 -1.917 . . . . 0.0 112.649 168.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.581 HD12 HG12 ' B' ' 16' ' ' VAL . 22.1 mt -88.83 -55.93 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.147 0 CA-C-O 124.943 2.306 . . . . 0.0 115.177 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -66.04 -6.46 13.02 Favored 'General case' 0 C--O 1.202 -1.427 0 C-N-CA 127.59 2.356 . . . . 0.0 115.434 -169.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -99.37 -23.18 15.24 Favored 'General case' 0 N--CA 1.517 2.92 0 N-CA-C 116.527 2.047 . . . . 0.0 116.527 160.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.75 -11.51 47.91 Favored 'General case' 0 C--O 1.249 1.042 0 CA-C-N 120.007 1.276 . . . . 0.0 112.102 -171.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 62.3 mt -63.76 -20.99 66.19 Favored 'General case' 0 CA--C 1.594 2.646 0 C-N-CA 128.904 2.882 . . . . 0.0 113.937 168.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.9 37.36 0.09 OUTLIER Glycine 0 C--O 1.169 -3.922 0 N-CA-C 121.384 3.313 . . . . 0.0 121.384 -172.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -149.47 122.07 8.58 Favored 'General case' 0 C--O 1.251 1.158 0 CA-C-O 117.663 -1.16 . . . . 0.0 107.985 171.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . 0.274 1.1 p90 -52.37 -38.8 59.72 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 124.563 1.164 . . . . 0.0 113.079 -170.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -55.32 -47.9 74.94 Favored 'General case' 0 C--O 1.275 2.418 0 CA-C-N 112.251 -2.249 . . . . 0.0 114.442 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -53.11 -41.43 64.99 Favored 'General case' 0 C--O 1.186 -2.267 0 C-N-CA 129.742 3.217 . . . . 0.0 111.045 175.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 43.0 mm -83.57 -41.54 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.561 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 -168.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -56.42 -30.71 63.13 Favored 'General case' 0 C--N 1.357 0.92 0 N-CA-C 116.118 1.896 . . . . 0.0 116.118 165.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.472 HG12 HD13 ' B' ' 49' ' ' LEU . 32.7 mt -71.08 -48.4 55.6 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.798 0 O-C-N 124.398 1.061 . . . . 0.0 109.287 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . 0.41 ' HB2' ' CD1' ' B' ' 91' ' ' LEU . 60.2 mtm -90.95 -36.93 13.82 Favored 'General case' 0 CA--C 1.559 1.295 0 O-C-N 119.314 -2.116 . . . . 0.0 116.173 -174.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -35.16 -41.67 0.16 Allowed 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 112.576 -3.583 . . . . 0.0 110.919 141.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.549 HD13 ' N ' ' B' ' 35' ' ' LEU 0.384 0.4 OUTLIER -75.03 -52.35 11.29 Favored 'General case' 0 CA--C 1.629 3.987 0 CA-C-O 127.943 3.735 . . . . 0.0 117.641 177.074 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.549 ' N ' HD13 ' B' ' 34' ' ' LEU . 58.5 mt -65.31 -27.59 68.72 Favored 'General case' 0 CA--C 1.556 1.184 0 O-C-N 118.675 -2.515 . . . . 0.0 109.801 -169.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . 0.451 ' OG ' ' HE2' ' B' ' 92' ' ' LYS . 57.2 p -62.75 -0.73 0.69 Allowed 'General case' 0 N--CA 1.51 2.559 0 CA-C-N 111.529 -2.578 . . . . 0.0 117.728 170.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 m -134.97 -33.33 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 CA-C-N 112.836 -1.983 . . . . 0.0 111.46 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 10.6 t -157.18 120.49 4.1 Favored 'General case' 0 CA--C 1.575 1.909 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 167.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . 0.267 56.4 mt-10 -68.03 146.16 53.78 Favored 'General case' 0 N--CA 1.505 2.321 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -169.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -156.76 135.47 11.63 Favored 'General case' 0 CA--C 1.573 1.859 0 O-C-N 124.766 1.291 . . . . 0.0 111.56 -175.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.421 ' HB2' ' HA ' ' B' ' 79' ' ' ILE . 35.1 t -94.51 156.3 16.52 Favored 'General case' 0 CA--C 1.567 1.623 0 C-N-CA 128.013 2.525 . . . . 0.0 110.964 175.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.431 HG22 HG12 ' B' ' 56' ' ' VAL 0.326 37.1 t -9.82 -72.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.397 2.667 0 N-CA-C 118.446 2.758 . . . . 0.0 118.446 178.173 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.98 -30.99 76.78 Favored Glycine 0 N--CA 1.478 1.475 0 O-C-N 125.984 2.052 . . . . 0.0 114.596 -170.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -81.22 -43.17 19.65 Favored 'General case' 0 CA--C 1.569 1.687 0 C-N-CA 125.977 1.711 . . . . 0.0 110.794 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.418 HD13 HG21 ' B' ' 45' ' ' ILE . 96.2 mt -50.53 -51.38 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.026 0 CA-C-O 114.327 -2.749 . . . . 0.0 111.075 161.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 16.1 m -51.78 -38.33 55.09 Favored 'General case' 0 CA--C 1.581 2.148 0 C-N-CA 127.959 2.504 . . . . 0.0 109.56 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -70.82 -49.95 40.81 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 114.73 -2.557 . . . . 0.0 111.53 174.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -80.39 -20.48 43.9 Favored 'General case' 0 C--O 1.167 -3.247 0 O-C-N 128.085 3.365 . . . . 0.0 117.909 -169.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.472 HD13 HG12 ' B' ' 31' ' ' ILE . 4.1 mt -111.27 -0.12 16.53 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 112.898 -1.955 . . . . 0.0 113.952 -178.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 15.6 m120 54.14 43.06 31.22 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 130.38 3.472 . . . . 0.0 113.079 -175.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 mt -106.4 158.47 16.87 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 118.029 -2.919 . . . . 0.0 108.461 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 1.9 p -79.27 148.8 32.03 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 120.244 3.424 . . . . 0.0 120.244 171.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -55.75 -31.86 62.92 Favored 'General case' 0 C--N 1.375 1.677 0 CA-C-O 124.126 1.917 . . . . 0.0 110.356 -177.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 53.3 m -74.07 -46.44 43.07 Favored 'General case' 0 C--O 1.269 2.114 0 O-C-N 117.596 -3.19 . . . . 0.0 110.682 -174.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -69.48 -36.69 76.79 Favored 'General case' 0 N--CA 1.521 3.078 0 O-C-N 126.826 2.579 . . . . 0.0 111.771 175.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.431 HG12 HG22 ' B' ' 42' ' ' VAL . 65.9 t -75.27 -46.41 38.64 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.96 0 O-C-N 117.434 -3.291 . . . . 0.0 109.791 177.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.6 m -43.55 -15.41 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 118.429 2.751 . . . . 0.0 118.429 163.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -100.6 -44.39 5.86 Favored 'General case' 0 CA--C 1.508 -0.659 0 C-N-CA 129.329 3.052 . . . . 0.0 113.313 167.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -86.43 -35.91 19.41 Favored 'General case' 0 N--CA 1.409 -2.496 0 CA-C-N 121.655 2.025 . . . . 0.0 115.736 -164.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' B' ' 60' ' ' LEU . 12.5 tp -56.64 -45.04 81.82 Favored 'General case' 0 CA--C 1.595 2.695 0 C-N-CA 126.482 1.913 . . . . 0.0 107.907 167.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . 0.275 32.4 mttt -70.05 -40.93 74.8 Favored 'General case' 0 N--CA 1.512 2.633 0 C-N-CA 128.395 2.678 . . . . 0.0 109.963 -175.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -50.51 -55.11 17.51 Favored 'General case' 0 C--O 1.284 2.896 0 CA-C-O 123.477 1.608 . . . . 0.0 112.856 163.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.83 -34.85 77.53 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 117.359 -3.338 . . . . 0.0 114.256 -165.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -47.51 -51.54 20.28 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 126.194 2.902 . . . . 0.0 108.476 170.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 13.0 m -75.61 -2.09 27.62 Favored 'General case' 0 C--O 1.254 1.32 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 -178.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . 0.376 27.4 m -112.21 15.92 8.17 Favored 'Isoleucine or valine' 0 C--O 1.272 2.255 0 O-C-N 120.267 -1.521 . . . . 0.0 114.136 162.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 7.2 m80 46.96 22.17 0.19 Allowed 'General case' 0 CA--C 1.571 1.774 0 C-N-CA 127.204 2.202 . . . . 0.0 114.913 -178.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 mp -69.69 -22.22 63.44 Favored 'General case' 0 N--CA 1.508 2.445 0 O-C-N 116.419 -3.925 . . . . 0.0 106.794 161.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.0 t -133.25 153.75 37.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 C-N-CA 130.999 3.72 . . . . 0.0 114.377 -167.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -149.54 146.13 27.2 Favored 'General case' 0 N--CA 1.422 -1.849 1 CA-C-O 128.857 4.17 . . . . 0.0 107.783 170.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . 0.551 ' HB2' ' CE2' ' B' ' 80' ' ' TYR . . . -91.78 144.21 25.74 Favored 'General case' 0 C--O 1.269 2.116 0 CA-C-N 108.771 -3.831 . . . . 0.0 112.952 164.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 45.6 pttt . . . . . 0 N--CA 1.51 2.54 0 C-N-CA 129.541 3.136 . . . . 0.0 108.113 170.39 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 45.0 mtm . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 116.667 -1.635 . . . . 0.0 109.921 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.421 ' HA ' ' HB2' ' B' ' 41' ' ' SER . 27.2 mm -85.98 140.34 16.04 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.87 0 O-C-N 127.575 3.047 . . . . 0.0 106.052 166.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . 0.551 ' CE2' ' HB2' ' B' ' 71' ' ' ALA . 37.6 m-85 -119.6 143.02 47.88 Favored 'General case' 0 N--CA 1.416 -2.132 0 CA-C-O 122.201 1.0 . . . . 0.0 112.959 -173.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 74.5 m -132.14 166.12 22.52 Favored 'General case' 0 C--O 1.284 2.902 1 C-N-CA 133.004 4.521 . . . . 0.0 109.108 -170.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.08 149.24 37.73 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 119.643 3.201 . . . . 0.0 119.643 143.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -72.18 -55.84 6.57 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-N 121.604 2.002 . . . . 0.0 110.565 -168.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -140.95 -170.48 3.05 Favored 'General case' 0 CA--C 1.493 -1.22 0 CA-C-O 123.631 1.681 . . . . 0.0 112.87 156.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -17.48 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.349 0 N-CA-C 117.35 2.352 . . . . 0.0 117.35 -176.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -64.84 -55.22 20.82 Favored 'General case' 0 N--CA 1.517 2.916 0 C-N-CA 129.089 2.955 . . . . 0.0 108.129 -177.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 m -88.12 -19.82 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -167.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.27 -24.8 66.63 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 118.108 2.632 . . . . 0.0 118.108 159.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 44.7 m -82.95 -52.23 6.87 Favored 'General case' 0 N--CA 1.502 2.165 0 N-CA-C 100.625 -3.843 . . . . 0.0 100.625 177.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 12.9 tmm? -52.81 -55.23 24.47 Favored 'General case' 0 C--O 1.17 -3.094 0 CA-C-N 119.882 1.219 . . . . 0.0 113.365 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.41 ' CD1' ' HB2' ' B' ' 32' ' ' MET . 6.3 tt -57.95 -44.24 86.85 Favored 'General case' 0 C--O 1.192 -1.942 0 CA-C-O 114.535 -2.65 . . . . 0.0 115.83 175.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.451 ' HE2' ' OG ' ' B' ' 36' ' ' SER . 72.3 mttt -67.99 -33.91 75.52 Favored 'General case' 0 C--N 1.373 1.595 0 CA-C-N 122.164 2.256 . . . . 0.0 108.69 -178.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -71.67 -15.6 62.23 Favored 'General case' 1 N--CA 1.547 4.42 0 C-N-CA 129.038 2.935 . . . . 0.0 110.282 174.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.06 -33.89 19.36 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-O 122.46 1.124 . . . . 0.0 114.028 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 3.6 mm -59.26 -48.63 86.3 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 C-N-CA 126.108 1.763 . . . . 0.0 114.256 157.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -75.53 -25.61 57.35 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 119.519 -1.988 . . . . 0.0 114.729 -172.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -67.03 -7.76 25.14 Favored 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 162.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -102.55 -27.63 12.65 Favored 'General case' 0 CA--C 1.588 2.429 0 O-C-N 116.908 -3.62 . . . . 0.0 111.861 173.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -111.91 86.97 2.45 Favored 'General case' 0 N--CA 1.506 2.328 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 166.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 34.4 m170 . . . . . 0 CA--C 1.549 0.917 0 O-C-N 124.573 1.17 . . . . 0.0 113.75 162.224 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.513 2.697 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.25 9.2 m-20 61.25 -55.27 0.1 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.197 2.199 . . . . 0.0 110.677 176.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.8 p -132.79 -22.99 2.06 Favored 'General case' 0 C--N 1.288 -2.09 0 C-N-CA 128.468 2.707 . . . . 0.0 112.785 -171.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.07 -28.26 63.21 Favored 'General case' 0 N--CA 1.51 2.569 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -164.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -67.51 -21.01 65.51 Favored 'General case' 0 C--N 1.374 1.662 0 O-C-N 116.615 -3.803 . . . . 0.0 112.617 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.276 15.2 ttm180 -100.63 -1.83 34.3 Favored 'General case' 0 N--CA 1.512 2.646 0 N-CA-C 120.331 3.456 . . . . 0.0 120.331 166.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.476 HG12 ' CZ ' ' A' ' 20' ' ' PHE . 2.4 t -82.88 -42.03 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.324 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 156.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.1 p -63.35 -25.2 68.18 Favored 'General case' 0 C--N 1.381 1.976 1 O-C-N 115.663 -4.398 . . . . 0.0 118.3 171.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -56.38 -29.67 61.73 Favored 'General case' 0 CA--C 1.582 2.189 0 C-N-CA 127.486 2.314 . . . . 0.0 112.608 165.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.9 pp -104.38 5.64 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.535 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.386 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.476 ' CZ ' HG12 ' A' ' 16' ' ' VAL . 11.7 m-85 -92.54 -33.99 14.24 Favored 'General case' 0 C--N 1.363 1.193 0 N-CA-C 119.967 3.321 . . . . 0.0 119.967 151.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -64.28 52.25 0.02 OUTLIER 'General case' 0 C--O 1.286 2.983 0 C-N-CA 128.259 2.624 . . . . 0.0 111.399 153.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.452 ' H ' ' C ' ' A' ' 20' ' ' PHE . . . -167.87 -30.7 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 CA-C-N 110.084 -3.234 . . . . 0.0 108.715 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.3 mt -82.23 -129.14 0.02 OUTLIER 'General case' 0 CA--C 1.59 2.484 0 C-N-CA 126.271 1.828 . . . . 0.0 111.229 176.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 57.99 13.69 14.81 Favored Glycine 0 CA--C 1.561 2.949 0 C-N-CA 128.301 2.858 . . . . 0.0 120.165 177.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -142.55 165.81 26.38 Favored 'General case' 0 C--O 1.268 2.056 0 O-C-N 119.722 -2.046 . . . . 0.0 111.066 175.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -80.21 -83.25 0.1 Allowed 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 118.355 2.724 . . . . 0.0 118.355 -176.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -55.68 -45.41 77.77 Favored 'General case' 0 C--O 1.263 1.791 0 O-C-N 118.727 -2.483 . . . . 0.0 106.285 -172.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -39.66 -23.78 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.761 0 C-N-CA 128.366 2.666 . . . . 0.0 113.718 170.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.51 HD11 HG23 ' B' ' 16' ' ' VAL 0.42 0.7 OUTLIER -114.0 -11.71 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.24 0 CA-C-O 113.265 -3.255 . . . . 0.0 119.174 170.456 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.2 ttp85 -67.7 -23.14 65.25 Favored 'General case' 0 CA--C 1.481 -1.675 0 C-N-CA 127.998 2.519 . . . . 0.0 111.153 157.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.0 mt -62.14 -57.15 13.38 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.831 0 CA-C-N 119.688 1.131 . . . . 0.0 111.344 164.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.425 ' CB ' HD13 ' A' ' 91' ' ' LEU . 61.2 mtp -81.18 -39.72 25.02 Favored 'General case' 0 C--O 1.185 -2.32 1 CA-C-O 111.236 -4.221 . . . . 0.0 109.638 -156.128 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.443 ' HG3' HD23 ' B' ' 13' ' ' LEU . 0.0 OUTLIER -10.54 -59.98 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.908 0 N-CA-C 120.75 3.611 . . . . 0.0 120.75 135.282 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.438 HD13 ' C ' ' A' ' 34' ' ' LEU 0.257 1.2 tm? -78.73 -55.25 5.32 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 117.824 -3.047 . . . . 0.0 109.245 -170.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.3 mt -45.44 -27.99 0.81 Allowed 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 127.582 2.353 . . . . 0.0 115.758 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.3 m -83.08 -10.9 58.46 Favored 'General case' 0 CA--C 1.587 2.367 0 C-N-CA 128.022 2.529 . . . . 0.0 111.223 -175.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.7 m -128.55 -29.82 0.87 Allowed 'Isoleucine or valine' 0 C--O 1.186 -2.253 0 C-N-CA 127.204 2.202 . . . . 0.0 113.073 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.9 m -154.66 101.87 2.35 Favored 'General case' 0 CA--C 1.594 2.659 0 O-C-N 119.511 -1.993 . . . . 0.0 114.561 159.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -32.6 124.69 0.33 Allowed 'General case' 0 N--CA 1.533 3.7 0 C-N-CA 129.819 3.247 . . . . 0.0 111.059 172.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -135.69 144.71 46.12 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 112.192 -2.276 . . . . 0.0 113.455 173.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.6 t -102.32 161.38 13.75 Favored 'General case' 0 N--CA 1.516 2.85 0 O-C-N 118.372 -2.705 . . . . 0.0 107.985 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.418 HG23 HD23 ' A' ' 60' ' ' LEU . 55.5 t -20.88 -66.85 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.521 3.075 0 CA-C-O 113.855 -2.974 . . . . 0.0 113.923 174.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.63 -42.33 95.53 Favored Glycine 0 C--O 1.272 2.488 1 O-C-N 129.679 4.362 . . . . 0.0 111.415 -169.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -74.76 -27.31 60.29 Favored 'General case' 0 C--N 1.386 2.188 0 CA-C-O 116.31 -1.805 . . . . 0.0 111.62 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.51 HG23 HD13 ' A' ' 49' ' ' LEU . 69.0 mt -63.0 -56.42 17.57 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.389 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 174.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 m -43.04 -42.4 3.87 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.293 -1.504 . . . . 0.0 113.847 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -67.03 -68.55 0.37 Allowed 'General case' 0 C--O 1.268 2.043 0 O-C-N 124.674 1.234 . . . . 0.0 113.142 167.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -67.02 -22.7 65.88 Favored 'General case' 0 N--CA 1.516 2.862 0 O-C-N 118.901 -2.374 . . . . 0.0 109.635 -163.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.51 HD13 HG23 ' A' ' 45' ' ' ILE . 5.2 mp -109.08 5.15 23.81 Favored 'General case' 0 N--CA 1.393 -3.314 0 CA-C-N 121.9 2.136 . . . . 0.0 111.564 178.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.264 5.6 m120 44.6 55.25 5.95 Favored 'General case' 0 CA--C 1.61 3.255 0 O-C-N 125.299 1.624 . . . . 0.0 112.627 -168.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.318 58.4 mt -99.08 -137.04 0.3 Allowed 'General case' 0 CA--C 1.576 1.972 0 O-C-N 126.259 2.225 . . . . 0.0 113.206 168.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.7 p -169.65 155.51 6.02 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 118.637 -2.54 . . . . 0.0 114.43 -175.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -62.86 -55.82 22.79 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 116.435 2.013 . . . . 0.0 116.435 -169.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.7 m -69.88 -26.59 64.26 Favored 'General case' 0 N--CA 1.524 3.236 0 CA-C-N 120.716 1.598 . . . . 0.0 114.217 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -63.8 -58.56 6.45 Favored 'General case' 0 N--CA 1.421 -1.897 0 C-N-CA 126.715 2.006 . . . . 0.0 107.979 169.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.1 t -71.66 -34.72 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.397 0 O-C-N 119.591 -1.943 . . . . 0.0 114.715 -169.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.79 8.31 0.06 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 164.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -117.82 -34.52 4.17 Favored 'General case' 0 N--CA 1.426 -1.632 0 CA-C-O 112.346 -3.692 . . . . 0.0 116.119 165.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -99.67 -29.98 12.36 Favored 'General case' 0 CA--C 1.485 -1.553 0 O-C-N 126.221 2.201 . . . . 0.0 115.19 -173.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.451 HD21 ' CG ' ' A' ' 80' ' ' TYR . 13.8 tp -64.85 -31.41 72.63 Favored 'General case' 0 N--CA 1.503 2.218 0 CA-C-N 112.753 -2.021 . . . . 0.0 110.885 159.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -68.15 -47.15 68.83 Favored 'General case' 0 N--CA 1.498 1.97 0 C-N-CA 127.087 2.155 . . . . 0.0 112.648 170.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.495 ' O ' HG22 ' A' ' 66' ' ' VAL . 1.3 tm? -50.82 -61.79 2.0 Allowed 'General case' 0 CA--C 1.555 1.154 0 O-C-N 119.266 -2.146 . . . . 0.0 113.243 169.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.492 ' N ' HD13 ' A' ' 62' ' ' LEU . 89.7 mt -58.69 -36.37 74.11 Favored 'General case' 0 N--CA 1.506 2.368 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -173.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -57.91 -41.94 83.72 Favored 'General case' 0 CA--C 1.56 1.355 0 CA-C-O 124.485 2.088 . . . . 0.0 114.663 174.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.6 m -82.22 -14.04 56.15 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 126.124 1.77 . . . . 0.0 109.833 -176.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 62' ' ' LEU 0.266 27.8 m -114.77 27.69 3.1 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.23 0 CA-C-N 123.958 3.072 . . . . 0.0 115.96 176.692 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.261 16.4 p80 53.84 19.46 1.93 Allowed 'General case' 0 C--N 1.383 2.042 0 C-N-CA 129.687 3.195 . . . . 0.0 118.191 167.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.7 mp -77.01 -52.61 9.05 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 125.024 2.345 . . . . 0.0 108.269 165.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.3 t -97.94 163.86 2.46 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.556 0 CA-C-N 112.756 -2.02 . . . . 0.0 109.137 -172.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.535 ' HE2' ' HA ' ' A' ' 83' ' ' ASP . 28.3 ttpt -151.5 124.2 8.49 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 119.805 -1.809 . . . . 0.0 114.526 176.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.8 153.99 19.84 Favored 'General case' 0 N--CA 1.504 2.251 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 49.5 tttm -153.89 154.64 34.25 Favored 'General case' 0 C--N 1.383 2.028 0 C-N-CA 125.389 1.476 . . . . 0.0 111.907 162.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 . . . . . 0 N--CA 1.498 1.959 0 O-C-N 117.765 -3.084 . . . . 0.0 108.791 -178.258 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 74.2 mmm . . . . . 0 CA--C 1.514 -0.418 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 36.9 mm -96.71 133.16 39.17 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.229 0 O-C-N 125.539 1.774 . . . . 0.0 107.921 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.451 ' CG ' HD21 ' A' ' 60' ' ' LEU . 34.2 m-85 -121.19 135.42 55.15 Favored 'General case' 0 C--N 1.288 -2.077 0 C-N-CA 127.1 2.16 . . . . 0.0 105.878 -168.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.5 m -147.56 -174.06 4.44 Favored 'General case' 0 N--CA 1.504 2.235 0 C-N-CA 126.262 1.825 . . . . 0.0 107.462 -167.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -82.01 157.5 24.17 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 113.592 -3.099 . . . . 0.0 116.674 165.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.535 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 21.3 t70 -74.59 -28.27 60.84 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 124.243 3.201 . . . . 0.0 115.61 -174.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -173.28 176.89 2.79 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 127.127 2.171 . . . . 0.0 114.408 169.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.0 tp -50.14 -29.93 6.22 Favored 'Isoleucine or valine' 0 C--N 1.368 1.385 0 N-CA-C 117.509 2.411 . . . . 0.0 117.509 173.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -58.69 -58.54 8.13 Favored 'General case' 0 N--CA 1.407 -2.599 0 O-C-N 117.231 -3.418 . . . . 0.0 113.326 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.27 -36.66 50.04 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.206 0 C-N-CA 127.441 2.297 . . . . 0.0 109.539 -177.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.458 ' O ' ' HB2' ' A' ' 92' ' ' LYS . . . -57.23 -35.42 69.67 Favored 'General case' 0 C--O 1.267 2.012 0 O-C-N 124.463 1.102 . . . . 0.0 111.375 169.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 38.7 m -91.79 -31.77 15.62 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 117.264 -3.397 . . . . 0.0 110.692 -174.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.5 ttt -44.83 -64.38 0.72 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 119.272 -2.142 . . . . 0.0 114.873 159.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.425 HD13 ' CB ' ' A' ' 32' ' ' MET . 7.3 tt -67.77 -44.02 78.42 Favored 'General case' 0 C--O 1.271 2.188 0 CA-C-N 121.81 2.095 . . . . 0.0 110.382 -176.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 88' ' ' ALA 0.265 18.0 tttp -45.78 -57.81 3.99 Favored 'General case' 0 C--N 1.373 1.596 0 C-N-CA 126.252 1.821 . . . . 0.0 112.936 171.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -62.97 -31.88 73.09 Favored 'General case' 0 C--O 1.253 1.241 0 C-N-CA 129.462 3.105 . . . . 0.0 116.298 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.94 -48.43 71.41 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 168.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -49.37 -18.1 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.4 2.775 0 CA-C-O 124.77 2.224 . . . . 0.0 111.048 168.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . 0.397 29.9 m-70 -95.45 -15.54 22.89 Favored 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 117.176 2.287 . . . . 0.0 117.176 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -98.6 -19.85 17.34 Favored 'General case' 0 C--N 1.383 2.053 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 166.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -51.54 -38.65 55.24 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 119.61 3.189 . . . . 0.0 119.61 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -140.77 163.02 34.04 Favored 'General case' 0 CA--C 1.594 2.642 0 C-N-CA 128.416 2.686 . . . . 0.0 112.107 154.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -133.61 88.85 32.69 Favored Pre-proline 0 CA--C 1.586 2.335 0 N-CA-C 104.814 -2.291 . . . . 0.0 104.814 -178.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo . . . . . 0 CA--C 1.58 2.81 0 C-N-CA 121.743 1.629 . . . . 0.0 111.381 -159.416 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.404 ' C ' ' H ' ' B' ' 12' ' ' THR . 66.2 p . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 116.843 -1.551 . . . . 0.0 113.978 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . 0.334 11.6 m-20 63.79 -29.24 0.09 Allowed 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 129.283 3.033 . . . . 0.0 115.13 -174.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.404 ' H ' ' C ' ' B' ' 10' ' ' THR . 41.8 p -132.4 -42.94 0.94 Allowed 'General case' 0 C--O 1.244 0.782 0 CA-C-O 113.539 -3.124 . . . . 0.0 113.261 -164.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.496 HD11 HG13 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -50.98 -51.2 55.13 Favored 'General case' 0 N--CA 1.508 2.428 0 CA-C-N 122.72 2.509 . . . . 0.0 117.223 162.362 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -60.01 7.82 0.02 OUTLIER 'General case' 0 CA--C 1.584 2.257 0 N-CA-C 116.067 1.877 . . . . 0.0 116.067 173.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -139.23 -25.06 0.86 Allowed 'General case' 0 N--CA 1.419 -1.982 1 C-N-CA 131.814 4.046 . . . . 0.0 117.625 177.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.51 HG23 HD11 ' A' ' 29' ' ' ILE . 35.3 m -81.22 -28.13 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 CA-C-N 122.393 2.361 . . . . 0.0 112.875 169.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 5.7 p -38.44 -52.68 1.57 Allowed 'General case' 0 CA--C 1.497 -1.08 0 CA-C-N 122.773 2.533 . . . . 0.0 107.719 168.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -57.98 -33.03 68.45 Favored 'General case' 0 N--CA 1.427 -1.581 0 O-C-N 126.896 2.623 . . . . 0.0 114.56 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.415 HD12 HG12 ' B' ' 16' ' ' VAL . 5.8 mt -79.15 -46.52 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 CA-C-O 118.025 -0.988 . . . . 0.0 111.523 171.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -81.14 -4.18 54.52 Favored 'General case' 0 C--O 1.273 2.315 1 C-N-CA 133.983 4.913 . . . . 0.0 112.697 -168.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . 0.275 24.8 pttt -100.32 -20.22 15.96 Favored 'General case' 0 CA--C 1.579 2.082 0 CA-C-O 112.183 -3.77 . . . . 0.0 111.027 158.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.92 -10.9 23.8 Favored 'General case' 0 N--CA 1.506 2.361 0 CA-C-N 121.875 2.125 . . . . 0.0 110.851 -176.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.09 -13.15 32.78 Favored 'General case' 0 N--CA 1.501 2.121 0 CA-C-N 123.51 2.868 . . . . 0.0 112.748 172.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.71 49.13 2.73 Favored Glycine 1 CA--C 1.58 4.153 0 CA-C-O 117.117 -1.935 . . . . 0.0 116.383 -159.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -155.89 118.74 4.22 Favored 'General case' 0 C--O 1.265 1.896 0 N-CA-C 103.668 -2.715 . . . . 0.0 103.668 173.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -56.8 -35.31 68.58 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.051 0.941 . . . . 0.0 110.434 -175.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -59.79 -60.57 3.63 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 128.606 2.762 . . . . 0.0 110.194 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . 0.284 68.2 mtt180 -42.55 -46.99 5.07 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 129.595 3.158 . . . . 0.0 108.824 174.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.8 mm -80.8 -44.0 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 CA-C-O 115.319 -2.277 . . . . 0.0 108.762 -169.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 -50.47 -39.71 48.77 Favored 'General case' 0 N--CA 1.427 -1.586 0 O-C-N 125.393 1.683 . . . . 0.0 111.24 174.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 16.1 mt -60.04 -40.99 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.494 0 CA-C-N 114.324 -1.307 . . . . 0.0 114.013 169.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . 0.567 ' SD ' HD22 ' B' ' 63' ' ' LEU . 43.9 mtm -86.69 -47.58 9.02 Favored 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -175.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -19.65 -54.87 0.01 OUTLIER 'General case' 0 N--CA 1.529 3.49 0 O-C-N 119.759 -1.838 . . . . 0.0 112.763 141.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -68.69 -59.6 3.0 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 175.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 83.3 mt -53.74 -26.93 25.63 Favored 'General case' 0 C--N 1.364 1.224 0 N-CA-C 121.172 3.768 . . . . 0.0 121.172 -177.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 81.4 p -72.94 -3.33 25.21 Favored 'General case' 0 CA--C 1.564 1.516 1 O-C-N 130.365 4.79 . . . . 0.0 118.056 170.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 3.6 m -123.99 -20.87 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.539 0 CA-C-O 117.192 -1.385 . . . . 0.0 112.352 162.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 27.5 t -160.07 104.24 1.5 Allowed 'General case' 0 C--N 1.374 1.637 0 CA-C-N 121.242 1.837 . . . . 0.0 114.177 176.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -51.35 143.17 12.01 Favored 'General case' 0 CA--C 1.597 2.759 0 O-C-N 125.512 1.757 . . . . 0.0 112.545 -174.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.13 158.3 43.87 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 116.04 1.867 . . . . 0.0 116.04 165.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 8.5 t -98.07 151.79 19.98 Favored 'General case' 0 CA--C 1.462 -2.423 0 O-C-N 119.795 -1.815 . . . . 0.0 111.504 162.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . 0.29 2.6 t 10.2 -70.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.261 1.69 0 C-N-CA 129.861 3.264 . . . . 0.0 119.777 150.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.53 -13.77 83.17 Favored Glycine 0 N--CA 1.488 2.151 0 C-N-CA 116.776 -2.631 . . . . 0.0 117.83 -172.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -95.81 -33.03 12.4 Favored 'General case' 0 CA--C 1.568 1.662 0 CA-C-O 117.148 -1.406 . . . . 0.0 111.252 170.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 87.1 mt -50.79 -44.95 27.23 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.078 0 C-N-CA 128.104 2.561 . . . . 0.0 110.626 163.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 39.0 m -60.61 -16.77 41.7 Favored 'General case' 0 CA--C 1.582 2.174 0 CA-C-N 112.911 -1.95 . . . . 0.0 113.534 176.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -101.21 -56.3 2.34 Favored 'General case' 0 CA--C 1.591 2.535 0 CA-C-O 115.759 -2.067 . . . . 0.0 109.054 171.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -53.54 -38.37 63.74 Favored 'General case' 0 C--O 1.274 2.362 0 C-N-CA 128.567 2.747 . . . . 0.0 117.346 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 mt -119.02 12.22 12.69 Favored 'General case' 0 CA--C 1.603 3.019 0 C-N-CA 130.961 3.704 . . . . 0.0 114.839 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 23.7 m120 34.29 59.94 0.6 Allowed 'General case' 0 C--O 1.257 1.493 0 C-N-CA 129.386 3.075 . . . . 0.0 111.245 175.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 47.4 mt -116.28 161.67 18.65 Favored 'General case' 0 N--CA 1.517 2.898 0 O-C-N 118.95 -2.344 . . . . 0.0 108.219 169.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 22.5 p -72.45 145.57 47.51 Favored 'General case' 0 C--N 1.387 2.2 0 CA-C-N 121.467 1.94 . . . . 0.0 108.885 177.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -63.22 -36.14 82.66 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 119.634 -1.916 . . . . 0.0 113.143 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.5 -44.57 96.85 Favored 'General case' 0 CA--C 1.572 1.82 0 C-N-CA 128.39 2.676 . . . . 0.0 110.011 174.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -64.94 -32.35 74.03 Favored 'General case' 0 N--CA 1.509 2.485 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 167.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . 0.401 52.4 t -76.61 -40.37 33.37 Favored 'Isoleucine or valine' 0 C--N 1.368 1.399 1 O-C-N 115.729 -4.357 . . . . 0.0 113.873 177.734 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 75.7 m -47.92 -7.63 0.02 OUTLIER 'General case' 0 N--CA 1.416 -2.132 0 C-N-CA 130.391 3.476 . . . . 0.0 115.875 156.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -119.08 -37.79 3.15 Favored 'General case' 0 C--N 1.404 2.971 0 C-N-CA 128.036 2.534 . . . . 0.0 117.077 176.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -82.77 -54.12 5.36 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 127.244 2.218 . . . . 0.0 109.719 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.3 tp -58.51 -15.64 11.97 Favored 'General case' 0 C--N 1.368 1.386 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 173.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -87.08 -27.07 23.36 Favored 'General case' 0 C--O 1.261 1.702 0 CA-C-O 118.458 -0.782 . . . . 0.0 111.93 168.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.483 ' C ' HD13 ' B' ' 62' ' ' LEU . 1.6 tm? -61.55 -53.99 49.07 Favored 'General case' 0 CA--C 1.484 -1.58 0 CA-C-N 121.536 1.971 . . . . 0.0 110.99 172.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.567 HD22 ' SD ' ' B' ' 32' ' ' MET . 79.4 mt -56.89 -38.22 72.49 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 124.601 2.144 . . . . 0.0 110.043 -172.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -65.86 -49.99 66.14 Favored 'General case' 0 N--CA 1.523 3.216 0 CA-C-N 110.801 -2.909 . . . . 0.0 105.12 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.3 m -75.22 1.41 13.54 Favored 'General case' 0 CA--C 1.562 1.427 0 O-C-N 120.057 -1.652 . . . . 0.0 114.683 -173.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.454 HG23 ' HG ' ' B' ' 68' ' ' LEU 0.312 13.0 m -110.08 2.01 9.21 Favored 'Isoleucine or valine' 0 C--N 1.369 1.423 0 O-C-N 116.395 -3.94 . . . . 0.0 111.907 165.791 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . 0.263 0.9 OUTLIER 61.89 25.58 15.39 Favored 'General case' 0 N--CA 1.408 -2.528 0 C-N-CA 128.241 2.616 . . . . 0.0 117.439 -179.37 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.454 ' HG ' HG23 ' B' ' 66' ' ' VAL . 16.7 mt -72.55 -25.03 61.22 Favored 'General case' 0 N--CA 1.497 1.875 0 C-N-CA 128.189 2.596 . . . . 0.0 112.916 165.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.0 t -130.08 152.28 37.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 C-N-CA 129.026 2.93 . . . . 0.0 113.196 -171.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -138.53 137.89 37.49 Favored 'General case' 0 C--N 1.386 2.182 0 CA-C-O 125.278 2.466 . . . . 0.0 115.784 167.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.89 143.65 29.74 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 112.468 -2.151 . . . . 0.0 110.29 167.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 53.5 pttt . . . . . 0 N--CA 1.499 1.984 0 CA-C-N 114.651 -1.158 . . . . 0.0 110.078 174.461 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 42.5 mtm . . . . . 0 C--O 1.267 1.983 0 N-CA-C 103.991 -2.596 . . . . 0.0 103.991 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 28.3 mm -94.82 150.44 4.1 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.983 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 172.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -127.64 145.8 50.76 Favored 'General case' 0 CA--C 1.564 1.481 0 CA-C-O 124.344 2.021 . . . . 0.0 114.491 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 1.5 m -133.96 172.28 13.03 Favored 'General case' 0 N--CA 1.401 -2.904 0 C-N-CA 131.194 3.798 . . . . 0.0 113.287 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 9.6 mp -72.72 156.58 38.79 Favored 'General case' 0 C--O 1.265 1.917 0 O-C-N 118.872 -2.392 . . . . 0.0 107.158 157.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . 0.299 21.4 t0 -71.24 -51.34 25.18 Favored 'General case' 0 C--O 1.285 2.967 0 O-C-N 119.861 -1.775 . . . . 0.0 111.65 -169.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -151.75 -176.04 5.46 Favored 'General case' 0 C--N 1.377 1.793 0 CA-C-O 124.67 2.176 . . . . 0.0 109.945 166.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.52 HD12 ' C ' ' B' ' 85' ' ' ILE . 1.1 pp -76.03 0.15 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.16 0 CA-C-N 110.154 -3.203 . . . . 0.0 115.99 -176.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -64.72 -64.04 0.97 Allowed 'General case' 0 C--N 1.281 -2.408 1 O-C-N 115.744 -4.347 . . . . 0.0 116.561 167.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . 0.334 1.6 m -62.29 -32.88 56.29 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.176 0 CA-C-N 114.395 -1.275 . . . . 0.0 112.834 173.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.02 -36.87 85.0 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 117.009 -3.557 . . . . 0.0 110.074 176.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 5.4 m -77.58 -32.15 53.54 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 123.759 1.742 . . . . 0.0 108.976 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 7.5 tmm? -67.19 -44.82 78.69 Favored 'General case' 0 N--CA 1.409 -2.497 0 N-CA-C 120.244 3.424 . . . . 0.0 120.244 172.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 tt -56.7 -50.12 73.11 Favored 'General case' 0 C--O 1.248 0.981 0 CA-C-N 113.237 -1.801 . . . . 0.0 108.145 166.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -73.01 -33.35 65.7 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 118.115 -2.866 . . . . 0.0 109.672 -170.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -79.19 -7.48 58.25 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 117.419 -3.301 . . . . 0.0 113.807 171.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.02 -48.14 22.11 Favored 'General case' 0 CA--C 1.562 1.432 0 CA-C-O 115.152 -2.356 . . . . 0.0 112.18 158.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 2.2 mm -54.98 -41.06 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.804 0 O-C-N 125.5 1.75 . . . . 0.0 110.499 166.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . 0.274 0.9 OUTLIER -64.94 -35.02 79.8 Favored 'General case' 0 N--CA 1.525 3.289 0 O-C-N 120.732 -1.23 . . . . 0.0 114.198 -178.785 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -80.42 -22.71 40.93 Favored 'General case' 0 CA--C 1.576 1.969 0 CA-C-O 124.802 2.239 . . . . 0.0 111.343 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -77.52 -15.75 59.09 Favored 'General case' 0 C--N 1.377 1.772 1 CA-C-O 129.814 4.626 . . . . 0.0 115.682 168.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -138.06 93.34 2.75 Favored 'General case' 0 C--O 1.265 1.898 1 O-C-N 114.18 -5.325 . . . . 0.0 109.584 -166.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 67.0 m170 . . . . . 0 N--CA 1.512 2.671 0 CA-C-O 114.282 -2.77 . . . . 0.0 114.801 -179.113 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 117.317 -1.325 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 47.33 -33.6 0.0 OUTLIER 'General case' 0 CA--C 1.581 2.16 1 C-N-CA 135.027 5.331 . . . . 0.0 116.593 177.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.4 p -148.58 -30.74 0.27 Allowed 'General case' 0 C--O 1.266 1.941 0 C-N-CA 130.162 3.385 . . . . 0.0 115.136 -172.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . 0.25 1.4 mm? -55.46 -41.48 72.99 Favored 'General case' 0 CA--C 1.561 1.367 0 CA-C-O 115.983 -1.96 . . . . 0.0 114.294 -173.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -62.82 -24.81 67.95 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 120.841 1.655 . . . . 0.0 115.378 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -81.21 -12.08 59.24 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 162.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.54 HG12 ' CZ ' ' A' ' 20' ' ' PHE . 4.0 t -83.93 -41.1 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.156 -0.965 . . . . 0.0 111.73 170.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.7 p -67.58 -26.7 66.41 Favored 'General case' 0 N--CA 1.512 2.637 0 C-N-CA 118.345 -1.342 . . . . 0.0 111.623 171.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -68.47 -15.54 63.58 Favored 'General case' 0 C--O 1.204 -1.303 0 C-N-CA 125.898 1.679 . . . . 0.0 112.658 167.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.426 HD11 HG13 ' A' ' 16' ' ' VAL . 2.7 pp -116.76 29.74 2.44 Favored 'Isoleucine or valine' 0 C--N 1.363 1.184 0 CA-C-N 120.943 1.701 . . . . 0.0 112.709 170.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.54 ' CZ ' HG12 ' A' ' 16' ' ' VAL . 10.2 m-85 -117.01 -37.88 3.5 Favored 'General case' 0 C--N 1.366 1.32 0 O-C-N 118.251 -2.781 . . . . 0.0 110.59 160.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -63.34 64.98 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.043 0 O-C-N 124.467 1.104 . . . . 0.0 110.856 150.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -176.99 -26.44 0.01 OUTLIER 'General case' 0 C--N 1.264 -3.112 0 O-C-N 128.554 3.659 . . . . 0.0 109.751 -176.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.6 mt -92.78 -123.5 0.09 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 127.841 2.456 . . . . 0.0 106.785 172.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.29 22.43 0.95 Allowed Glycine 1 CA--C 1.618 6.493 1 N-CA-C 123.864 4.306 . . . . 0.0 123.864 -179.346 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -145.42 -177.69 5.69 Favored 'General case' 0 C--N 1.396 2.598 0 N-CA-C 116.86 2.17 . . . . 0.0 116.86 164.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -99.2 -61.44 1.37 Allowed 'General case' 0 CA--C 1.552 1.035 0 O-C-N 119.104 -2.247 . . . . 0.0 114.065 -165.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -68.83 -45.38 71.3 Favored 'General case' 0 CA--C 1.574 1.875 0 O-C-N 117.144 -3.473 . . . . 0.0 109.167 -175.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -28.95 -30.81 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.587 0 C-N-CA 128.864 2.866 . . . . 0.0 116.083 169.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.9 pt -120.65 -12.43 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 174.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.1 ttp85 -62.6 -20.13 64.43 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 117.573 -3.204 . . . . 0.0 112.827 165.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.413 HG13 HD22 ' A' ' 49' ' ' LEU . 9.4 mt -80.34 -40.86 20.2 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.434 0 O-C-N 119.554 -1.966 . . . . 0.0 112.074 167.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 87.5 mtp -81.15 -50.04 10.09 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-O 115.101 -2.38 . . . . 0.0 108.119 -163.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.444 ' N ' HD22 ' A' ' 91' ' ' LEU . 10.4 tm-20 -11.75 -54.29 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.681 0 N-CA-C 120.43 3.493 . . . . 0.0 120.43 141.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.64 HD13 ' C ' ' A' ' 34' ' ' LEU 0.252 0.2 OUTLIER -81.39 -43.2 19.32 Favored 'General case' 0 N--CA 1.511 2.584 0 CA-C-N 113.782 -1.554 . . . . 0.0 112.561 -175.801 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.459 ' CD2' ' H ' ' A' ' 40' ' ' ALA . 90.0 mt -65.74 -25.87 67.48 Favored 'General case' 0 C--O 1.192 -1.955 0 O-C-N 121.606 -0.684 . . . . 0.0 109.973 -175.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.3 m -67.0 -5.94 14.89 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 129.401 3.081 . . . . 0.0 116.007 174.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.5 m -135.63 -21.72 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 167.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.5 m -155.01 113.5 3.53 Favored 'General case' 0 CA--C 1.489 -1.394 0 C-N-CA 125.645 1.578 . . . . 0.0 109.003 166.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -66.63 143.17 57.16 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 124.089 1.9 . . . . 0.0 112.894 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.459 ' H ' ' CD2' ' A' ' 35' ' ' LEU . . . -141.65 147.83 38.18 Favored 'General case' 0 CA--C 1.623 3.768 0 C-N-CA 129.007 2.923 . . . . 0.0 109.763 -174.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.9 t -103.81 170.45 7.92 Favored 'General case' 1 N--CA 1.587 6.394 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 171.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 t -23.7 -65.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.366 1.315 0 C-N-CA 126.238 1.815 . . . . 0.0 114.564 174.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.98 -38.85 94.82 Favored Glycine 0 C--N 1.338 0.687 0 O-C-N 126.095 2.122 . . . . 0.0 115.949 -178.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -84.73 -24.86 28.68 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 116.869 2.174 . . . . 0.0 116.869 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.408 HG23 HD13 ' A' ' 49' ' ' LEU . 54.3 mt -66.79 -55.72 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.793 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 169.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -43.46 -44.17 5.72 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 128.611 2.764 . . . . 0.0 114.593 169.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -60.37 -74.0 0.08 Allowed 'General case' 0 C--O 1.203 -1.359 0 O-C-N 118.186 -2.821 . . . . 0.0 113.692 163.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -71.0 -32.76 69.68 Favored 'General case' 0 CA--C 1.599 2.839 0 CA-C-O 122.803 1.287 . . . . 0.0 111.715 -154.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.413 HD22 HG13 ' A' ' 31' ' ' ILE . 2.7 mp -102.54 10.77 38.63 Favored 'General case' 0 CA--C 1.567 1.621 0 CA-C-O 116.905 -1.521 . . . . 0.0 111.139 176.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.4 m120 57.09 50.1 12.54 Favored 'General case' 0 N--CA 1.51 2.54 0 N-CA-C 118.883 2.92 . . . . 0.0 118.883 172.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.9 mt -112.9 -142.51 0.38 Allowed 'General case' 0 CA--C 1.584 2.279 0 C-N-CA 127.084 2.154 . . . . 0.0 113.424 -177.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.5 p -155.43 164.74 38.31 Favored 'General case' 0 CA--C 1.577 2.019 0 CA-C-N 120.638 1.563 . . . . 0.0 110.221 -178.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -74.43 -44.41 51.95 Favored 'General case' 0 N--CA 1.426 -1.627 0 C-N-CA 118.462 -1.295 . . . . 0.0 114.426 -166.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.5 m -68.22 -42.83 79.23 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 123.148 1.451 . . . . 0.0 109.313 -174.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -51.71 -48.88 63.39 Favored 'General case' 0 C--O 1.194 -1.847 1 C-N-CA 132.129 4.172 . . . . 0.0 112.125 171.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.512 ' C ' ' H ' ' A' ' 58' ' ' HIS . 74.7 t -83.13 -32.78 9.72 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.003 0 O-C-N 118.687 -2.508 . . . . 0.0 111.411 -175.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.6 m -60.16 10.15 0.02 OUTLIER 'General case' 0 C--O 1.248 1.003 0 O-C-N 117.08 -3.512 . . . . 0.0 113.701 162.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.512 ' H ' ' C ' ' A' ' 56' ' ' VAL . 52.4 t-80 -140.56 -30.73 0.64 Allowed 'General case' 0 CA--C 1.567 1.631 0 O-C-N 120.363 -1.46 . . . . 0.0 111.403 -178.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -95.22 -30.58 13.92 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 118.215 -2.803 . . . . 0.0 110.339 177.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.447 HD21 ' CD1' ' A' ' 80' ' ' TYR . 7.7 tp -60.61 -50.35 73.88 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 129.058 2.943 . . . . 0.0 111.563 156.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -62.71 -39.24 93.41 Favored 'General case' 0 C--N 1.393 2.473 0 N-CA-C 106.668 -1.605 . . . . 0.0 106.668 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.431 HD13 ' N ' ' A' ' 63' ' ' LEU . 2.7 tm? -52.3 -70.19 0.09 Allowed 'General case' 1 N--CA 1.54 4.038 0 CA-C-O 115.134 -2.365 . . . . 0.0 111.157 172.629 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.431 ' N ' HD13 ' A' ' 62' ' ' LEU . 92.7 mt -45.82 -53.6 9.41 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 124.122 1.915 . . . . 0.0 111.823 -174.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -49.86 -31.46 12.1 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 111.591 -2.549 . . . . 0.0 117.231 169.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.1 m -90.35 3.91 52.34 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 174.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.7 m -126.04 7.02 4.0 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.5 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 177.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.256 7.6 p80 56.97 26.82 12.3 Favored 'General case' 0 N--CA 1.419 -2.005 0 CA-C-O 126.35 2.976 . . . . 0.0 115.503 175.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.5 mp -79.23 -24.95 42.7 Favored 'General case' 0 C--O 1.247 0.936 0 CA-C-N 113.344 -1.753 . . . . 0.0 115.699 159.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -126.52 155.88 37.07 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.688 0 C-N-CA 131.604 3.961 . . . . 0.0 118.024 -174.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -144.63 128.75 17.64 Favored 'General case' 0 N--CA 1.422 -1.825 0 O-C-N 120.156 -1.59 . . . . 0.0 111.657 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.782 ' HB2' ' CE2' ' A' ' 80' ' ' TYR . . . -81.09 146.7 30.47 Favored 'General case' 0 CA--C 1.572 1.798 0 C-N-CA 128.682 2.793 . . . . 0.0 112.704 173.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -150.19 151.95 33.88 Favored 'General case' 0 CA--C 1.485 -1.547 0 CA-C-O 122.843 1.306 . . . . 0.0 109.049 169.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 56.9 ttt-85 . . . . . 0 C--N 1.382 1.993 0 C-N-CA 125.114 1.366 . . . . 0.0 108.92 -171.522 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 93.6 mmm . . . . . 0 C--O 1.214 -0.805 0 CA-C-O 122.878 1.323 . . . . 0.0 112.988 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . 0.253 5.6 mm -99.88 155.84 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.52 0 N-CA-C 105.069 -2.197 . . . . 0.0 105.069 175.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.782 ' CE2' ' HB2' ' A' ' 71' ' ' ALA . 45.1 m-85 -135.85 149.29 48.99 Favored 'General case' 0 CA--C 1.461 -2.473 0 CA-C-N 110.383 -3.099 . . . . 0.0 113.533 177.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.8 m -146.78 165.94 28.14 Favored 'General case' 0 C--O 1.192 -1.97 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 -161.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -53.33 149.04 7.87 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-O 124.752 2.215 . . . . 0.0 109.502 163.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . 0.335 30.7 t70 -52.56 -58.35 7.05 Favored 'General case' 0 N--CA 1.506 2.344 1 O-C-N 113.623 -5.673 . . . . 0.0 113.845 167.633 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -156.7 -177.34 6.54 Favored 'General case' 0 C--O 1.248 0.991 0 CA-C-O 125.018 2.342 . . . . 0.0 110.448 172.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.8 tp -62.9 -18.01 20.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 116.657 -3.777 . . . . 0.0 114.277 176.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -69.03 -50.49 48.2 Favored 'General case' 0 C--O 1.209 -1.077 0 O-C-N 116.654 -3.779 . . . . 0.0 112.098 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.6 p -78.01 -34.74 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.999 0 CA-C-N 112.649 -2.069 . . . . 0.0 116.436 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -47.12 -49.13 22.66 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 120.335 1.425 . . . . 0.0 112.85 154.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.5 m -64.63 -53.34 49.19 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 -175.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 36.8 ttp -53.94 -44.87 71.01 Favored 'General case' 0 C--N 1.389 2.3 0 C-N-CA 125.872 1.669 . . . . 0.0 109.034 -172.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 33' ' ' GLU . 3.3 tt -66.15 -38.2 87.52 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 117.238 -3.414 . . . . 0.0 114.596 167.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.5 tptt -71.23 -41.1 70.59 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 119.262 -2.149 . . . . 0.0 114.755 -176.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -74.79 -16.64 60.7 Favored 'General case' 0 N--CA 1.507 2.414 0 O-C-N 120.208 -1.558 . . . . 0.0 114.918 172.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -78.78 -42.75 27.11 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 117.452 2.39 . . . . 0.0 117.452 164.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -57.01 -21.22 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.287 0 C-N-CA 125.856 1.663 . . . . 0.0 110.183 169.174 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -90.88 0.59 57.45 Favored 'General case' 0 CA--C 1.555 1.164 0 N-CA-C 117.547 2.425 . . . . 0.0 117.547 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -119.18 6.65 11.24 Favored 'General case' 0 N--CA 1.521 3.122 0 O-C-N 120.247 -1.533 . . . . 0.0 114.533 163.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.636 ' HB1' ' HB2' ' B' ' 15' ' ' ARG . . . -67.77 -47.86 68.02 Favored 'General case' 0 N--CA 1.505 2.288 0 C-N-CA 126.124 1.77 . . . . 0.0 113.012 164.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -136.39 177.2 8.03 Favored 'General case' 0 N--CA 1.507 2.418 0 CA-C-N 119.272 0.942 . . . . 0.0 112.231 164.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -141.12 60.95 13.32 Favored Pre-proline 0 N--CA 1.513 2.683 0 O-C-N 126.432 2.333 . . . . 0.0 111.6 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo . . . . . 0 N--CA 1.429 -2.309 1 C-N-CA 127.148 5.232 . . . . 0.0 113.299 -165.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 62.9 p . . . . . 0 C--O 1.212 -0.876 0 CA-C-O 117.51 -1.233 . . . . 0.0 112.827 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 34.76 -15.76 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.679 0 N-CA-C 119.873 3.286 . . . . 0.0 119.873 -150.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 33.0 p -116.0 -57.18 2.24 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-N 121.978 2.172 . . . . 0.0 107.673 -162.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.2 -53.93 19.0 Favored 'General case' 0 C--O 1.186 -2.248 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 165.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -47.7 -5.61 0.01 OUTLIER 'General case' 0 C--N 1.276 -2.592 0 C-N-CA 127.393 2.277 . . . . 0.0 116.009 161.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.636 ' HB2' ' HB1' ' A' ' 98' ' ' ALA . 2.7 mmp_? -132.02 -19.27 2.57 Favored 'General case' 0 N--CA 1.404 -2.769 0 N-CA-C 119.707 3.225 . . . . 0.0 119.707 177.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.476 HG12 HD12 ' B' ' 19' ' ' ILE . 21.4 m -88.03 -12.33 10.44 Favored 'Isoleucine or valine' 0 C--N 1.369 1.443 0 O-C-N 117.674 -3.141 . . . . 0.0 115.208 171.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.5 p -68.37 -38.04 81.02 Favored 'General case' 0 C--O 1.199 -1.6 0 C-N-CA 117.016 -1.874 . . . . 0.0 110.671 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . 0.262 5.1 tp10 -52.59 -36.7 56.68 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-N 112.429 -2.169 . . . . 0.0 115.692 162.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.476 HD12 HG12 ' B' ' 16' ' ' VAL . 50.4 mt -76.53 -42.93 35.48 Favored 'Isoleucine or valine' 0 C--O 1.259 1.576 0 CA-C-O 114.579 -2.629 . . . . 0.0 111.695 169.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . 0.27 5.1 m-30 -79.75 -9.94 59.72 Favored 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 130.801 3.641 . . . . 0.0 110.713 -167.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -84.05 -42.63 15.94 Favored 'General case' 0 C--O 1.276 2.483 0 C-N-CA 127.656 2.383 . . . . 0.0 115.247 157.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.73 -16.04 61.66 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 -176.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 80.9 mt -67.51 -11.81 58.84 Favored 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 124.931 1.293 . . . . 0.0 113.383 178.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.09 42.86 0.3 Allowed Glycine 0 C--O 1.197 -2.209 0 C-N-CA 130.1 3.714 . . . . 0.0 115.347 -161.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -157.72 131.9 8.21 Favored 'General case' 0 CA--C 1.597 2.754 0 CA-C-N 121.316 2.558 . . . . 0.0 106.027 173.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -33.83 74.43 Favored 'General case' 0 CA--C 1.564 1.509 0 CA-C-N 120.061 1.301 . . . . 0.0 110.152 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -69.0 -42.38 76.52 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -178.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -56.76 -35.01 68.15 Favored 'General case' 0 C--O 1.168 -3.194 0 C-N-CA 123.859 0.864 . . . . 0.0 111.596 174.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 13.2 mm -89.62 -45.73 15.22 Favored 'Isoleucine or valine' 0 C--O 1.258 1.514 0 C-N-CA 126.538 1.935 . . . . 0.0 113.279 -169.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -54.12 -24.16 16.67 Favored 'General case' 0 C--N 1.396 2.623 0 C-N-CA 127.108 2.163 . . . . 0.0 107.897 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 31.5 mt -72.8 -38.05 56.53 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.749 0 O-C-N 118.88 -2.388 . . . . 0.0 111.776 171.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . 0.467 ' HB2' ' CD1' ' B' ' 91' ' ' LEU 0.256 70.5 mtm -91.01 -43.24 10.06 Favored 'General case' 0 C--N 1.289 -2.032 1 O-C-N 116.289 -4.007 . . . . 0.0 114.035 -173.199 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -21.73 -43.33 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 127.271 2.228 . . . . 0.0 114.979 135.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.553 ' O ' HG22 ' B' ' 37' ' ' VAL . 0.4 OUTLIER -78.0 -54.09 6.68 Favored 'General case' 0 C--O 1.265 1.872 0 O-C-N 118.989 -2.319 . . . . 0.0 114.437 168.196 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.409 ' CD2' ' H ' ' B' ' 40' ' ' ALA . 30.9 mt -61.35 -32.62 72.51 Favored 'General case' 0 CA--C 1.592 2.574 0 C-N-CA 127.757 2.423 . . . . 0.0 115.433 -170.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 36.9 p -62.95 -10.2 12.72 Favored 'General case' 0 N--CA 1.518 2.944 0 CA-C-N 110.653 -2.976 . . . . 0.0 117.735 164.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.553 HG22 ' O ' ' B' ' 34' ' ' LEU 0.296 20.8 m -117.05 -52.28 4.41 Favored 'Isoleucine or valine' 0 C--N 1.365 1.279 0 C-N-CA 129.82 3.248 . . . . 0.0 111.649 172.237 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 9.1 t -130.47 138.67 50.38 Favored 'General case' 0 C--O 1.202 -1.441 0 C-N-CA 128.895 2.878 . . . . 0.0 115.064 166.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -78.14 134.47 37.67 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 117.838 2.532 . . . . 0.0 117.838 177.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.409 ' H ' ' CD2' ' B' ' 35' ' ' LEU . . . -144.01 156.85 44.55 Favored 'General case' 0 C--O 1.254 1.314 0 O-C-N 119.918 -1.739 . . . . 0.0 110.238 -176.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.418 ' HB2' ' HA ' ' B' ' 79' ' ' ILE . 41.2 t -122.42 150.6 42.24 Favored 'General case' 0 C--O 1.255 1.384 0 O-C-N 127.846 3.217 . . . . 0.0 108.228 -175.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 40.6 t -15.0 -65.78 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.96 0 O-C-N 127.409 2.943 . . . . 0.0 118.652 -176.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.8 -45.39 79.71 Favored Glycine 0 CA--C 1.575 3.798 0 O-C-N 126.694 2.496 . . . . 0.0 110.761 -177.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -80.19 -39.11 29.86 Favored 'General case' 0 N--CA 1.419 -2.016 0 C-N-CA 126.437 1.895 . . . . 0.0 111.127 -177.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.561 HG23 HD13 ' B' ' 49' ' ' LEU . 92.3 mt -50.39 -40.5 18.37 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.205 0 O-C-N 119.848 -1.782 . . . . 0.0 112.267 165.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 43.1 m -64.8 -22.76 67.05 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 177.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . 0.255 5.9 t-80 -88.84 -40.21 13.3 Favored 'General case' 0 N--CA 1.512 2.659 0 C-N-CA 124.282 1.033 . . . . 0.0 111.539 173.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -81.51 -24.66 36.53 Favored 'General case' 0 C--O 1.209 -1.028 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -171.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.561 HD13 HG23 ' B' ' 45' ' ' ILE . 5.3 mp -124.45 11.36 8.63 Favored 'General case' 0 C--N 1.363 1.188 0 N-CA-C 117.118 2.266 . . . . 0.0 117.118 179.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 20.0 m120 49.31 56.81 7.25 Favored 'General case' 0 C--O 1.279 2.643 0 C-N-CA 126.992 2.117 . . . . 0.0 106.097 170.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 72.5 mt -109.46 158.34 18.06 Favored 'General case' 0 CA--C 1.578 2.029 0 C-N-CA 128.584 2.753 . . . . 0.0 104.654 168.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.0 p -76.11 144.51 40.61 Favored 'General case' 0 CA--C 1.555 1.145 0 O-C-N 120.563 -1.336 . . . . 0.0 112.471 163.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -63.57 -36.59 84.3 Favored 'General case' 0 C--O 1.204 -1.316 0 O-C-N 116.615 -3.803 . . . . 0.0 108.625 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.0 m -67.5 -23.59 65.49 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 121.228 1.831 . . . . 0.0 111.426 -177.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -76.02 -39.02 56.6 Favored 'General case' 0 C--O 1.3 3.733 0 O-C-N 118.83 -2.419 . . . . 0.0 112.412 168.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . 0.387 21.7 t -76.14 -34.66 26.82 Favored 'Isoleucine or valine' 0 C--O 1.279 2.615 0 CA-C-O 113.888 -2.958 . . . . 0.0 113.154 -178.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 29.3 m -58.07 0.53 0.06 Allowed 'General case' 0 C--N 1.37 1.462 0 O-C-N 126.605 2.441 . . . . 0.0 114.84 162.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -124.57 -37.48 2.5 Favored 'General case' 0 CA--C 1.485 -1.535 0 CA-C-N 120.073 1.306 . . . . 0.0 114.512 174.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -66.84 -40.44 87.94 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 118.386 -2.696 . . . . 0.0 110.773 174.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 tp -66.05 -36.22 82.64 Favored 'General case' 0 C--O 1.277 2.519 0 O-C-N 119.343 -2.098 . . . . 0.0 108.373 177.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -76.44 -36.0 58.19 Favored 'General case' 0 C--N 1.376 1.757 0 O-C-N 116.96 -3.588 . . . . 0.0 113.628 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -53.1 -60.81 2.82 Favored 'General case' 0 C--O 1.251 1.144 0 CA-C-N 120.263 1.392 . . . . 0.0 108.089 168.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 86.3 mt -55.06 -37.84 67.26 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 123.859 0.725 . . . . 0.0 112.609 -174.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -55.83 -56.64 18.17 Favored 'General case' 0 C--O 1.207 -1.155 0 C-N-CA 128.915 2.886 . . . . 0.0 107.971 179.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.0 m -62.54 -8.54 6.52 Favored 'General case' 0 CA--C 1.573 1.839 0 C-N-CA 129.726 3.211 . . . . 0.0 118.352 171.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 1.3 m -112.87 19.95 6.84 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.916 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 159.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 27.9 m170 56.52 13.73 1.44 Allowed 'General case' 0 C--O 1.272 2.256 0 N-CA-C 118.205 2.668 . . . . 0.0 118.205 170.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.462 HD21 HG12 ' B' ' 19' ' ' ILE . 10.5 mt -86.38 -23.08 26.27 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.393 -0.817 . . . . 0.0 109.505 171.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.0 t -108.86 151.8 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 O-C-N 125.314 1.634 . . . . 0.0 112.002 169.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.501 ' HG2' ' HB2' ' B' ' 81' ' ' SER . 18.7 ptmt -132.5 161.39 33.88 Favored 'General case' 0 N--CA 1.501 2.093 0 CA-C-N 114.808 -1.087 . . . . 0.0 113.391 158.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . 0.411 ' HB2' ' CE2' ' B' ' 80' ' ' TYR . . . -96.95 171.59 8.4 Favored 'General case' 0 C--O 1.265 1.908 0 CA-C-N 113.475 -1.693 . . . . 0.0 110.18 159.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 48.4 pttt . . . . . 0 N--CA 1.488 1.457 1 C-N-CA 135.453 5.501 . . . . 0.0 111.279 164.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 36.5 mtm . . . . . 0 N--CA 1.51 2.575 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.418 ' HA ' ' HB2' ' B' ' 41' ' ' SER 0.263 43.3 mm -86.63 156.92 3.3 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 161.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . 0.411 ' CE2' ' HB2' ' B' ' 71' ' ' ALA . 53.6 m-85 -127.12 149.98 49.7 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 126.827 2.051 . . . . 0.0 113.157 179.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . 0.501 ' HB2' ' HG2' ' B' ' 70' ' ' LYS . 58.1 m -143.81 156.24 44.41 Favored 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 128.925 2.89 . . . . 0.0 110.321 -170.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 mt -48.57 141.85 6.58 Favored 'General case' 0 C--O 1.261 1.661 0 O-C-N 119.952 -1.717 . . . . 0.0 110.791 147.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -65.47 -41.97 92.76 Favored 'General case' 0 CA--C 1.492 -1.26 0 O-C-N 120.265 -1.522 . . . . 0.0 114.442 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -167.53 -175.45 2.84 Favored 'General case' 0 C--O 1.248 0.998 0 C-N-CA 118.105 -1.438 . . . . 0.0 112.048 158.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.8 pp -64.57 -2.59 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 C-N-CA 127.094 2.157 . . . . 0.0 112.009 -172.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -72.42 -69.21 0.42 Allowed 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 123.492 2.86 . . . . 0.0 111.96 172.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.422 ' HA ' ' HB3' ' B' ' 90' ' ' MET . 3.2 m -77.05 -15.8 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.339 0 CA-C-N 124.284 3.22 . . . . 0.0 112.652 -177.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.07 -49.75 65.77 Favored 'General case' 1 CA--C 1.642 4.506 0 C-N-CA 128.949 2.9 . . . . 0.0 106.254 161.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 89.0 m -77.4 -33.3 55.08 Favored 'General case' 0 C--N 1.285 -2.205 0 CA-C-O 116.947 -1.502 . . . . 0.0 112.079 -172.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . 0.422 ' HB3' ' HA ' ' B' ' 87' ' ' VAL . 14.7 tmm? -57.89 -51.41 69.74 Favored 'General case' 0 N--CA 1.512 2.672 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 162.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' B' ' 32' ' ' MET . 5.4 tt -66.61 -54.28 25.15 Favored 'General case' 0 N--CA 1.49 1.535 1 CA-C-O 110.932 -4.366 . . . . 0.0 108.605 178.482 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -52.73 -34.28 51.96 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 124.679 3.4 . . . . 0.0 111.492 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -82.69 -12.75 57.36 Favored 'General case' 0 C--O 1.252 1.214 0 C-N-CA 126.362 1.865 . . . . 0.0 113.083 -177.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.64 -45.46 19.02 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.545 1.938 . . . . 0.0 107.362 172.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 2.8 mm -59.37 -43.51 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 120.868 -1.145 . . . . 0.0 108.268 169.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -64.18 -32.24 73.74 Favored 'General case' 0 CA--C 1.585 2.3 0 O-C-N 121.24 -0.912 . . . . 0.0 112.8 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -70.75 -40.73 72.52 Favored 'General case' 0 N--CA 1.424 -1.754 0 C-N-CA 117.433 -1.707 . . . . 0.0 113.651 171.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.57 -23.99 66.35 Favored 'General case' 0 N--CA 1.533 3.702 0 N-CA-C 119.115 3.006 . . . . 0.0 119.115 168.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -128.35 85.31 2.32 Favored 'General case' 0 C--N 1.372 1.577 0 O-C-N 127.101 2.751 . . . . 0.0 108.305 -170.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 39.7 m170 . . . . . 0 CA--C 1.586 2.348 0 O-C-N 127.634 3.084 . . . . 0.0 113.54 176.848 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.525 3.28 0 CA-C-O 118.634 -0.698 . . . . 0.0 112.159 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 49.84 -34.52 0.0 OUTLIER 'General case' 0 N--CA 1.523 3.223 1 N-CA-C 122.537 4.273 . . . . 0.0 122.537 -172.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.1 p -147.03 -37.92 0.21 Allowed 'General case' 0 C--O 1.273 2.325 0 C-N-CA 126.575 1.95 . . . . 0.0 115.347 -174.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.44 -31.05 70.99 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-O 115.558 -2.163 . . . . 0.0 113.759 -163.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -58.39 -18.59 29.1 Favored 'General case' 0 C--O 1.204 -1.295 0 CA-C-N 123.523 2.874 . . . . 0.0 110.009 176.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -93.17 -23.6 18.52 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 127.536 2.334 . . . . 0.0 112.903 -175.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.5 t -99.09 -40.68 9.15 Favored 'Isoleucine or valine' 0 C--O 1.247 0.939 0 C-N-CA 127.975 2.51 . . . . 0.0 109.28 -165.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.1 p -40.27 -38.25 0.76 Allowed 'General case' 0 C--O 1.218 -0.564 0 O-C-N 117.069 -3.52 . . . . 0.0 113.179 154.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -58.56 -24.18 60.18 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 119.88 1.218 . . . . 0.0 113.662 175.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.3 pp -104.95 17.64 5.42 Favored 'Isoleucine or valine' 0 C--O 1.26 1.612 0 O-C-N 119.084 -2.26 . . . . 0.0 113.606 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -106.73 -43.62 4.66 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.409 1.884 . . . . 0.0 111.454 161.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -59.46 61.91 0.0 OUTLIER 'General case' 0 C--N 1.28 -2.446 0 C-N-CA 130.324 3.45 . . . . 0.0 112.753 147.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -165.39 -38.9 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.107 1 CA-C-N 107.343 -4.48 . . . . 0.0 106.709 173.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.482 HD13 ' CG ' ' B' ' 20' ' ' PHE . 4.9 mt -81.44 -135.12 0.03 OUTLIER 'General case' 0 N--CA 1.524 3.246 0 C-N-CA 131.436 3.894 . . . . 0.0 110.151 -176.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.86 14.89 32.49 Favored Glycine 0 CA--C 1.555 2.552 0 O-C-N 127.885 3.24 . . . . 0.0 117.743 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -130.75 171.12 13.47 Favored 'General case' 0 C--N 1.396 2.627 0 O-C-N 125.86 1.564 . . . . 0.0 111.972 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -89.76 -70.57 0.66 Allowed 'General case' 0 C--N 1.363 1.181 0 C-N-CA 126.682 1.993 . . . . 0.0 112.317 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -65.73 -52.25 52.7 Favored 'General case' 0 CA--C 1.578 2.035 0 O-C-N 125.515 1.759 . . . . 0.0 110.331 -168.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.587 ' HG2' HD21 ' A' ' 63' ' ' LEU . 32.6 ttm180 -22.44 -34.41 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.417 0 C-N-CA 131.353 3.861 . . . . 0.0 117.137 167.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.536 HG13 HD11 ' B' ' 13' ' ' LEU . 16.2 pt -118.02 -14.46 9.63 Favored 'Isoleucine or valine' 0 C--O 1.263 1.806 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.8 ttp85 -63.72 -26.05 68.48 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 125.67 2.653 . . . . 0.0 111.672 161.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.2 mt -65.35 -51.62 62.18 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.294 0 O-C-N 119.004 -2.31 . . . . 0.0 112.487 167.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.564 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 29.2 mtp -83.93 -44.76 13.9 Favored 'General case' 0 C--O 1.261 1.67 0 O-C-N 119.73 -1.856 . . . . 0.0 115.562 -170.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -21.39 -52.01 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 117.924 2.565 . . . . 0.0 117.924 145.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.89 -57.1 4.12 Favored 'General case' 0 N--CA 1.517 2.879 0 C-N-CA 119.565 -0.854 . . . . 0.0 112.031 179.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.444 HD23 ' H ' ' A' ' 40' ' ' ALA . 73.5 mt -52.59 -22.87 5.47 Favored 'General case' 0 C--O 1.19 -2.06 0 N-CA-C 117.04 2.237 . . . . 0.0 117.04 -173.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.256 8.5 m -74.78 -10.32 59.4 Favored 'General case' 0 C--O 1.182 -2.462 0 CA-C-N 110.889 -2.868 . . . . 0.0 112.83 177.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.2 m -140.04 -23.11 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 CA-C-N 115.248 -0.887 . . . . 0.0 112.803 -174.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.2 m -161.53 95.77 1.02 Allowed 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 124.918 2.294 . . . . 0.0 109.453 156.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -55.76 142.82 33.17 Favored 'General case' 0 N--CA 1.522 3.135 0 N-CA-C 117.537 2.421 . . . . 0.0 117.537 -176.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.444 ' H ' HD23 ' A' ' 35' ' ' LEU . . . -142.95 166.69 23.96 Favored 'General case' 0 C--N 1.421 3.681 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 173.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.5 t -96.8 154.0 17.55 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 112.019 -2.355 . . . . 0.0 110.544 169.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.424 ' CG2' HD23 ' A' ' 60' ' ' LEU . 38.6 t -12.8 -64.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.267 1.986 0 C-N-CA 130.023 3.329 . . . . 0.0 119.759 171.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.76 -40.75 93.32 Favored Glycine 0 C--O 1.276 2.758 0 N-CA-C 118.972 2.349 . . . . 0.0 118.972 171.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -89.83 -24.43 21.42 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 120.288 2.044 . . . . 0.0 105.589 -173.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.3 mt -50.84 -61.51 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.266 0 CA-C-N 118.676 0.671 . . . . 0.0 109.973 158.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.451 ' HA ' ' HB2' ' A' ' 51' ' ' LEU . 29.5 m -58.44 -16.28 14.37 Favored 'General case' 0 N--CA 1.424 -1.768 0 C-N-CA 129.072 2.949 . . . . 0.0 112.033 178.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -89.92 -61.03 1.78 Allowed 'General case' 0 N--CA 1.506 2.339 0 CA-C-O 114.546 -2.645 . . . . 0.0 109.128 172.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -77.23 -27.96 53.55 Favored 'General case' 0 C--N 1.285 -2.222 0 C-N-CA 128.148 2.579 . . . . 0.0 107.029 -163.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 mp -96.79 -4.45 40.48 Favored 'General case' 0 CA--C 1.558 1.265 1 O-C-N 114.836 -4.915 . . . . 0.0 108.557 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.265 30.8 m120 47.13 65.14 1.32 Allowed 'General case' 0 N--CA 1.425 -1.679 0 O-C-N 117.714 -3.117 . . . . 0.0 113.16 -174.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 46' ' ' SER . 79.9 mt -108.22 -133.25 0.33 Allowed 'General case' 0 C--N 1.391 2.39 0 CA-C-N 111.679 -2.51 . . . . 0.0 113.798 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.1 p -159.02 151.49 21.55 Favored 'General case' 0 N--CA 1.52 3.046 0 CA-C-O 117.793 -1.099 . . . . 0.0 109.02 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -60.24 -31.98 70.7 Favored 'General case' 0 N--CA 1.509 2.502 0 O-C-N 125.499 1.749 . . . . 0.0 111.288 174.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . 0.252 29.8 m -63.39 -30.46 71.58 Favored 'General case' 0 N--CA 1.525 3.299 0 C-N-CA 128.675 2.79 . . . . 0.0 110.36 170.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -80.38 -43.75 20.56 Favored 'General case' 0 CA--C 1.559 1.314 0 CA-C-O 128.303 3.906 . . . . 0.0 105.895 -171.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.7 t -91.16 -37.04 8.68 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.608 1 O-C-N 116.143 -4.098 . . . . 0.0 113.643 -158.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.7 m -70.75 18.73 0.06 Allowed 'General case' 0 CA--C 1.555 1.166 0 O-C-N 119.673 -1.892 . . . . 0.0 115.754 166.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -122.81 -50.02 1.97 Allowed 'General case' 0 C--O 1.25 1.118 0 C-N-CA 128.064 2.546 . . . . 0.0 108.431 175.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -90.34 -41.03 11.74 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 130.048 3.339 . . . . 0.0 110.896 -171.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.424 HD23 ' CG2' ' A' ' 42' ' ' VAL . 21.9 tp -67.82 -34.77 77.4 Favored 'General case' 0 CA--C 1.56 1.361 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 171.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -65.67 -45.88 81.23 Favored 'General case' 0 C--O 1.189 -2.126 0 CA-C-O 114.618 -2.61 . . . . 0.0 113.201 170.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.537 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -57.44 -52.79 63.96 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 125.203 1.564 . . . . 0.0 108.899 179.699 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.587 HD21 ' HG2' ' A' ' 28' ' ' ARG . 38.2 mt -58.68 -37.54 76.27 Favored 'General case' 0 CA--C 1.475 -1.93 0 CA-C-O 126.939 3.257 . . . . 0.0 111.49 -171.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -52.77 -54.9 27.48 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 131.491 3.916 . . . . 0.0 109.155 173.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.4 m -59.57 -26.67 65.59 Favored 'General case' 0 CA--C 1.582 2.198 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 177.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.266 33.7 m -106.22 10.97 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.629 0 CA-C-O 122.929 1.347 . . . . 0.0 114.345 -175.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.7 p80 61.76 24.11 14.29 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 130.747 3.619 . . . . 0.0 116.619 173.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.3 mp -84.13 -25.28 29.8 Favored 'General case' 0 CA--C 1.499 -0.995 0 CA-C-N 112.974 -1.921 . . . . 0.0 108.291 173.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.285 2.3 t -112.45 157.43 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 130.508 3.523 . . . . 0.0 110.861 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -130.11 145.2 51.68 Favored 'General case' 0 N--CA 1.503 2.213 0 C-N-CA 127.674 2.389 . . . . 0.0 113.389 154.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -91.54 150.54 21.15 Favored 'General case' 0 CA--C 1.577 2.016 1 O-C-N 129.146 4.028 . . . . 0.0 114.848 165.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -154.5 152.52 30.19 Favored 'General case' 0 CA--C 1.494 -1.182 0 O-C-N 126.321 2.263 . . . . 0.0 113.303 163.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 . . . . . 0 N--CA 1.517 2.879 0 CA-C-O 115.868 -2.015 . . . . 0.0 109.74 -177.921 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 28.6 mtt . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 122.9 1.333 . . . . 0.0 108.063 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.5 mm -108.45 149.95 11.43 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.352 0 C-N-CA 130.537 3.535 . . . . 0.0 107.621 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -134.99 145.95 48.6 Favored 'General case' 0 C--N 1.382 2.021 0 O-C-N 120.124 -1.61 . . . . 0.0 112.499 -173.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . 0.381 20.0 m -158.52 174.52 14.96 Favored 'General case' 0 CA--C 1.483 -1.613 0 N-CA-C 120.916 3.673 . . . . 0.0 120.916 -163.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -56.1 132.27 49.82 Favored 'General case' 0 C--N 1.309 -1.187 0 C-N-CA 127.177 2.191 . . . . 0.0 113.826 166.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.07 -56.24 18.62 Favored 'General case' 0 CA--C 1.583 2.24 0 O-C-N 118.158 -2.839 . . . . 0.0 113.247 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -151.75 -179.33 7.34 Favored 'General case' 0 C--O 1.28 2.689 0 CA-C-O 113.391 -3.195 . . . . 0.0 118.144 169.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.446 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 9.3 tp -60.59 -20.58 21.38 Favored 'Isoleucine or valine' 0 C--O 1.263 1.783 0 N-CA-C 118.197 2.665 . . . . 0.0 118.197 -175.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -61.86 -45.4 93.94 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 122.067 0.937 . . . . 0.0 108.784 175.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.1 p -96.2 -28.77 3.89 Favored 'Isoleucine or valine' 0 C--O 1.175 -2.844 0 CA-C-O 115.109 -2.377 . . . . 0.0 106.467 -165.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.446 ' HB3' ' HA ' ' A' ' 85' ' ' ILE . . . -51.54 -34.31 35.87 Favored 'General case' 0 N--CA 1.507 2.421 0 CA-C-N 119.76 1.164 . . . . 0.0 113.9 154.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.7 m -82.36 -45.64 14.62 Favored 'General case' 0 CA--C 1.499 -0.992 0 O-C-N 119.906 -1.746 . . . . 0.0 112.462 175.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 39.7 ttp -49.81 -58.82 4.6 Favored 'General case' 0 CA--C 1.589 2.45 0 O-C-N 118.303 -2.748 . . . . 0.0 117.029 -175.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.564 ' CD1' ' HB2' ' A' ' 32' ' ' MET . 4.0 tt -63.34 -44.03 96.04 Favored 'General case' 0 N--CA 1.427 -1.593 0 O-C-N 125.723 1.889 . . . . 0.0 108.84 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -66.49 -26.94 67.41 Favored 'General case' 0 N--CA 1.514 2.726 0 O-C-N 119.963 -1.711 . . . . 0.0 112.513 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -84.98 -17.22 38.29 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-N 120.657 1.571 . . . . 0.0 113.936 172.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.437 ' C ' ' H ' ' A' ' 96' ' ' HIS . . . -84.29 -45.81 12.45 Favored 'General case' 0 CA--C 1.606 3.121 0 CA-C-O 114.882 -2.485 . . . . 0.0 110.055 176.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.46 HD11 HD22 ' B' ' 13' ' ' LEU . 0.3 OUTLIER -47.77 -8.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.392 2.425 0 C-N-CA 130.622 3.569 . . . . 0.0 114.362 160.778 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.437 ' H ' ' C ' ' A' ' 94' ' ' ALA . 0.8 OUTLIER -107.89 -18.64 13.75 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 125.871 1.982 . . . . 0.0 111.668 -170.043 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . 0.285 7.9 t60 -101.57 -18.01 16.11 Favored 'General case' 0 CA--C 1.559 1.317 0 O-C-N 118.002 -2.936 . . . . 0.0 113.837 169.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.437 ' HB1' ' HB2' ' B' ' 15' ' ' ARG . . . -44.56 -28.8 0.63 Allowed 'General case' 0 C--N 1.385 2.134 0 C-N-CA 126.658 1.983 . . . . 0.0 113.113 167.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -167.32 153.6 8.0 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 131.679 3.991 . . . . 0.0 107.484 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -122.46 71.49 37.02 Favored Pre-proline 0 CA--C 1.573 1.852 0 C-N-CA 126.213 1.805 . . . . 0.0 111.511 177.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo . . . . . 0 N--CA 1.409 -3.497 1 C-N-CA 125.999 4.466 . . . . 0.0 114.292 -165.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 10.6 p . . . . . 0 CA--C 1.587 2.384 0 CA-C-O 117.552 -1.213 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 52.64 -31.06 0.01 OUTLIER 'General case' 1 N--CA 1.562 5.145 0 C-N-CA 130.146 3.378 . . . . 0.0 119.303 -167.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.4 p -137.13 -48.95 0.61 Allowed 'General case' 0 N--CA 1.527 3.418 0 O-C-N 118.06 -2.9 . . . . 0.0 108.717 -151.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.536 HD11 HG13 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -50.66 -46.95 58.74 Favored 'General case' 0 C--O 1.204 -1.312 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 170.556 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -63.59 2.62 0.42 Allowed 'General case' 0 C--O 1.244 0.813 0 N-CA-C 118.641 2.83 . . . . 0.0 118.641 171.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.437 ' HB2' ' HB1' ' A' ' 98' ' ' ALA 0.402 3.0 mmp_? -127.62 -13.58 5.34 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 126.944 2.098 . . . . 0.0 115.039 178.067 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.57 HG12 HD12 ' B' ' 19' ' ' ILE . 3.2 m -98.93 -12.15 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 117.525 2.417 . . . . 0.0 117.525 158.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.6 p -65.61 -33.94 77.07 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 119.633 -1.917 . . . . 0.0 109.731 168.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -46.34 -45.81 17.85 Favored 'General case' 0 CA--C 1.575 1.927 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 155.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.57 HD12 HG12 ' B' ' 16' ' ' VAL . 71.3 mt -82.52 -59.7 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.069 0 O-C-N 119.566 -1.958 . . . . 0.0 111.269 -172.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.482 ' CG ' HD13 ' A' ' 23' ' ' LEU . 6.3 m-30 -79.14 11.97 2.53 Favored 'General case' 0 CA--C 1.595 2.696 0 C-N-CA 124.144 0.978 . . . . 0.0 111.964 -173.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 40.9 pttt -96.41 -44.28 7.28 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-N 119.777 1.171 . . . . 0.0 114.123 152.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.29 -21.36 48.71 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 127.1 2.16 . . . . 0.0 111.271 -177.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 16.4 mt -63.57 -0.46 0.95 Allowed 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.856 2.062 . . . . 0.0 109.748 169.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.55 41.43 0.81 Allowed Glycine 0 N--CA 1.488 2.164 0 CA-C-O 114.817 -3.213 . . . . 0.0 119.858 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -164.33 119.9 1.52 Allowed 'General case' 0 CA--C 1.568 1.662 0 O-C-N 127.774 2.691 . . . . 0.0 103.752 157.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -45.4 -32.3 2.04 Favored 'General case' 0 N--CA 1.425 -1.716 0 N-CA-C 120.291 3.441 . . . . 0.0 120.291 178.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -66.19 -43.74 85.95 Favored 'General case' 0 CA--C 1.57 1.724 1 O-C-N 115.917 -4.24 . . . . 0.0 111.41 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -52.22 -36.69 52.92 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 126.703 2.001 . . . . 0.0 113.549 168.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 40.8 mm -81.74 -38.32 15.92 Favored 'Isoleucine or valine' 0 C--O 1.251 1.18 0 CA-C-O 126.601 3.096 . . . . 0.0 112.98 -175.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . 0.278 49.2 ttt-85 -67.66 -27.05 66.53 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-N 111.173 -2.739 . . . . 0.0 112.717 172.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 24.0 mt -71.75 -47.81 54.82 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 CA-C-O 113.583 -3.103 . . . . 0.0 110.065 163.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . 0.49 ' HB2' ' CD1' ' B' ' 91' ' ' LEU . 77.5 mtm -79.49 -35.55 40.01 Favored 'General case' 0 C--N 1.376 1.731 1 CA-C-N 126.143 4.065 . . . . 0.0 116.251 -169.556 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -26.4 -65.02 0.07 Allowed 'General case' 0 C--O 1.189 -2.113 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 139.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.588 HD13 ' N ' ' B' ' 35' ' ' LEU . 0.4 OUTLIER -65.44 -48.6 72.19 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-O 124.19 1.948 . . . . 0.0 113.969 -175.367 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.588 ' N ' HD13 ' B' ' 34' ' ' LEU . 92.0 mt -55.34 -26.9 43.7 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 117.969 -2.957 . . . . 0.0 117.115 177.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 1.9 p -62.54 -38.26 89.33 Favored 'General case' 0 CA--C 1.598 2.814 0 C-N-CA 131.193 3.797 . . . . 0.0 111.73 173.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . 0.295 5.6 m -91.49 -48.27 13.92 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.424 0 C-N-CA 131.346 3.858 . . . . 0.0 119.125 171.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 5.0 t -155.47 97.3 1.86 Allowed 'General case' 0 C--O 1.215 -0.75 0 O-C-N 124.721 1.263 . . . . 0.0 110.694 175.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -44.19 136.6 3.85 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 124.231 1.967 . . . . 0.0 109.117 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.583 ' H ' ' CD2' ' B' ' 35' ' ' LEU . . . -138.99 150.35 45.75 Favored 'General case' 0 CA--C 1.586 2.331 0 O-C-N 119.753 -1.842 . . . . 0.0 108.988 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . 0.279 7.5 t -93.69 164.24 13.23 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 126.797 2.039 . . . . 0.0 113.329 165.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 33.9 t -26.95 -70.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.258 1.505 0 N-CA-C 117.228 2.307 . . . . 0.0 117.228 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.18 -34.2 83.21 Favored Glycine 0 N--CA 1.486 2.001 0 C-N-CA 127.615 2.531 . . . . 0.0 112.405 -175.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -72.46 -48.32 41.87 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 119.398 -2.236 . . . . 0.0 114.508 170.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 68.9 mt -44.5 -56.63 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.372 0 O-C-N 118.465 -2.647 . . . . 0.0 107.436 172.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 63.4 m -56.71 -25.28 53.94 Favored 'General case' 0 N--CA 1.518 2.961 0 CA-C-N 112.828 -1.987 . . . . 0.0 116.28 -171.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -82.59 -62.15 1.69 Allowed 'General case' 0 C--O 1.282 2.809 0 C-N-CA 130.356 3.462 . . . . 0.0 108.321 171.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -68.18 -36.71 80.03 Favored 'General case' 0 N--CA 1.492 1.638 1 O-C-N 115.713 -4.367 . . . . 0.0 112.164 -167.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 6.1 mp -103.87 -2.46 26.21 Favored 'General case' 0 CA--C 1.609 3.244 0 C-N-CA 123.583 0.753 . . . . 0.0 109.036 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 29.9 m120 70.03 61.58 0.24 Allowed 'General case' 0 N--CA 1.467 0.392 1 O-C-N 113.606 -5.684 . . . . 0.0 111.765 167.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 13.9 mt -132.61 164.04 27.56 Favored 'General case' 0 N--CA 1.537 3.88 0 CA-C-O 114.667 -2.587 . . . . 0.0 115.344 171.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 89.2 p -74.28 148.01 41.83 Favored 'General case' 0 CA--C 1.494 -1.21 0 CA-C-N 121.403 1.91 . . . . 0.0 112.525 174.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -68.66 -38.48 80.45 Favored 'General case' 0 CA--C 1.475 -1.929 0 CA-C-N 120.089 1.313 . . . . 0.0 107.47 -168.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.7 p -80.45 -2.34 45.41 Favored 'General case' 0 N--CA 1.432 -1.325 0 O-C-N 120.026 -1.671 . . . . 0.0 111.231 -176.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -82.88 -24.87 33.0 Favored 'General case' 0 C--O 1.263 1.775 0 O-C-N 117.01 -3.556 . . . . 0.0 114.513 151.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . 0.379 13.3 t -86.62 -25.81 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 N-CA-C 115.308 1.596 . . . . 0.0 115.308 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 25.6 m -69.11 16.22 0.05 Allowed 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 114.168 -3.013 . . . . 0.0 117.668 157.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -132.23 -46.17 0.92 Allowed 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 116.57 -1.681 . . . . 0.0 110.107 173.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -57.12 -48.35 78.87 Favored 'General case' 0 C--O 1.185 -2.334 0 CA-C-O 126.675 3.131 . . . . 0.0 116.195 174.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.53 HD21 ' CG ' ' B' ' 80' ' ' TYR . 9.9 tp -55.38 -54.06 48.36 Favored 'General case' 0 C--O 1.255 1.376 0 CA-C-N 112.355 -2.202 . . . . 0.0 111.055 171.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -63.92 -25.79 68.3 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 128.132 2.573 . . . . 0.0 113.341 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.52 HD13 ' N ' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -77.47 -53.03 8.12 Favored 'General case' 0 CA--C 1.569 1.675 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 173.642 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.52 ' N ' HD13 ' B' ' 62' ' ' LEU . 18.2 mt -64.56 -34.67 78.78 Favored 'General case' 0 CA--C 1.569 1.689 0 O-C-N 119.104 -2.247 . . . . 0.0 110.579 -167.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 50.2 tttt -58.73 -49.92 75.81 Favored 'General case' 0 CA--C 1.579 2.082 1 CA-C-N 108.244 -4.071 . . . . 0.0 110.364 173.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 4.7 m -78.22 6.01 9.06 Favored 'General case' 0 C--N 1.277 -2.552 0 O-C-N 126.421 2.326 . . . . 0.0 114.56 173.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 1.3 m -117.3 11.52 7.3 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 O-C-N 127.013 2.696 . . . . 0.0 113.415 158.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . 0.564 4.6 m80 70.93 13.88 6.96 Favored 'General case' 0 C--O 1.208 -1.131 0 N-CA-C 117.969 2.581 . . . . 0.0 117.969 170.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 19.3 mt -85.64 -15.94 40.79 Favored 'General case' 0 CA--C 1.572 1.795 1 CA-C-O 128.506 4.003 . . . . 0.0 113.895 175.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.61 162.35 38.79 Favored 'Isoleucine or valine' 0 C--O 1.284 2.885 1 C-N-CA 131.872 4.069 . . . . 0.0 107.359 -171.464 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.456 ' HD2' ' HA ' ' B' ' 83' ' ' ASP . 8.7 ptmt -139.01 153.79 48.17 Favored 'General case' 0 CA--C 1.57 1.734 0 CA-C-O 124.671 2.176 . . . . 0.0 109.964 162.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . 0.537 ' HB2' ' CE2' ' B' ' 80' ' ' TYR . . . -98.03 127.71 44.14 Favored 'General case' 0 C--N 1.389 2.304 0 O-C-N 118.423 -2.673 . . . . 0.0 109.55 164.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 46.9 pttt . . . . . 0 N--CA 1.487 1.401 0 N-CA-C 106.549 -1.649 . . . . 0.0 106.549 169.729 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 15.4 mtt . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 120.535 0.207 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.9 mm -99.55 143.32 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.583 0 C-N-CA 128.882 2.873 . . . . 0.0 103.368 174.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . 0.537 ' CE2' ' HB2' ' B' ' 71' ' ' ALA . 46.2 m-85 -122.14 130.76 53.52 Favored 'General case' 0 C--O 1.266 1.955 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 14.9 m -143.99 154.75 43.6 Favored 'General case' 0 N--CA 1.499 2.003 0 C-N-CA 126.566 1.946 . . . . 0.0 109.296 -169.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.516 HD13 ' HB2' ' B' ' 88' ' ' ALA . 81.2 mt -62.26 151.86 35.17 Favored 'General case' 0 CA--C 1.574 1.873 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 177.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . 0.456 ' HA ' ' HD2' ' B' ' 70' ' ' LYS . 24.1 t0 -70.65 -39.77 73.44 Favored 'General case' 0 C--O 1.276 2.453 1 O-C-N 115.747 -4.346 . . . . 0.0 110.033 -164.28 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . 0.255 3.0 p30 -159.6 172.98 16.8 Favored 'General case' 1 N--CA 1.541 4.1 0 C-N-CA 126.451 1.9 . . . . 0.0 112.142 162.252 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -10.22 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.925 0 N-CA-C 120.882 3.66 . . . . 0.0 120.882 176.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -68.74 -57.47 5.6 Favored 'General case' 0 N--CA 1.414 -2.253 0 O-C-N 120.091 -1.631 . . . . 0.0 108.842 -173.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 1.4 m -79.57 -12.66 13.21 Favored 'Isoleucine or valine' 0 C--O 1.256 1.415 0 O-C-N 119.408 -2.057 . . . . 0.0 109.464 -174.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.516 ' HB2' HD13 ' B' ' 82' ' ' LEU . . . -56.78 -37.76 71.54 Favored 'General case' 0 CA--C 1.573 1.864 0 O-C-N 117.689 -3.132 . . . . 0.0 113.399 160.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 6.9 m -97.27 -31.27 12.5 Favored 'General case' 0 N--CA 1.415 -2.201 0 CA-C-O 113.399 -3.191 . . . . 0.0 108.445 -169.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -47.81 -65.26 0.6 Allowed 'General case' 0 C--O 1.279 2.625 0 O-C-N 125.629 1.83 . . . . 0.0 110.586 155.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.49 ' CD1' ' HB2' ' B' ' 32' ' ' MET . 7.0 tt -62.94 -48.41 79.02 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-O 114.88 -2.486 . . . . 0.0 109.116 -171.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -45.56 -41.57 10.05 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-N 123.377 2.808 . . . . 0.0 110.742 173.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -89.7 -19.77 24.41 Favored 'General case' 0 CA--C 1.578 2.021 0 CA-C-N 112.871 -1.968 . . . . 0.0 114.28 -174.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.26 -41.52 80.99 Favored 'General case' 0 C--O 1.203 -1.356 0 O-C-N 119.031 -2.293 . . . . 0.0 109.989 164.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mm -57.6 -47.94 84.3 Favored 'Isoleucine or valine' 0 CA--C 1.605 3.059 0 N-CA-C 102.851 -3.018 . . . . 0.0 102.851 167.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -68.64 -30.02 68.64 Favored 'General case' 0 C--O 1.267 1.988 0 CA-C-O 116.194 -1.86 . . . . 0.0 114.317 -166.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -77.49 -5.96 51.83 Favored 'General case' 0 C--O 1.284 2.911 0 CA-C-O 124.033 1.873 . . . . 0.0 114.157 175.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . 0.252 . . -109.57 -5.73 15.61 Favored 'General case' 0 C--O 1.199 -1.568 0 C-N-CA 126.682 1.993 . . . . 0.0 115.452 167.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -130.34 75.68 1.67 Allowed 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 127.816 2.446 . . . . 0.0 108.257 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 27.0 m170 . . . . . 0 C--N 1.316 -0.874 0 C-N-CA 117.032 -1.867 . . . . 0.0 109.43 -172.773 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.9 p . . . . . 0 C--O 1.207 -1.166 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 53.62 -52.03 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.376 1 C-N-CA 132.134 4.174 . . . . 0.0 117.465 174.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 58.3 p -125.78 -35.02 2.55 Favored 'General case' 0 C--O 1.189 -2.126 1 C-N-CA 132.385 4.274 . . . . 0.0 113.317 -175.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -57.4 -29.53 64.18 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 126.458 1.903 . . . . 0.0 114.369 -160.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -79.91 6.62 10.71 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 127.59 2.356 . . . . 0.0 112.213 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -124.32 -3.12 7.98 Favored 'General case' 0 N--CA 1.423 -1.809 0 C-N-CA 126.122 1.769 . . . . 0.0 112.079 160.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.605 HG12 ' CZ ' ' A' ' 20' ' ' PHE . 3.0 t -90.85 -38.53 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 CA-C-O 116.285 -1.817 . . . . 0.0 110.563 172.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.2 p -43.39 -39.63 3.3 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-N 123.066 2.666 . . . . 0.0 108.746 161.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -69.66 -22.77 63.42 Favored 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 130.094 3.358 . . . . 0.0 111.587 -169.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.38 2.2 pp -100.39 8.87 8.4 Favored 'Isoleucine or valine' 0 C--N 1.369 1.423 0 N-CA-C 116.622 2.082 . . . . 0.0 116.622 165.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.605 ' CZ ' HG12 ' A' ' 16' ' ' VAL . 13.5 m-85 -101.73 -35.17 9.17 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 119.085 2.995 . . . . 0.0 119.085 165.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -68.05 48.58 0.05 Allowed 'General case' 0 N--CA 1.49 1.529 1 C-N-CA 132.719 4.408 . . . . 0.0 112.02 152.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -155.55 -30.64 0.1 Allowed 'General case' 0 C--O 1.177 -2.758 1 O-C-N 131.266 5.354 . . . . 0.0 112.497 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.4 mt -86.38 -109.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 130.634 3.574 . . . . 0.0 109.839 -172.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.81 -32.53 0.01 OUTLIER Glycine 0 C--N 1.387 3.411 1 C-N-CA 131.034 4.159 . . . . 0.0 122.016 171.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -108.29 -174.47 2.53 Favored 'General case' 0 C--N 1.4 2.765 0 C-N-CA 124.236 1.014 . . . . 0.0 113.233 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -107.63 -65.88 1.07 Allowed 'General case' 0 N--CA 1.426 -1.667 0 C-N-CA 127.927 2.491 . . . . 0.0 112.475 -156.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -70.77 -39.17 73.39 Favored 'General case' 0 C--O 1.17 -3.085 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -169.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -25.07 -37.59 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.964 1 C-N-CA 131.944 4.098 . . . . 0.0 118.199 167.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.323 1.5 pt -123.43 -14.68 5.81 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.103 1 C-N-CA 132.814 4.446 . . . . 0.0 112.745 -175.532 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -60.25 -26.01 66.12 Favored 'General case' 0 N--CA 1.494 1.743 1 CA-C-O 111.354 -4.165 . . . . 0.0 108.346 153.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.5 mt -75.5 -48.58 30.11 Favored 'Isoleucine or valine' 0 C--N 1.348 0.527 0 N-CA-C 118.202 2.667 . . . . 0.0 118.202 163.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.478 ' HB3' HD13 ' A' ' 91' ' ' LEU 0.275 25.7 mtp -67.26 -40.06 86.18 Favored 'General case' 0 CA--C 1.599 2.848 0 O-C-N 119.793 -1.817 . . . . 0.0 115.201 179.614 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -28.55 -47.6 0.05 Allowed 'General case' 0 CA--C 1.487 -1.443 0 O-C-N 117.141 -3.475 . . . . 0.0 118.683 149.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -81.76 -30.09 32.55 Favored 'General case' 0 C--O 1.198 -1.612 0 C-N-CA 125.187 1.395 . . . . 0.0 113.744 177.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.475 HD22 ' H ' ' A' ' 40' ' ' ALA . 49.8 mt -72.87 -6.59 46.06 Favored 'General case' 0 C--O 1.176 -2.813 0 CA-C-O 123.648 1.69 . . . . 0.0 109.154 177.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.314 5.7 m -80.47 -15.23 57.24 Favored 'General case' 0 C--N 1.271 -2.844 0 C-N-CA 131.386 3.874 . . . . 0.0 114.586 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.6 m -138.95 -43.74 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.25 1.087 0 C-N-CA 129.169 2.988 . . . . 0.0 115.349 -167.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.2 m -155.6 78.45 1.0 Allowed 'General case' 0 C--O 1.198 -1.644 0 C-N-CA 126.891 2.076 . . . . 0.0 112.44 -179.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -67.39 146.15 54.33 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 120.315 3.45 . . . . 0.0 120.315 -166.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.475 ' H ' HD22 ' A' ' 35' ' ' LEU . . . -146.38 172.63 13.21 Favored 'General case' 0 N--CA 1.423 -1.824 0 N-CA-C 118.503 2.779 . . . . 0.0 118.503 -170.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.4 t -100.8 155.63 17.81 Favored 'General case' 0 C--O 1.21 -0.994 0 C-N-CA 128.665 2.786 . . . . 0.0 108.854 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.0 t -28.61 -56.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.261 1.665 0 C-N-CA 131.003 3.721 . . . . 0.0 115.146 172.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.22 -40.47 61.17 Favored Glycine 0 N--CA 1.429 -1.785 0 O-C-N 117.912 -2.992 . . . . 0.0 113.705 -176.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -70.92 -41.27 71.42 Favored 'General case' 0 N--CA 1.515 2.792 0 O-C-N 119.145 -2.386 . . . . 0.0 112.927 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.6 mt -50.19 -65.27 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.513 2.678 0 C-N-CA 128.563 2.745 . . . . 0.0 105.374 169.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.8 m -55.02 -13.46 1.14 Allowed 'General case' 0 N--CA 1.502 2.172 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 -171.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -92.68 -55.95 3.19 Favored 'General case' 0 N--CA 1.514 2.726 0 CA-C-O 125.541 2.591 . . . . 0.0 114.669 161.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -64.56 -41.73 96.12 Favored 'General case' 0 N--CA 1.399 -2.986 1 O-C-N 115.693 -4.379 . . . . 0.0 111.811 -171.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mp -96.31 3.86 52.7 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-N 114.369 -1.287 . . . . 0.0 109.729 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 m120 44.34 62.04 2.16 Favored 'General case' 0 C--O 1.265 1.882 0 N-CA-C 116.542 2.053 . . . . 0.0 116.542 -174.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.398 35.9 mt -95.35 -143.0 0.26 Allowed 'General case' 0 C--N 1.384 2.084 0 N-CA-C 117.981 2.586 . . . . 0.0 117.981 173.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 98.3 p -135.78 153.51 51.51 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 118.68 -2.513 . . . . 0.0 110.967 157.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -52.48 -48.53 65.86 Favored 'General case' 0 C--O 1.193 -1.872 0 CA-C-N 118.69 0.677 . . . . 0.0 109.806 171.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.84 -35.43 32.43 Favored 'General case' 0 C--N 1.369 1.448 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 174.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -74.43 -47.89 30.92 Favored 'General case' 0 C--O 1.269 2.088 0 C-N-CA 115.857 -2.337 . . . . 0.0 115.937 170.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.3 t -89.25 -26.92 5.35 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.227 0 N-CA-C 114.501 1.296 . . . . 0.0 114.501 -166.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.0 m -69.24 11.19 0.24 Allowed 'General case' 0 N--CA 1.501 2.105 0 CA-C-O 124.837 2.256 . . . . 0.0 112.314 161.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -124.36 -42.79 2.09 Favored 'General case' 0 CA--C 1.553 1.068 1 O-C-N 116.282 -4.011 . . . . 0.0 110.063 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -92.54 -38.45 11.92 Favored 'General case' 0 N--CA 1.53 3.546 0 N-CA-C 115.697 1.739 . . . . 0.0 115.697 -174.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 tp -56.13 -42.14 76.45 Favored 'General case' 0 C--O 1.197 -1.679 0 CA-C-O 116.047 -1.93 . . . . 0.0 110.549 160.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . 0.306 72.7 tttt -65.14 -40.97 95.14 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 124.922 1.389 . . . . 0.0 114.47 176.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.27 -63.33 1.34 Allowed 'General case' 0 C--O 1.192 -1.921 0 N-CA-C 103.887 -2.635 . . . . 0.0 103.887 175.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.417 ' HA ' HG22 ' A' ' 66' ' ' VAL . 33.7 mt -58.2 -33.99 69.88 Favored 'General case' 0 CA--C 1.572 1.82 0 CA-C-O 124.527 2.108 . . . . 0.0 113.229 -169.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -65.71 -45.65 81.95 Favored 'General case' 0 N--CA 1.509 2.493 0 CA-C-N 109.552 -3.477 . . . . 0.0 111.943 176.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.2 m -62.37 -11.47 15.73 Favored 'General case' 0 C--O 1.255 1.381 0 C-N-CA 125.983 1.713 . . . . 0.0 113.159 168.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 63' ' ' LEU 0.258 27.0 m -117.73 16.74 7.26 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.415 0 CA-C-N 120.198 1.363 . . . . 0.0 109.208 175.011 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.302 9.8 p80 47.48 25.23 0.59 Allowed 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 118.329 2.715 . . . . 0.0 118.329 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.402 ' HB3' ' HE1' ' A' ' 32' ' ' MET . 9.3 mp -82.39 -27.25 32.19 Favored 'General case' 0 C--N 1.371 1.526 0 CA-C-O 115.412 -2.233 . . . . 0.0 105.937 160.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.0 t -111.32 161.85 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.254 0 O-C-N 128.1 3.375 . . . . 0.0 110.858 174.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -148.06 140.55 24.45 Favored 'General case' 0 C--O 1.266 1.943 1 O-C-N 129.226 4.079 . . . . 0.0 109.152 178.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.719 ' HB2' ' CE2' ' A' ' 80' ' ' TYR . . . -106.3 162.97 13.21 Favored 'General case' 0 C--N 1.286 -2.18 0 C-N-CA 127.983 2.513 . . . . 0.0 114.174 172.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -140.23 149.47 42.92 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 131.468 3.907 . . . . 0.0 105.293 168.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 . . . . . 0 C--N 1.305 -1.337 0 C-N-CA 126.818 2.047 . . . . 0.0 116.278 163.649 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.382 -3.84 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 48.5 mm -122.87 115.16 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.222 0 CA-C-O 114.745 -2.55 . . . . 0.0 105.822 -171.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.719 ' CE2' ' HB2' ' A' ' 71' ' ' ALA . 77.1 m-85 -110.1 146.37 35.53 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 123.17 2.714 . . . . 0.0 111.145 -158.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.4 m -142.42 165.18 28.11 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 128.224 2.61 . . . . 0.0 113.619 -159.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.67 150.38 12.61 Favored 'General case' 0 N--CA 1.443 -0.777 0 O-C-N 119.789 -1.819 . . . . 0.0 112.821 150.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -73.15 -46.0 53.43 Favored 'General case' 0 CA--C 1.567 1.631 0 C-N-CA 118.76 -1.176 . . . . 0.0 113.464 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -160.48 179.47 8.59 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 130.922 3.689 . . . . 0.0 114.207 176.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.5 tp -64.83 -22.99 32.48 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.199 0 O-C-N 120.318 -1.489 . . . . 0.0 112.999 -170.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -73.35 -47.31 43.37 Favored 'General case' 0 N--CA 1.509 2.487 0 O-C-N 124.418 1.074 . . . . 0.0 108.821 -173.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.84 -38.2 36.31 Favored 'Isoleucine or valine' 0 C--O 1.247 0.953 0 CA-C-N 114.446 -1.252 . . . . 0.0 113.717 171.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.77 1.08 3.56 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 117.72 -3.113 . . . . 0.0 112.987 172.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.1 m -100.92 -41.23 6.9 Favored 'General case' 0 C--O 1.194 -1.844 0 CA-C-N 122.095 2.225 . . . . 0.0 108.934 165.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 29.6 ttp -65.28 -38.5 90.46 Favored 'General case' 0 C--O 1.294 3.41 0 C-N-CA 125.428 1.491 . . . . 0.0 111.008 -167.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.478 HD13 ' HB3' ' A' ' 32' ' ' MET . 7.5 tt -74.15 -47.91 32.8 Favored 'General case' 0 N--CA 1.519 3.016 0 O-C-N 117.238 -3.414 . . . . 0.0 107.687 172.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -51.09 -52.18 46.13 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 117.758 -1.577 . . . . 0.0 111.767 175.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.489 ' HB2' ' HB2' ' B' ' 90' ' ' MET . 31.9 mm-40 -82.86 -3.52 56.95 Favored 'General case' 0 C--O 1.181 -2.513 0 C-N-CA 123.49 0.716 . . . . 0.0 111.598 -168.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -81.17 -47.73 13.05 Favored 'General case' 0 C--N 1.366 1.311 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 153.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.608 HD11 HD22 ' B' ' 13' ' ' LEU . 0.5 OUTLIER -59.26 -18.91 15.04 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.341 0 CA-C-O 126.159 2.885 . . . . 0.0 112.189 178.464 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -31.68 28.91 Favored 'General case' 0 N--CA 1.514 2.765 0 C-N-CA 127.595 2.358 . . . . 0.0 115.579 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -82.65 -7.5 59.64 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 117.355 2.354 . . . . 0.0 117.355 168.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.31 -51.6 68.84 Favored 'General case' 0 C--O 1.197 -1.685 0 CA-C-O 115.495 -2.193 . . . . 0.0 110.796 -173.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -128.51 156.29 43.5 Favored 'General case' 0 CA--C 1.565 1.552 0 N-CA-C 118.332 2.715 . . . . 0.0 118.332 163.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -125.7 72.36 68.24 Favored Pre-proline 0 CA--C 1.601 2.906 0 CA-C-N 112.916 -1.947 . . . . 0.0 114.712 165.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo . . . . . 0 N--CA 1.509 2.431 0 N-CA-C 108.743 -1.291 . . . . 0.0 108.743 176.515 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.445 ' C ' ' H ' ' B' ' 12' ' ' THR . 12.3 p . . . . . 0 C--O 1.258 1.539 0 N-CA-C 117.533 2.42 . . . . 0.0 117.533 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 54.67 -24.85 0.01 OUTLIER 'General case' 0 CA--C 1.585 2.305 0 CA-C-O 115.766 -2.064 . . . . 0.0 114.827 -164.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.445 ' H ' ' C ' ' B' ' 10' ' ' THR . 40.8 p -122.03 -67.95 0.93 Allowed 'General case' 0 N--CA 1.424 -1.767 0 N-CA-C 105.063 -2.199 . . . . 0.0 105.063 -161.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.608 HD22 HD11 ' A' ' 95' ' ' ILE . 0.3 OUTLIER -54.96 -55.08 34.68 Favored 'General case' 1 C--O 1.134 -4.994 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -175.017 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -70.21 9.52 0.57 Allowed 'General case' 0 N--CA 1.515 2.808 0 O-C-N 124.778 1.299 . . . . 0.0 113.343 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -132.27 -11.49 3.23 Favored 'General case' 0 C--N 1.36 1.043 0 CA-C-O 114.787 -2.53 . . . . 0.0 111.853 175.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.441 HG11 HD12 ' A' ' 95' ' ' ILE 0.28 2.2 m -81.39 -14.49 12.53 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.664 0 N-CA-C 118.008 2.596 . . . . 0.0 118.008 149.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . 0.262 18.9 p -54.74 -43.36 72.6 Favored 'General case' 0 N--CA 1.516 2.848 0 N-CA-C 104.587 -2.375 . . . . 0.0 104.587 177.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -48.54 -37.88 18.95 Favored 'General case' 0 C--O 1.208 -1.115 0 C-N-CA 126.716 2.006 . . . . 0.0 115.391 168.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.438 HG23 HD21 ' B' ' 68' ' ' LEU . 19.3 mt -93.31 -44.19 13.71 Favored 'Isoleucine or valine' 0 C--O 1.267 2.009 0 CA-C-N 121.239 1.836 . . . . 0.0 108.88 -168.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . 0.256 1.5 m-30 -80.68 0.75 33.0 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 126.227 2.204 . . . . 0.0 108.779 -162.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -108.33 -27.43 9.99 Favored 'General case' 0 C--N 1.289 -2.049 0 N-CA-C 116.508 2.04 . . . . 0.0 116.508 155.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . 0.307 . . -69.03 -18.92 64.09 Favored 'General case' 0 N--CA 1.534 3.76 1 O-C-N 116.243 -4.036 . . . . 0.0 114.24 172.51 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' B' ' 19' ' ' ILE . 34.7 mt -58.25 -17.63 20.66 Favored 'General case' 0 N--CA 1.512 2.626 0 C-N-CA 126.277 1.831 . . . . 0.0 115.592 162.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.95 25.48 0.09 OUTLIER Glycine 0 N--CA 1.505 3.296 0 C-N-CA 129.852 3.596 . . . . 0.0 117.093 -166.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -145.13 123.99 12.68 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 123.454 3.627 . . . . 0.0 113.706 165.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -44.29 -38.39 3.84 Favored 'General case' 0 N--CA 1.513 2.724 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 171.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -56.65 -47.19 80.31 Favored 'General case' 0 N--CA 1.412 -2.365 0 CA-C-N 121.288 1.858 . . . . 0.0 111.53 171.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -66.15 -15.41 63.1 Favored 'General case' 0 N--CA 1.521 3.076 0 O-C-N 125.651 1.844 . . . . 0.0 109.149 -172.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 20.8 mm -107.28 -42.82 6.4 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.991 0 O-C-N 120.755 -1.216 . . . . 0.0 111.511 -169.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 62.7 ttt-85 -62.31 -23.28 66.65 Favored 'General case' 0 CA--C 1.586 2.35 0 CA-C-N 113.929 -1.487 . . . . 0.0 113.249 168.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.415 ' HA ' HD21 ' B' ' 49' ' ' LEU . 52.1 mt -68.69 -72.03 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.259 1.584 0 O-C-N 127.965 3.291 . . . . 0.0 110.299 162.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . 0.42 ' HB3' HD13 ' B' ' 91' ' ' LEU . 45.4 mtm -65.22 -34.64 78.86 Favored 'General case' 0 C--O 1.192 -1.965 0 CA-C-N 122.253 2.297 . . . . 0.0 113.213 -169.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -33.54 -56.56 0.44 Allowed 'General case' 0 CA--C 1.602 2.954 0 CA-C-N 122.568 2.44 . . . . 0.0 114.818 153.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.516 HD13 ' C ' ' B' ' 34' ' ' LEU . 0.3 OUTLIER -67.39 -44.14 79.62 Favored 'General case' 0 CA--C 1.574 1.89 0 CA-C-O 123.27 1.51 . . . . 0.0 109.545 -177.451 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.504 ' CD2' ' H ' ' B' ' 40' ' ' ALA . 87.2 mt -66.51 -18.69 65.5 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 127.483 3.516 . . . . 0.0 116.679 -175.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . 0.412 ' OG ' ' HE3' ' B' ' 92' ' ' LYS . 2.1 p -70.15 -18.75 63.23 Favored 'General case' 0 C--O 1.265 1.913 0 CA-C-N 109.288 -3.597 . . . . 0.0 114.103 169.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 12.3 m -119.49 -32.13 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.572 1.811 0 CA-C-N 121.495 1.952 . . . . 0.0 112.831 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -158.49 127.4 5.53 Favored 'General case' 0 CA--C 1.469 -2.15 0 CA-C-O 125.269 2.462 . . . . 0.0 113.451 154.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -61.99 152.81 31.29 Favored 'General case' 0 CA--C 1.583 2.241 0 O-C-N 116.904 -3.622 . . . . 0.0 112.632 -170.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.504 ' H ' ' CD2' ' B' ' 35' ' ' LEU . . . -160.68 166.05 29.47 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 122.688 2.495 . . . . 0.0 115.458 160.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 38.7 t -92.13 157.88 16.49 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 117.622 2.452 . . . . 0.0 117.622 175.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.541 ' HA ' HG11 ' B' ' 56' ' ' VAL . 59.4 t -24.74 -56.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.506 2.35 0 N-CA-C 117.682 2.475 . . . . 0.0 117.682 175.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.64 -52.89 42.41 Favored Glycine 0 C--O 1.186 -2.892 0 CA-C-O 117.661 -1.633 . . . . 0.0 110.731 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -77.56 -38.88 47.59 Favored 'General case' 0 N--CA 1.421 -1.89 0 N-CA-C 116.528 2.048 . . . . 0.0 116.528 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.652 HG23 HD13 ' B' ' 49' ' ' LEU . 66.5 mt -47.01 -49.9 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 CA-C-O 122.219 1.009 . . . . 0.0 108.651 170.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -47.11 -38.68 11.85 Favored 'General case' 0 C--O 1.278 2.596 0 CA-C-O 125.739 2.685 . . . . 0.0 115.017 173.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -79.89 -54.36 5.89 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 119.638 -1.914 . . . . 0.0 108.078 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -61.8 -21.38 64.54 Favored 'General case' 0 N--CA 1.504 2.239 0 C-N-CA 129.139 2.976 . . . . 0.0 116.925 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.652 HD13 HG23 ' B' ' 45' ' ' ILE . 7.9 mp -121.05 -0.03 10.1 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 120.879 1.672 . . . . 0.0 113.106 176.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . 0.258 13.0 m120 59.49 55.89 3.94 Favored 'General case' 0 CA--C 1.585 2.301 0 C-N-CA 126.763 2.025 . . . . 0.0 113.978 -171.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 65.4 mt -126.42 176.19 7.32 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.779 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 25.8 p -110.6 146.57 35.89 Favored 'General case' 0 C--O 1.254 1.324 0 O-C-N 120.709 -1.244 . . . . 0.0 112.769 -177.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -58.73 -32.89 69.63 Favored 'General case' 0 N--CA 1.423 -1.807 1 O-C-N 115.755 -4.34 . . . . 0.0 114.033 -174.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 89.9 p -63.34 -36.98 85.5 Favored 'General case' 0 N--CA 1.521 3.107 0 N-CA-C 120.283 3.438 . . . . 0.0 120.283 160.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -83.22 -31.23 27.14 Favored 'General case' 0 N--CA 1.528 3.452 0 O-C-N 120.686 -1.259 . . . . 0.0 112.248 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.541 HG11 ' HA ' ' B' ' 42' ' ' VAL . 95.7 t -74.23 -35.61 40.92 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.572 0 CA-C-O 116.79 -1.576 . . . . 0.0 111.197 170.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 68.0 m -58.16 -1.85 0.15 Allowed 'General case' 0 C--N 1.396 2.593 0 CA-C-N 124.793 3.451 . . . . 0.0 113.21 169.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -112.22 -39.24 4.5 Favored 'General case' 0 C--O 1.264 1.826 0 C-N-CA 126.703 2.001 . . . . 0.0 110.678 175.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -79.14 -50.1 11.55 Favored 'General case' 0 C--O 1.244 0.773 0 O-C-N 120.196 -1.565 . . . . 0.0 107.65 -171.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.53 HD13 HD13 ' B' ' 45' ' ' ILE . 5.7 tp -59.69 -45.27 92.62 Favored 'General case' 0 C--N 1.281 -2.379 0 CA-C-O 115.792 -2.051 . . . . 0.0 110.859 169.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -41.47 85.14 Favored 'General case' 0 C--O 1.204 -1.315 0 CA-C-N 121.612 2.005 . . . . 0.0 109.055 -176.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.611 ' C ' HD13 ' B' ' 62' ' ' LEU . 0.8 OUTLIER -60.02 -53.0 62.99 Favored 'General case' 0 C--N 1.282 -2.349 0 CA-C-N 122.044 2.202 . . . . 0.0 111.579 175.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 34.6 mt -58.41 -42.84 88.12 Favored 'General case' 0 N--CA 1.508 2.452 0 CA-C-O 124.983 2.325 . . . . 0.0 107.759 -177.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -56.24 -44.14 79.34 Favored 'General case' 0 CA--C 1.56 1.343 0 CA-C-N 112.965 -1.925 . . . . 0.0 109.99 175.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.6 m -69.85 -27.53 64.92 Favored 'General case' 0 C--O 1.268 2.041 0 CA-C-N 111.827 -2.442 . . . . 0.0 115.964 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 27.5 m -102.59 16.74 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.07 0 O-C-N 121.789 -0.57 . . . . 0.0 111.765 175.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . 0.331 6.2 m80 60.6 14.68 5.11 Favored 'General case' 0 C--O 1.199 -1.577 1 N-CA-C 123.568 4.655 . . . . 0.0 123.568 171.723 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.438 HD21 HG23 ' B' ' 19' ' ' ILE . 3.6 mt -77.95 -30.81 50.6 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-O 124.158 1.933 . . . . 0.0 110.171 171.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 t -108.59 155.91 9.37 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.473 0 C-N-CA 127.581 2.352 . . . . 0.0 111.097 173.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -129.68 135.75 48.88 Favored 'General case' 0 N--CA 1.527 3.397 0 C-N-CA 128.456 2.702 . . . . 0.0 109.33 172.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.86 135.0 35.07 Favored 'General case' 0 C--O 1.179 -2.639 0 CA-C-O 122.903 1.335 . . . . 0.0 108.792 149.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 52.8 pttt . . . . . 0 N--CA 1.494 1.769 0 CA-C-O 122.987 1.375 . . . . 0.0 108.664 169.584 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 41.2 mtt . . . . . 0 N--CA 1.41 -2.44 0 N-CA-C 106.549 -1.648 . . . . 0.0 106.549 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 28.3 mm -77.86 145.62 9.62 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.515 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.564 173.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -120.26 137.29 54.31 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 126.993 3.283 . . . . 0.0 108.611 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -138.86 167.89 21.02 Favored 'General case' 0 CA--C 1.569 1.703 0 C-N-CA 127.003 2.121 . . . . 0.0 111.128 -174.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.539 HD13 ' HB2' ' B' ' 88' ' ' ALA . 1.2 mp -64.26 148.24 50.63 Favored 'General case' 0 N--CA 1.429 -1.497 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 163.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -52.99 -53.4 50.52 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 116.058 1.873 . . . . 0.0 116.058 166.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 28.4 p30 -154.63 -179.7 8.23 Favored 'General case' 0 C--N 1.365 1.266 0 CA-C-O 125.893 2.758 . . . . 0.0 115.825 156.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.9 pp -54.89 -22.19 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 CA-C-O 113.822 -2.99 . . . . 0.0 114.504 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 57.9 m170 -50.96 -64.91 0.66 Allowed 'General case' 0 C--O 1.274 2.389 0 CA-C-N 123.237 2.744 . . . . 0.0 109.526 178.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.414 HG23 HD23 ' B' ' 82' ' ' LEU . 4.3 m -77.45 -16.39 14.35 Favored 'Isoleucine or valine' 0 C--N 1.405 2.985 0 C-N-CA 128.764 2.825 . . . . 0.0 109.421 -176.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.539 ' HB2' HD13 ' B' ' 82' ' ' LEU . . . -74.29 -29.52 61.68 Favored 'General case' 0 CA--C 1.591 2.535 1 CA-C-N 126.481 4.218 . . . . 0.0 111.164 162.642 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 31.1 m -79.66 -42.71 24.22 Favored 'General case' 0 N--CA 1.501 2.1 0 C-N-CA 126.842 2.057 . . . . 0.0 107.95 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . 0.489 ' HB2' ' HB2' ' A' ' 93' ' ' GLN 0.412 3.2 tmm? -56.8 -51.79 67.58 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-O 115.657 -2.116 . . . . 0.0 114.855 163.277 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.42 HD13 ' HB3' ' B' ' 32' ' ' MET . 7.4 tt -62.7 -39.86 95.35 Favored 'General case' 0 CA--C 1.468 -2.193 0 N-CA-C 117.635 2.457 . . . . 0.0 117.635 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.412 ' HE3' ' OG ' ' B' ' 36' ' ' SER . 52.8 mttt -59.95 -44.25 94.5 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 117.574 -1.203 . . . . 0.0 111.848 177.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -71.71 -20.89 61.85 Favored 'General case' 0 N--CA 1.502 2.136 0 N-CA-C 118.281 2.697 . . . . 0.0 118.281 173.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' B' ' 91' ' ' LEU . . . -62.94 -50.77 69.52 Favored 'General case' 0 CA--C 1.57 1.729 1 C-N-CA 134.767 5.227 . . . . 0.0 109.866 162.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.411 HD13 HG11 ' A' ' 16' ' ' VAL . 4.0 mm -66.4 -36.3 77.0 Favored 'Isoleucine or valine' 0 N--CA 1.53 3.55 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 174.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -65.4 -38.76 90.93 Favored 'General case' 0 CA--C 1.575 1.919 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -176.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -71.25 -11.61 61.01 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 119.728 -0.789 . . . . 0.0 112.621 177.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -102.26 -29.85 11.44 Favored 'General case' 0 N--CA 1.51 2.571 0 C-N-CA 128.065 2.546 . . . . 0.0 108.728 -175.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -110.52 74.76 0.89 Allowed 'General case' 0 C--N 1.355 0.83 0 C-N-CA 130.928 3.691 . . . . 0.0 112.691 177.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 41.9 m170 . . . . . 0 CA--C 1.579 2.066 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 -177.244 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 . . . . . 0 CA--C 1.474 -1.959 0 CA-C-O 117.418 -1.277 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 62.6 p -148.5 -36.83 0.18 Allowed 'General case' 0 CA--C 1.482 -1.658 0 CA-C-O 111.826 -3.94 . . . . 0.0 115.459 -177.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 56.7 -40.16 0.03 OUTLIER 'General case' 0 C--O 1.265 1.882 0 C-N-CA 130.377 3.471 . . . . 0.0 118.668 -175.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 p -150.04 -18.25 0.25 Allowed 'General case' 0 C--O 1.245 0.838 0 C-N-CA 126.144 1.778 . . . . 0.0 113.236 -171.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . 0.273 1.0 OUTLIER -61.51 -35.79 78.69 Favored 'General case' 0 CA--C 1.583 2.243 0 CA-C-O 125.72 2.676 . . . . 0.0 116.48 -163.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -82.5 -18.71 40.63 Favored 'General case' 0 N--CA 1.512 2.655 0 CA-C-N 109.199 -3.637 . . . . 0.0 108.531 -176.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -74.44 -9.7 58.85 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-O 114.874 -2.489 . . . . 0.0 111.583 161.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.469 HG22 ' CB ' ' B' ' 98' ' ' ALA . 48.5 t -94.06 -33.22 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.314 0 CA-C-N 121.376 1.898 . . . . 0.0 113.334 173.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.47 ' HA ' ' CD2' ' A' ' 20' ' ' PHE . 66.9 p -57.32 -28.98 63.56 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 118.888 -2.383 . . . . 0.0 111.578 158.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -68.39 -11.66 59.96 Favored 'General case' 0 N--CA 1.407 -2.624 0 CA-C-N 122.189 2.268 . . . . 0.0 114.374 173.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.391 0.0 OUTLIER -102.06 -4.36 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.916 0 CA-C-N 120.869 1.668 . . . . 0.0 114.092 161.771 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.47 ' CD2' ' HA ' ' A' ' 17' ' ' THR . 17.4 m-85 -85.68 -36.19 20.41 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 170.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -71.95 60.81 0.4 Allowed 'General case' 0 C--N 1.284 -2.267 0 C-N-CA 131.336 3.855 . . . . 0.0 108.57 160.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -168.69 -14.03 0.02 OUTLIER 'General case' 0 CA--C 1.583 2.224 1 CA-C-N 107.563 -4.38 . . . . 0.0 108.89 174.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 20' ' ' PHE . 66.2 mt -104.96 -131.83 0.3 Allowed 'General case' 0 C--O 1.265 1.917 1 C-N-CA 132.105 4.162 . . . . 0.0 110.041 -172.814 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.26 -0.44 53.88 Favored Glycine 1 N--CA 1.539 5.554 0 N-CA-C 119.868 2.707 . . . . 0.0 119.868 164.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -144.92 161.45 39.29 Favored 'General case' 0 C--O 1.174 -2.877 0 C-N-CA 125.379 1.471 . . . . 0.0 107.7 -173.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -81.83 -75.73 0.28 Allowed 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 117.698 -1.144 . . . . 0.0 113.764 -170.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -65.9 -39.09 90.28 Favored 'General case' 0 CA--C 1.578 2.04 0 CA-C-O 114.477 -2.678 . . . . 0.0 110.365 -170.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -22.6 -41.26 0.0 OUTLIER 'General case' 0 CA--C 1.562 1.437 0 C-N-CA 127.671 2.388 . . . . 0.0 115.173 164.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.6 pt -114.58 -11.01 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.248 0 C-N-CA 125.39 1.476 . . . . 0.0 112.925 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.8 ttp85 -71.87 -29.62 64.57 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 127.497 2.319 . . . . 0.0 112.771 163.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.3 mt -58.41 -52.89 53.75 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.095 0 C-N-CA 129.501 3.12 . . . . 0.0 108.289 164.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.567 ' HG2' HD12 ' A' ' 35' ' ' LEU . 70.5 mtm -79.54 -41.06 28.12 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 114.445 -1.252 . . . . 0.0 113.16 -165.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -22.2 -64.82 0.03 OUTLIER 'General case' 0 N--CA 1.532 3.667 0 CA-C-N 120.943 1.701 . . . . 0.0 115.361 144.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.3 -49.65 68.7 Favored 'General case' 0 CA--C 1.607 3.167 0 CA-C-N 118.074 0.397 . . . . 0.0 111.983 177.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.567 HD12 ' HG2' ' A' ' 32' ' ' MET . 24.1 mt -50.73 -26.1 5.16 Favored 'General case' 0 C--O 1.188 -2.164 0 O-C-N 117.303 -3.373 . . . . 0.0 109.876 171.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.3 1.4 m -71.84 -0.79 12.1 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 117.717 2.488 . . . . 0.0 117.717 172.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.0 m -130.56 -39.07 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.377 1.798 0 C-N-CA 126.741 2.016 . . . . 0.0 114.644 161.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.02 147.54 47.99 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 116.145 -1.884 . . . . 0.0 109.818 175.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -88.83 125.0 34.71 Favored 'General case' 0 N--CA 1.496 1.829 1 C-N-CA 133.944 4.897 . . . . 0.0 115.023 -178.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -141.37 154.12 45.46 Favored 'General case' 0 CA--C 1.573 1.84 0 C-N-CA 116.534 -2.066 . . . . 0.0 110.49 -175.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.0 t -115.58 159.71 20.93 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 115.089 -2.386 . . . . 0.0 117.115 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.5 t -8.73 -64.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 C-N-CA 128.713 2.805 . . . . 0.0 117.018 173.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.6 -45.75 74.46 Favored Glycine 0 C--N 1.381 3.034 0 C-N-CA 117.56 -2.257 . . . . 0.0 113.909 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -74.41 -31.4 62.31 Favored 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 117.112 2.264 . . . . 0.0 117.112 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.0 mt -57.71 -56.21 16.88 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.615 0 CA-C-N 121.897 2.135 . . . . 0.0 107.138 166.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.2 m -51.79 -27.29 11.8 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 125.18 1.392 . . . . 0.0 113.492 174.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -82.19 -59.3 2.6 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 118.735 -2.478 . . . . 0.0 111.223 167.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -68.34 -34.83 76.8 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 127.069 2.148 . . . . 0.0 112.302 -170.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 mp -100.36 5.03 44.34 Favored 'General case' 0 CA--C 1.582 2.189 0 CA-C-N 124.901 3.5 . . . . 0.0 112.987 176.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.1 m120 48.49 62.42 2.56 Favored 'General case' 0 CA--C 1.58 2.119 0 C-N-CA 129.207 3.003 . . . . 0.0 111.945 -170.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.6 mt -108.85 -152.46 0.49 Allowed 'General case' 0 N--CA 1.502 2.135 0 C-N-CA 126.18 1.792 . . . . 0.0 110.926 -172.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.4 p -146.58 154.15 41.17 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.644 -1.285 . . . . 0.0 112.833 174.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -81.96 -34.92 29.53 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-N 120.796 1.635 . . . . 0.0 114.642 -163.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 p -48.85 -50.99 32.11 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 119.977 -1.702 . . . . 0.0 115.406 160.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -63.8 -50.65 68.16 Favored 'General case' 0 C--O 1.175 -2.846 0 N-CA-C 119.732 3.234 . . . . 0.0 119.732 172.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.6 t -65.86 -36.91 78.65 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.973 0 O-C-N 119.192 -2.193 . . . . 0.0 112.107 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.7 m -60.57 6.88 0.03 OUTLIER 'General case' 0 N--CA 1.515 2.816 0 CA-C-O 114.411 -2.709 . . . . 0.0 112.754 165.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -122.98 -34.94 3.09 Favored 'General case' 0 C--O 1.285 2.958 0 CA-C-N 122.265 2.302 . . . . 0.0 107.893 168.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -86.32 -45.13 11.52 Favored 'General case' 0 CA--C 1.566 1.578 0 CA-C-O 115.426 -2.226 . . . . 0.0 114.373 -175.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.5 tp -54.22 -38.11 65.34 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.331 1.453 . . . . 0.0 113.847 166.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -70.44 -52.02 25.16 Favored 'General case' 0 C--O 1.171 -3.053 0 CA-C-O 113.559 -3.115 . . . . 0.0 110.804 171.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.424 HD13 ' C ' ' A' ' 62' ' ' LEU . 1.7 tm? -49.96 -54.76 17.84 Favored 'General case' 0 N--CA 1.509 2.488 1 CA-C-N 126.213 4.097 . . . . 0.0 111.188 172.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . 0.267 21.2 mt -65.81 -36.83 84.62 Favored 'General case' 0 N--CA 1.422 -1.825 0 C-N-CA 123.007 0.523 . . . . 0.0 111.724 -170.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -54.52 -54.53 39.94 Favored 'General case' 0 N--CA 1.51 2.527 0 O-C-N 128.909 3.881 . . . . 0.0 112.335 168.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.3 4.96 7.76 Favored 'General case' 0 N--CA 1.504 2.245 0 N-CA-C 118.724 2.861 . . . . 0.0 118.724 173.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.5 m -124.27 18.14 4.63 Favored 'Isoleucine or valine' 0 C--O 1.262 1.723 0 O-C-N 126.734 2.521 . . . . 0.0 115.079 166.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.353 4.0 p80 58.3 25.92 13.33 Favored 'General case' 0 C--N 1.357 0.916 0 CA-C-O 112.683 -3.532 . . . . 0.0 113.436 171.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.0 mp -89.0 -12.98 39.9 Favored 'General case' 0 N--CA 1.418 -2.069 0 CA-C-N 124.362 3.256 . . . . 0.0 112.384 160.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 t -125.65 150.41 30.95 Favored 'Isoleucine or valine' 0 C--O 1.179 -2.638 0 CA-C-N 113.668 -1.605 . . . . 0.0 110.267 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -140.1 128.34 22.49 Favored 'General case' 0 CA--C 1.606 3.124 0 C-N-CA 130.803 3.641 . . . . 0.0 110.187 169.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.06 163.77 23.92 Favored 'General case' 0 CA--C 1.566 1.579 0 CA-C-O 124.694 2.188 . . . . 0.0 108.296 175.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -143.69 125.06 14.69 Favored 'General case' 0 N--CA 1.482 1.153 1 O-C-N 115.115 -4.741 . . . . 0.0 113.192 162.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -75.0 134.15 41.51 Favored 'General case' 0 CA--C 1.474 -1.958 0 C-N-CA 126.684 1.994 . . . . 0.0 108.272 -172.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -132.7 79.89 1.87 Allowed 'General case' 0 CA--C 1.573 1.839 0 C-N-CA 129.816 3.246 . . . . 0.0 107.882 173.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 53.3 -118.65 8.72 Favored Glycine 0 CA--C 1.545 1.946 0 C-N-CA 125.511 1.529 . . . . 0.0 113.499 -167.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -75.3 -7.74 54.77 Favored 'General case' 0 CA--C 1.582 2.177 0 C-N-CA 125.978 1.711 . . . . 0.0 115.159 175.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.3 m -100.87 154.18 18.88 Favored 'General case' 0 CA--C 1.463 -2.377 0 C-N-CA 128.514 2.726 . . . . 0.0 112.87 172.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 14.4 mtt -127.03 125.61 41.7 Favored 'General case' 0 CA--C 1.563 1.47 0 O-C-N 127.611 3.07 . . . . 0.0 106.756 161.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.5 mm -71.85 149.41 9.35 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.267 0 C-N-CA 126.536 1.934 . . . . 0.0 107.608 160.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -134.52 159.71 40.3 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 172.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.2 m -148.19 166.15 28.76 Favored 'General case' 0 C--O 1.267 2.01 0 C-N-CA 127.755 2.422 . . . . 0.0 109.802 -163.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.32 161.12 0.99 Allowed 'General case' 0 C--N 1.38 1.916 0 CA-C-N 120.957 1.708 . . . . 0.0 111.682 151.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -75.41 -48.1 24.42 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 114.53 1.308 . . . . 0.0 114.53 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.402 ' OD1' ' HB2' ' A' ' 86' ' ' HIS . 13.6 p30 -150.43 -175.99 5.31 Favored 'General case' 0 CA--C 1.582 2.186 0 CA-C-O 124.791 2.234 . . . . 0.0 111.707 164.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.2 tp -71.38 -14.0 17.39 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.476 0 C-N-CA 128.031 2.532 . . . . 0.0 108.449 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.402 ' HB2' ' OD1' ' A' ' 84' ' ' ASP . 23.5 m170 -65.11 -58.5 5.89 Favored 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 125.204 1.402 . . . . 0.0 112.165 169.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.449 HG12 ' H ' ' A' ' 87' ' ' VAL 0.277 0.5 OUTLIER -65.83 -40.68 88.33 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.21 0 C-N-CA 126.755 2.022 . . . . 0.0 113.49 176.736 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.48 -29.7 17.32 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 162.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . 0.281 36.6 m -84.89 -34.43 22.58 Favored 'General case' 0 CA--C 1.604 3.044 0 O-C-N 119.157 -2.214 . . . . 0.0 116.395 175.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.1 ttt -53.3 -63.99 0.97 Allowed 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 126.463 2.352 . . . . 0.0 111.943 167.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.486 ' CD1' ' HB2' ' A' ' 32' ' ' MET 0.265 4.1 tt -68.05 -37.1 80.93 Favored 'General case' 0 CA--C 1.575 1.916 0 CA-C-O 115.304 -2.284 . . . . 0.0 110.523 -171.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -73.07 -33.44 65.65 Favored 'General case' 0 N--CA 1.529 3.494 0 CA-C-N 123.428 2.831 . . . . 0.0 109.0 177.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -73.6 -17.24 61.2 Favored 'General case' 0 C--O 1.188 -2.147 0 CA-C-N 122.524 2.42 . . . . 0.0 115.764 172.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.407 ' C ' ' H ' ' A' ' 96' ' ' HIS . . . -79.09 -45.66 19.62 Favored 'General case' 0 CA--C 1.569 1.711 0 CA-C-O 123.695 1.712 . . . . 0.0 108.743 177.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.548 HD11 HD22 ' B' ' 13' ' ' LEU . 0.4 OUTLIER -67.37 11.75 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 C-N-CA 130.044 3.338 . . . . 0.0 108.785 172.373 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.407 ' H ' ' C ' ' A' ' 94' ' ' ALA . 2.2 m-70 -120.1 -27.35 5.33 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 116.455 -3.903 . . . . 0.0 114.594 169.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -92.95 -11.86 32.25 Favored 'General case' 0 CA--C 1.496 -1.123 0 O-C-N 119.492 -2.005 . . . . 0.0 111.535 174.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.52 ' HB2' ' CG1' ' B' ' 16' ' ' VAL . . . -61.16 -44.03 97.96 Favored 'General case' 0 CA--C 1.607 3.159 0 CA-C-N 120.026 1.284 . . . . 0.0 111.525 173.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 41.3 p-10 -136.04 155.53 50.08 Favored 'General case' 0 C--O 1.191 -2.013 0 O-C-N 117.667 -3.146 . . . . 0.0 107.727 170.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -132.81 69.69 79.17 Favored Pre-proline 0 C--O 1.19 -2.049 0 C-N-CA 126.357 1.863 . . . . 0.0 113.47 -175.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -92.06 163.83 3.2 Favored 'Trans proline' 0 C--N 1.362 1.273 0 O-C-N 117.945 -1.66 . . . . 0.0 115.805 -170.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -63.35 148.97 46.91 Favored 'General case' 0 C--N 1.397 2.636 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 171.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 CA--C 1.472 -2.021 0 O-C-N 128.481 3.613 . . . . 0.0 110.198 176.924 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 13.3 m120 . . . . . 0 CA--C 1.569 1.707 0 CA-C-O 122.43 1.11 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 30.8 p -147.21 -19.79 0.39 Allowed 'General case' 0 N--CA 1.531 3.603 0 C-N-CA 129.809 3.244 . . . . 0.0 118.776 -169.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 63.77 -53.79 0.23 Allowed 'General case' 0 C--N 1.289 -2.025 1 C-N-CA 133.153 4.581 . . . . 0.0 114.42 -176.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.2 p -95.58 -71.72 0.66 Allowed 'General case' 0 CA--C 1.563 1.477 0 C-N-CA 128.663 2.785 . . . . 0.0 107.293 -155.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.548 HD22 HD11 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -32.87 -56.67 0.38 Allowed 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 128.896 2.878 . . . . 0.0 112.716 168.472 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -69.61 0.89 4.72 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 126.183 1.793 . . . . 0.0 113.725 -173.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.505 ' HB2' ' HB1' ' A' ' 98' ' ' ALA . 2.3 mmp_? -124.48 -21.57 4.86 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 128.709 2.804 . . . . 0.0 112.613 173.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.52 ' CG1' ' HB2' ' A' ' 98' ' ' ALA . 17.0 m -95.08 -14.0 8.11 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.467 0 CA-C-N 123.499 2.863 . . . . 0.0 115.031 173.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.3 p -43.79 -45.92 7.49 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 122.495 2.407 . . . . 0.0 112.554 165.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -52.23 -39.45 60.31 Favored 'General case' 0 C--N 1.287 -2.142 0 CA-C-O 115.644 -2.122 . . . . 0.0 112.285 169.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 20.8 mt -72.45 -49.02 44.8 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.667 0 CA-C-O 115.97 -1.967 . . . . 0.0 110.186 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -88.81 -4.89 58.38 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 120.807 1.639 . . . . 0.0 112.064 -153.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 pttm -88.43 -39.7 14.06 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 153.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.22 -15.26 22.9 Favored 'General case' 0 N--CA 1.529 3.525 0 O-C-N 118.667 -2.52 . . . . 0.0 115.012 175.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 54.5 mt -65.59 -24.66 67.13 Favored 'General case' 0 C--N 1.383 2.046 0 CA-C-O 123.534 1.635 . . . . 0.0 111.699 177.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.27 43.63 0.1 OUTLIER Glycine 0 N--CA 1.502 3.058 1 N-CA-C 123.956 4.342 . . . . 0.0 123.956 -161.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -155.04 138.07 15.53 Favored 'General case' 0 C--N 1.359 1.019 1 CA-C-O 129.442 4.449 . . . . 0.0 107.094 167.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -69.84 -26.28 64.14 Favored 'General case' 0 N--CA 1.411 -2.4 0 O-C-N 118.365 -2.709 . . . . 0.0 105.837 -166.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -72.54 -51.02 21.69 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 127.658 2.383 . . . . 0.0 107.73 -173.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -46.56 -51.59 15.24 Favored 'General case' 0 CA--C 1.496 -1.121 0 C-N-CA 128.38 2.672 . . . . 0.0 112.076 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 mm -88.11 -31.45 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 CA-C-N 113.121 -1.854 . . . . 0.0 108.909 -165.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 46.1 ttt-85 -58.31 -26.97 63.66 Favored 'General case' 0 C--N 1.399 2.749 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.694 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.442 ' O ' ' HG ' ' B' ' 35' ' ' LEU . 5.9 mt -72.83 -38.18 56.65 Favored 'Isoleucine or valine' 0 C--O 1.288 3.101 0 O-C-N 126.527 2.392 . . . . 0.0 111.942 174.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . 0.427 ' HB2' HD11 ' B' ' 91' ' ' LEU . 62.9 mtm -84.96 -42.1 15.25 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 118.773 2.879 . . . . 0.0 118.773 -178.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.428 ' H ' ' CD2' ' B' ' 91' ' ' LEU . 1.5 tm-20 -5.01 -70.88 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.73 0 N-CA-C 116.683 2.105 . . . . 0.0 116.683 130.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.434 HD13 ' N ' ' B' ' 35' ' ' LEU . 0.2 OUTLIER -72.78 -53.36 11.77 Favored 'General case' 0 N--CA 1.429 -1.516 0 O-C-N 118.313 -2.742 . . . . 0.0 110.259 -175.104 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' B' ' 31' ' ' ILE . 85.1 mt -47.07 -38.56 11.44 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 116.968 -3.582 . . . . 0.0 113.764 177.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . 0.415 ' HB3' HD11 ' B' ' 82' ' ' LEU . 3.4 p -63.1 -17.19 62.03 Favored 'General case' 0 C--N 1.276 -2.625 0 C-N-CA 130.679 3.592 . . . . 0.0 114.787 176.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 23.6 m -114.86 -30.63 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 N-CA-C 116.915 2.191 . . . . 0.0 116.915 165.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 49.8 m -159.71 131.36 6.17 Favored 'General case' 0 N--CA 1.392 -3.325 0 C-N-CA 127.887 2.475 . . . . 0.0 112.734 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . 0.269 15.5 mt-10 -84.37 140.82 31.31 Favored 'General case' 0 N--CA 1.514 2.767 0 O-C-N 118.155 -2.841 . . . . 0.0 111.767 -171.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -139.8 154.52 47.39 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-N 110.422 -3.081 . . . . 0.0 111.575 168.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . 0.294 21.9 t -90.77 159.25 16.41 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 116.187 -1.864 . . . . 0.0 111.747 170.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 52.7 t -19.12 -58.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.363 1.194 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 168.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.79 -38.31 76.31 Favored Glycine 0 CA--C 1.553 2.426 0 C-N-CA 117.653 -2.213 . . . . 0.0 117.101 -176.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -72.46 -35.72 68.31 Favored 'General case' 0 C--O 1.162 -3.518 0 O-C-N 118.213 -2.934 . . . . 0.0 112.84 174.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.71 -45.43 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.685 0 C-N-CA 130.004 3.322 . . . . 0.0 103.47 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 65.5 m -59.1 -40.68 86.06 Favored 'General case' 0 N--CA 1.499 1.988 0 CA-C-O 118.047 -0.978 . . . . 0.0 111.358 175.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -70.85 -58.41 3.64 Favored 'General case' 0 N--CA 1.504 2.236 0 N-CA-C 115.841 1.793 . . . . 0.0 115.841 172.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -48.91 -41.28 33.16 Favored 'General case' 0 C--N 1.257 -3.421 0 C-N-CA 126.643 1.977 . . . . 0.0 112.101 173.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.434 HD21 ' HA ' ' B' ' 31' ' ' ILE . 6.1 mp -117.71 7.54 12.55 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.636 -1.29 . . . . 0.0 111.042 -166.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . 0.251 33.9 m120 66.71 30.12 8.3 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 125.749 1.62 . . . . 0.0 114.25 174.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 18.4 mt -106.66 157.82 17.42 Favored 'General case' 0 N--CA 1.531 3.622 0 CA-C-N 121.343 1.883 . . . . 0.0 106.709 -172.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -73.58 144.19 46.11 Favored 'General case' 0 CA--C 1.577 1.995 0 C-N-CA 124.903 1.281 . . . . 0.0 108.797 175.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -67.29 -28.5 68.06 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.577 -0.702 . . . . 0.0 111.469 172.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 74.1 m -67.2 -46.06 75.01 Favored 'General case' 0 N--CA 1.508 2.428 0 CA-C-O 124.399 2.047 . . . . 0.0 110.088 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -64.84 -55.6 18.52 Favored 'General case' 0 CA--C 1.496 -1.106 0 C-N-CA 127.252 2.221 . . . . 0.0 110.478 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 58.7 t -64.04 -35.83 74.85 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 CA-C-N 121.675 2.034 . . . . 0.0 108.131 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.1 m -51.37 -5.18 0.03 OUTLIER 'General case' 0 C--O 1.261 1.702 0 CA-C-N 123.419 2.827 . . . . 0.0 115.656 167.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -128.55 -33.43 2.09 Favored 'General case' 1 CA--C 1.669 5.556 0 C-N-CA 126.64 1.976 . . . . 0.0 113.277 174.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -66.98 -40.08 87.33 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 121.257 1.844 . . . . 0.0 113.857 168.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.0 tp -66.25 -38.07 87.01 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.409 -0.807 . . . . 0.0 110.119 177.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -72.5 -34.41 67.61 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 126.179 2.895 . . . . 0.0 115.355 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.539 ' C ' HD13 ' B' ' 62' ' ' LEU 0.266 1.5 tm? -63.16 -48.73 77.19 Favored 'General case' 0 CA--C 1.599 2.836 0 O-C-N 118.724 -2.485 . . . . 0.0 111.403 167.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.469 ' N ' HD13 ' B' ' 62' ' ' LEU . 68.2 mt -59.84 -37.66 79.88 Favored 'General case' 0 C--O 1.264 1.834 0 O-C-N 119.209 -2.182 . . . . 0.0 113.113 -178.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -58.02 -55.6 32.78 Favored 'General case' 0 C--O 1.178 -2.669 0 CA-C-N 110.415 -3.084 . . . . 0.0 108.951 171.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.8 m -64.11 -10.03 20.08 Favored 'General case' 0 CA--C 1.583 2.244 0 C-N-CA 126.536 1.935 . . . . 0.0 115.095 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . 0.256 3.6 m -107.8 6.5 9.61 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.656 0 CA-C-O 123.942 1.83 . . . . 0.0 111.2 163.078 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . 0.266 85.2 m-70 64.4 18.0 11.09 Favored 'General case' 0 C--O 1.264 1.839 0 C-N-CA 126.086 1.754 . . . . 0.0 115.183 166.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 4.5 mp -72.36 -24.02 61.21 Favored 'General case' 0 N--CA 1.53 3.527 0 CA-C-O 118.103 -0.951 . . . . 0.0 109.738 158.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 t -116.58 151.98 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.824 0 CA-C-O 123.233 1.492 . . . . 0.0 108.75 -174.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . 0.311 0.1 OUTLIER -137.92 134.56 35.12 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 112.71 -2.041 . . . . 0.0 115.699 165.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.89 148.42 27.7 Favored 'General case' 0 CA--C 1.582 2.203 0 C-N-CA 126.268 1.827 . . . . 0.0 108.857 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -154.71 144.93 21.94 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 115.929 1.826 . . . . 0.0 115.929 161.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -68.32 149.42 49.44 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-O 117.534 -1.222 . . . . 0.0 109.013 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -161.27 107.44 1.39 Allowed 'General case' 0 C--O 1.26 1.649 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 174.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.3 -86.18 0.14 Allowed Glycine 0 CA--C 1.557 2.709 0 CA-C-O 117.544 -1.698 . . . . 0.0 110.732 168.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -140.05 24.23 2.36 Favored 'General case' 0 CA--C 1.602 2.966 0 CA-C-O 125.265 2.459 . . . . 0.0 115.881 175.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 23.9 p -139.96 -178.21 5.34 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 118.573 -2.579 . . . . 0.0 116.226 159.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 22.4 ttm -106.48 107.1 17.94 Favored 'General case' 0 C--O 1.257 1.456 0 C-N-CA 125.896 1.678 . . . . 0.0 110.039 169.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 31.9 mm -73.31 148.38 8.89 Favored 'Isoleucine or valine' 1 N--CA 1.539 4.003 0 O-C-N 127.593 3.058 . . . . 0.0 107.388 175.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -122.42 150.87 41.88 Favored 'General case' 0 CA--C 1.465 -2.303 0 O-C-N 117.094 -3.504 . . . . 0.0 112.534 168.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 60.6 p -158.85 -179.81 8.4 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 117.967 -2.958 . . . . 0.0 111.372 -166.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' B' ' 36' ' ' SER . 21.0 mt -85.47 137.66 32.75 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 117.043 -3.536 . . . . 0.0 110.572 173.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -51.85 -56.04 16.38 Favored 'General case' 0 C--O 1.182 -2.499 0 CA-C-O 114.104 -2.855 . . . . 0.0 115.309 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 18.5 p30 -156.87 173.8 16.45 Favored 'General case' 0 CA--C 1.6 2.884 0 C-N-CA 126.842 2.057 . . . . 0.0 111.587 166.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 2.8 pp -58.36 -16.63 7.92 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.038 0 O-C-N 126.526 2.391 . . . . 0.0 114.76 -171.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -56.2 -68.74 0.18 Allowed 'General case' 0 C--O 1.189 -2.086 0 CA-C-O 125.511 2.577 . . . . 0.0 109.81 -177.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . 0.307 0.9 OUTLIER -76.81 -16.06 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 N-CA-C 119.381 3.104 . . . . 0.0 119.381 -177.145 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.01 -35.41 80.13 Favored 'General case' 0 C--N 1.308 -1.209 0 C-N-CA 124.439 1.095 . . . . 0.0 111.953 162.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 10.4 m -81.49 -31.91 32.68 Favored 'General case' 0 CA--C 1.574 1.883 0 C-N-CA 128.472 2.709 . . . . 0.0 111.25 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . 0.417 ' C ' ' SD ' ' B' ' 90' ' ' MET . 13.4 tmm? -61.17 -52.7 63.74 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 118.648 -2.532 . . . . 0.0 109.839 169.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.428 ' CD2' ' H ' ' B' ' 33' ' ' GLU . 6.8 tt -68.89 -40.25 79.32 Favored 'General case' 0 C--N 1.392 2.438 0 C-N-CA 126.64 1.976 . . . . 0.0 110.467 -174.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -52.51 -40.65 62.65 Favored 'General case' 0 N--CA 1.52 3.068 0 O-C-N 120.197 -1.564 . . . . 0.0 113.917 167.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -84.9 -17.78 36.76 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 -170.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.34 -39.56 74.63 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 167.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.417 HD12 HG21 ' A' ' 16' ' ' VAL . 1.3 mp -66.18 -34.26 69.01 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.606 0 C-N-CA 127.668 2.387 . . . . 0.0 108.485 170.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -78.95 -39.34 34.78 Favored 'General case' 0 C--O 1.177 -2.721 0 O-C-N 119.828 -1.795 . . . . 0.0 107.73 -171.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . 0.261 3.7 t60 -62.86 -32.53 73.78 Favored 'General case' 0 N--CA 1.423 -1.803 0 CA-C-O 124.742 2.21 . . . . 0.0 114.334 174.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.469 ' CB ' HG22 ' A' ' 16' ' ' VAL . . . -86.27 -9.73 55.91 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 119.353 3.094 . . . . 0.0 119.353 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -131.19 47.73 2.5 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -55.44 128.94 68.8 Favored Pre-proline 0 CA--C 1.564 1.483 0 CA-C-N 120.456 1.48 . . . . 0.0 112.196 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . 0.259 35.4 Cg_exo -77.9 -3.02 13.12 Favored 'Trans proline' 0 N--CA 1.443 -1.448 0 CA-C-O 112.055 -3.394 . . . . 0.0 116.514 173.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -167.83 112.83 0.68 Allowed 'General case' 0 N--CA 1.537 3.888 1 O-C-N 130.987 5.179 . . . . 0.0 110.076 -176.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 . . . . . 0 CA--C 1.498 -1.057 0 CA-C-N 112.539 -2.118 . . . . 0.0 114.795 165.518 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 . . . . . 0 N--CA 1.502 2.166 0 CA-C-O 118.024 -0.988 . . . . 0.0 109.198 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 p -147.03 -19.2 0.4 Allowed 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 118.403 2.742 . . . . 0.0 118.403 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 46.11 -38.76 0.0 OUTLIER 'General case' 0 C--N 1.38 1.924 1 C-N-CA 134.893 5.277 . . . . 0.0 114.666 173.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.4 p -151.12 -20.57 0.21 Allowed 'General case' 0 CA--C 1.593 2.599 0 O-C-N 116.73 -3.731 . . . . 0.0 111.999 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -53.01 -26.59 15.99 Favored 'General case' 0 N--CA 1.525 3.278 1 N-CA-C 122.555 4.28 . . . . 0.0 122.555 -170.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.294 22.9 mt-10 -70.21 -28.18 65.08 Favored 'General case' 0 C--O 1.276 2.498 0 O-C-N 117.459 -3.275 . . . . 0.0 116.391 164.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -72.66 -17.51 61.64 Favored 'General case' 0 N--CA 1.413 -2.299 0 CA-C-O 115.055 -2.402 . . . . 0.0 110.835 171.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.45 HG12 ' CE2' ' A' ' 20' ' ' PHE . 61.2 t -90.43 -46.23 14.86 Favored 'Isoleucine or valine' 0 CA--C 1.471 -2.084 0 C-N-CA 126.779 2.032 . . . . 0.0 113.323 176.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.4 p -56.0 -27.81 54.56 Favored 'General case' 0 N--CA 1.518 2.942 0 CA-C-N 119.492 1.042 . . . . 0.0 111.382 165.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -56.15 -22.51 29.07 Favored 'General case' 0 N--CA 1.506 2.346 1 CA-C-O 111.401 -4.142 . . . . 0.0 114.539 166.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.274 2.6 pp -113.18 26.79 3.23 Favored 'Isoleucine or valine' 0 C--O 1.275 2.429 0 O-C-N 126.38 2.3 . . . . 0.0 113.091 168.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.45 ' CE2' HG12 ' A' ' 16' ' ' VAL 0.307 12.4 m-85 -113.75 -28.66 7.36 Favored 'General case' 0 CA--C 1.585 2.29 0 CA-C-N 123.117 2.689 . . . . 0.0 111.413 167.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -57.17 43.91 0.0 OUTLIER 'General case' 1 CA--C 1.644 4.588 1 C-N-CA 134.792 5.237 . . . . 0.0 110.205 148.909 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -166.17 -8.18 0.02 OUTLIER 'General case' 0 C--O 1.279 2.608 0 C-N-CA 128.734 2.814 . . . . 0.0 107.644 -170.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.7 mt -107.54 -127.76 0.26 Allowed 'General case' 0 C--O 1.262 1.712 0 C-N-CA 128.354 2.662 . . . . 0.0 104.668 -174.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.3 15.52 70.24 Favored Glycine 0 C--N 1.385 3.287 0 CA-C-O 117.898 -1.501 . . . . 0.0 114.68 161.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -149.7 161.86 41.37 Favored 'General case' 0 CA--C 1.585 2.316 0 CA-C-N 121.303 2.551 . . . . 0.0 107.549 -176.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -91.52 -65.74 0.98 Allowed 'General case' 0 C--N 1.353 0.729 0 CA-C-N 125.649 3.841 . . . . 0.0 115.436 -175.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -54.02 -50.91 65.58 Favored 'General case' 0 N--CA 1.413 -2.31 0 CA-C-N 124.644 3.384 . . . . 0.0 109.469 -177.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -12.91 -54.82 0.0 OUTLIER 'General case' 0 C--N 1.394 2.507 0 C-N-CA 131.465 3.906 . . . . 0.0 117.062 160.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.2 pt -98.23 -11.22 8.65 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.856 0 O-C-N 126.97 2.669 . . . . 0.0 114.905 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.495 ' HA ' HD21 ' B' ' 13' ' ' LEU . 24.7 ttp85 -84.75 -19.86 31.98 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-O 126.197 2.903 . . . . 0.0 110.731 176.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.6 mt -72.95 -34.9 47.43 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.288 0 CA-C-N 111.958 -2.383 . . . . 0.0 108.559 167.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.438 ' HB3' ' CD1' ' A' ' 91' ' ' LEU . 55.3 mtm -90.58 -37.98 13.46 Favored 'General case' 0 C--O 1.199 -1.567 0 O-C-N 118.186 -2.821 . . . . 0.0 115.843 -170.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -30.63 -37.21 0.02 OUTLIER 'General case' 0 N--CA 1.536 3.868 0 C-N-CA 131.533 3.933 . . . . 0.0 112.259 138.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.374 0.5 OUTLIER -87.49 -54.25 4.38 Favored 'General case' 0 C--O 1.253 1.259 0 CA-C-O 113.69 -3.052 . . . . 0.0 113.444 -179.116 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.414 ' CD2' ' H ' ' A' ' 40' ' ' ALA 0.29 26.2 mt -52.58 -19.14 2.11 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-N 122.7 2.5 . . . . 0.0 116.05 170.074 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.254 56.3 m -64.73 -24.25 67.51 Favored 'General case' 0 N--CA 1.433 -1.306 0 C-N-CA 127.009 2.124 . . . . 0.0 114.174 173.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.0 m -123.02 -24.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 N-CA-C 116.246 1.943 . . . . 0.0 116.246 171.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.2 m -144.68 111.19 5.65 Favored 'General case' 0 C--O 1.178 -2.67 0 O-C-N 119.695 -1.878 . . . . 0.0 106.583 -178.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -75.39 114.82 14.37 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 114.735 -2.555 . . . . 0.0 112.523 -172.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.414 ' H ' ' CD2' ' A' ' 35' ' ' LEU . . . -136.55 144.32 44.15 Favored 'General case' 0 N--CA 1.432 -1.334 1 CA-C-N 126.801 4.364 . . . . 0.0 112.552 -167.291 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.9 t -96.22 160.51 14.4 Favored 'General case' 0 CA--C 1.58 2.123 1 O-C-N 114.764 -4.96 . . . . 0.0 112.74 -178.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.434 HG13 ' HB ' ' A' ' 56' ' ' VAL 0.252 18.0 t -18.06 -59.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.395 -3.22 0 N-CA-C 121.132 3.753 . . . . 0.0 121.132 171.214 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.47 -52.52 47.32 Favored Glycine 0 CA--C 1.562 3.007 0 CA-C-O 127.08 3.6 . . . . 0.0 114.926 175.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -77.97 -28.62 49.44 Favored 'General case' 0 CA--C 1.577 1.999 0 CA-C-O 115.09 -2.386 . . . . 0.0 112.143 -170.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.61 HG23 HD13 ' A' ' 49' ' ' LEU . 55.9 mt -58.18 -57.3 11.3 Favored 'Isoleucine or valine' 0 C--O 1.262 1.721 0 CA-C-N 120.571 1.532 . . . . 0.0 114.509 159.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.1 m -49.06 -40.49 31.7 Favored 'General case' 0 C--O 1.188 -2.174 0 CA-C-O 124.356 2.027 . . . . 0.0 114.849 172.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -67.01 -55.13 15.73 Favored 'General case' 0 C--N 1.365 1.27 0 O-C-N 117.373 -3.329 . . . . 0.0 114.658 170.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . 0.486 48.9 tt0 -65.47 -28.92 69.56 Favored 'General case' 0 N--CA 1.505 2.287 0 N-CA-C 119.316 3.08 . . . . 0.0 119.316 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.61 HD13 HG23 ' A' ' 45' ' ' ILE . 4.5 mp -119.64 4.77 11.07 Favored 'General case' 0 C--O 1.207 -1.132 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 -174.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.4 m120 58.47 60.09 2.72 Favored 'General case' 0 N--CA 1.423 -1.821 0 O-C-N 117.128 -3.483 . . . . 0.0 112.121 171.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.6 mt -119.45 -132.16 0.31 Allowed 'General case' 0 CA--C 1.6 2.9 0 CA-C-N 111.484 -2.598 . . . . 0.0 110.457 173.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.9 p -158.58 143.46 16.15 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 129.496 3.118 . . . . 0.0 109.783 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -68.12 -43.07 79.22 Favored 'General case' 0 CA--C 1.61 3.282 0 C-N-CA 126.539 1.936 . . . . 0.0 108.699 -171.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.0 p -57.89 -39.22 77.36 Favored 'General case' 1 N--CA 1.555 4.81 0 CA-C-O 122.969 1.366 . . . . 0.0 111.728 177.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -79.7 -45.29 19.24 Favored 'General case' 0 CA--C 1.569 1.709 0 CA-C-N 113.293 -1.776 . . . . 0.0 106.67 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.434 ' HB ' HG13 ' A' ' 42' ' ' VAL . 22.8 t -72.36 -21.49 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 1 O-C-N 115.529 -4.482 . . . . 0.0 117.506 173.025 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.9 m -63.04 6.39 0.11 Allowed 'General case' 0 N--CA 1.437 -1.077 1 O-C-N 112.765 -6.209 . . . . 0.0 115.509 156.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -123.91 -32.21 3.3 Favored 'General case' 0 C--O 1.246 0.884 0 C-N-CA 128.039 2.536 . . . . 0.0 113.73 167.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -87.9 -48.46 7.79 Favored 'General case' 0 N--CA 1.531 3.587 0 N-CA-C 106.144 -1.799 . . . . 0.0 106.144 -170.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.525 HD21 ' CD1' ' A' ' 80' ' ' TYR . 18.5 tp -60.37 -39.35 86.91 Favored 'General case' 0 N--CA 1.42 -1.927 0 O-C-N 125.946 2.029 . . . . 0.0 111.157 173.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -60.59 -46.18 91.2 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 172.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.595 HD13 ' N ' ' A' ' 63' ' ' LEU . 1.5 tm? -60.27 -58.61 7.77 Favored 'General case' 0 CA--C 1.604 3.052 0 O-C-N 118.628 -2.545 . . . . 0.0 110.619 174.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.595 ' N ' HD13 ' A' ' 62' ' ' LEU . 65.4 mt -52.37 -37.12 55.49 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 117.954 -1.499 . . . . 0.0 112.539 -178.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.5 ttpp -51.99 -45.21 64.42 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 125.253 2.454 . . . . 0.0 112.419 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.3 m -72.97 -18.38 61.37 Favored 'General case' 0 N--CA 1.506 2.349 0 C-N-CA 129.985 3.314 . . . . 0.0 119.756 -176.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.314 29.8 m -96.96 2.81 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.258 0 CA-C-N 111.763 -2.471 . . . . 0.0 115.882 169.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.303 11.5 p80 65.37 24.23 12.04 Favored 'General case' 0 C--N 1.372 1.552 0 C-N-CA 130.221 3.408 . . . . 0.0 114.607 172.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.2 mp -81.81 -18.47 43.91 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 124.662 2.172 . . . . 0.0 111.604 168.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 t -128.74 150.52 34.48 Favored 'Isoleucine or valine' 0 C--N 1.376 1.735 0 C-N-CA 128.229 2.612 . . . . 0.0 110.676 -169.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -138.8 135.6 34.79 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 128.85 2.86 . . . . 0.0 116.673 170.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.416 ' HB2' ' CE2' ' A' ' 80' ' ' TYR . . . -84.11 144.2 29.19 Favored 'General case' 0 CA--C 1.582 2.208 0 CA-C-O 125.596 2.617 . . . . 0.0 116.242 165.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.7 tttt -138.85 131.87 29.59 Favored 'General case' 0 N--CA 1.513 2.688 1 O-C-N 115.264 -4.648 . . . . 0.0 110.694 173.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 69.2 ttt-85 -80.76 139.55 36.01 Favored 'General case' 0 CA--C 1.572 1.796 0 C-N-CA 125.791 1.636 . . . . 0.0 113.016 -174.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -130.44 92.23 3.23 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 103.579 -2.748 . . . . 0.0 103.579 157.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 59.08 -124.5 36.87 Favored Glycine 0 C--O 1.295 3.932 0 O-C-N 117.755 -3.091 . . . . 0.0 111.695 172.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -70.1 5.73 1.53 Allowed 'General case' 0 CA--C 1.594 2.654 0 C-N-CA 124.548 1.139 . . . . 0.0 113.355 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.5 m -149.26 154.29 38.82 Favored 'General case' 0 CA--C 1.618 3.559 0 O-C-N 119.447 -2.033 . . . . 0.0 111.391 -159.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.2 mmt -125.8 147.53 49.39 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-N 121.405 1.912 . . . . 0.0 106.183 -172.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.4 mm -112.35 152.74 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 C-N-CA 126.235 1.814 . . . . 0.0 109.703 168.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.525 ' CD1' HD21 ' A' ' 60' ' ' LEU . 50.1 m-85 -129.6 146.59 51.39 Favored 'General case' 0 C--O 1.187 -2.232 0 CA-C-O 125.29 2.471 . . . . 0.0 112.786 -176.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.9 m -138.6 168.61 19.42 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 129.161 2.985 . . . . 0.0 109.906 -173.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -65.01 156.05 32.64 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 115.956 -1.973 . . . . 0.0 113.341 161.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -66.38 -48.13 71.15 Favored 'General case' 0 N--CA 1.529 3.502 0 CA-C-N 121.475 1.943 . . . . 0.0 113.276 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -154.45 -177.15 6.26 Favored 'General case' 0 CA--C 1.566 1.568 0 O-C-N 120.493 -1.38 . . . . 0.0 110.621 161.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.462 ' HA ' ' HB3' ' A' ' 88' ' ' ALA 0.276 8.8 tp -62.57 -23.14 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.134 0 C-N-CA 127.093 2.157 . . . . 0.0 113.729 -176.38 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -65.4 -47.34 76.64 Favored 'General case' 0 C--O 1.187 -2.218 0 CA-C-N 122.554 2.434 . . . . 0.0 113.559 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.75 -49.23 52.58 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.06 0 C-N-CA 128.6 2.76 . . . . 0.0 110.324 172.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.462 ' HB3' ' HA ' ' A' ' 85' ' ' ILE . . . -44.39 -49.4 9.67 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 119.566 -1.959 . . . . 0.0 112.19 169.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 59.7 m -69.18 -37.03 77.95 Favored 'General case' 0 N--CA 1.504 2.244 0 CA-C-N 112.907 -1.951 . . . . 0.0 114.123 176.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 36.7 ttp -60.17 -45.84 91.74 Favored 'General case' 0 C--O 1.27 2.169 0 C-N-CA 126.968 2.107 . . . . 0.0 109.396 171.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' A' ' 32' ' ' MET . 5.4 tt -67.81 -56.41 9.29 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 123.544 2.884 . . . . 0.0 105.584 176.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -54.32 -48.0 71.83 Favored 'General case' 0 C--N 1.264 -3.14 0 O-C-N 125.9 2.0 . . . . 0.0 112.659 -169.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -71.11 -11.62 61.05 Favored 'General case' 0 CA--C 1.578 2.047 0 CA-C-O 122.551 1.167 . . . . 0.0 114.061 175.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -85.54 -46.32 10.94 Favored 'General case' 0 C--N 1.379 1.891 0 N-CA-C 106.27 -1.752 . . . . 0.0 106.27 172.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.602 HD12 HG11 ' B' ' 16' ' ' VAL 0.35 1.1 mp -52.34 -7.43 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.507 2.402 0 C-N-CA 129.319 3.048 . . . . 0.0 113.939 165.081 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -109.55 -8.18 15.03 Favored 'General case' 0 CA--C 1.583 2.241 0 C-N-CA 130.131 3.372 . . . . 0.0 116.045 173.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -116.85 4.16 12.92 Favored 'General case' 0 CA--C 1.579 2.077 0 CA-C-N 124.168 3.167 . . . . 0.0 112.647 172.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.56 -30.85 71.25 Favored 'General case' 0 CA--C 1.496 -1.096 0 N-CA-C 117.598 2.444 . . . . 0.0 117.598 166.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . 0.251 14.7 p-10 -146.79 164.45 32.77 Favored 'General case' 0 C--O 1.274 2.383 0 C-N-CA 129.701 3.2 . . . . 0.0 109.546 177.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 70.4 m80 -149.03 57.29 2.84 Favored Pre-proline 0 C--O 1.187 -2.219 0 O-C-N 117.417 -3.302 . . . . 0.0 113.593 -172.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -83.18 163.87 15.18 Favored 'Trans proline' 0 C--N 1.385 2.46 0 C-N-CA 124.23 3.287 . . . . 0.0 117.525 -172.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 61.4 tttt -64.29 144.76 56.91 Favored 'General case' 0 N--CA 1.433 -1.32 0 O-C-N 119.207 -2.183 . . . . 0.0 109.554 177.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 C--O 1.27 2.149 1 CA-C-O 111.237 -4.221 . . . . 0.0 110.291 175.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 8.1 m120 . . . . . 0 CA--C 1.481 -1.711 0 CA-C-O 117.561 -1.209 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.8 p -138.68 5.58 2.42 Favored 'General case' 0 N--CA 1.52 3.042 0 CA-C-N 122.859 2.572 . . . . 0.0 114.645 -177.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 49.98 -19.15 0.0 OUTLIER 'General case' 0 N--CA 1.538 3.96 0 N-CA-C 120.204 3.409 . . . . 0.0 120.204 -168.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 77.8 p -140.79 -66.39 0.43 Allowed 'General case' 0 C--N 1.365 1.253 0 O-C-N 117.354 -3.341 . . . . 0.0 108.718 -162.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.496 HD22 HD11 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -35.1 -66.15 0.19 Allowed 'General case' 0 CA--C 1.573 1.862 0 O-C-N 127.837 3.211 . . . . 0.0 117.857 167.189 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -65.48 20.42 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.669 0 N-CA-C 118.731 2.863 . . . . 0.0 118.731 -177.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -144.49 -15.44 0.56 Allowed 'General case' 0 C--O 1.261 1.688 1 C-N-CA 132.075 4.15 . . . . 0.0 115.639 -177.02 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.602 HG11 HD12 ' A' ' 95' ' ' ILE . 5.1 m -85.65 -20.9 7.9 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.13 0 O-C-N 118.045 -2.909 . . . . 0.0 116.725 158.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.6 p -57.69 -28.16 63.56 Favored 'General case' 0 N--CA 1.435 -1.192 0 O-C-N 119.828 -1.795 . . . . 0.0 112.864 172.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -70.19 -33.32 71.58 Favored 'General case' 0 C--O 1.201 -1.456 0 O-C-N 118.423 -2.673 . . . . 0.0 114.339 169.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.49 HD13 HG21 ' B' ' 19' ' ' ILE . 25.8 mt -71.2 -63.07 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.407 -2.58 0 O-C-N 123.605 0.565 . . . . 0.0 110.215 178.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -23.81 66.03 Favored 'General case' 0 N--CA 1.416 -2.126 0 C-N-CA 131.088 3.755 . . . . 0.0 113.168 -161.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -92.56 -26.39 17.92 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 128.27 3.481 . . . . 0.0 113.288 166.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.58 -10.95 59.76 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 124.585 3.357 . . . . 0.0 113.297 174.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 28.0 mt -63.9 -7.97 9.79 Favored 'General case' 0 C--N 1.382 1.987 0 C-N-CA 127.031 2.133 . . . . 0.0 112.088 173.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.3 29.6 1.42 Allowed Glycine 0 CA--C 1.569 3.44 0 C-N-CA 125.376 1.465 . . . . 0.0 115.982 -164.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -142.57 130.52 21.78 Favored 'General case' 0 N--CA 1.513 2.692 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 162.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.5 ' CD1' ' C ' ' B' ' 26' ' ' TYR . 0.6 OUTLIER -69.74 -15.5 63.15 Favored 'General case' 0 CA--C 1.563 1.474 0 C-N-CA 117.143 -1.823 . . . . 0.0 109.677 -166.073 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -75.45 -43.69 48.24 Favored 'General case' 0 C--N 1.378 1.812 1 O-C-N 115.21 -4.681 . . . . 0.0 114.948 175.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -45.74 -31.53 2.04 Favored 'General case' 0 C--N 1.373 1.588 1 O-C-N 129.74 4.4 . . . . 0.0 111.771 163.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 29.9 mm -94.82 -41.93 12.35 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.981 0 CA-C-O 116.579 -1.677 . . . . 0.0 109.395 -173.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -55.62 -29.08 58.56 Favored 'General case' 1 N--CA 1.55 4.573 0 O-C-N 126.529 2.393 . . . . 0.0 115.68 176.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 13.6 mt -59.82 -67.78 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.169 -3.154 0 O-C-N 128.925 3.891 . . . . 0.0 109.695 173.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . 0.588 ' HB2' HD21 ' B' ' 82' ' ' LEU 0.466 0.0 OUTLIER -80.07 -28.12 39.23 Favored 'General case' 0 CA--C 1.568 1.646 0 CA-C-O 115.866 -2.016 . . . . 0.0 114.93 -170.465 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.451 ' HA ' HD22 ' B' ' 91' ' ' LEU . 3.6 tm-20 -35.92 -41.63 0.24 Allowed 'General case' 0 CA--C 1.613 3.399 0 CA-C-N 120.136 1.335 . . . . 0.0 114.413 143.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.501 HD13 ' C ' ' B' ' 34' ' ' LEU 0.302 1.7 tm? -83.92 -43.02 15.69 Favored 'General case' 0 N--CA 1.523 3.175 0 CA-C-N 123.855 3.025 . . . . 0.0 111.94 -178.069 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 17.3 mt -49.17 -27.06 3.23 Favored 'General case' 0 C--N 1.391 2.409 0 N-CA-C 116.231 1.937 . . . . 0.0 116.231 167.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 2.1 p -65.11 -21.49 66.81 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 131.175 3.79 . . . . 0.0 113.231 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 m -122.55 -38.5 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.472 -2.045 0 CA-C-O 116.807 -1.568 . . . . 0.0 112.535 177.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 19.8 m -149.47 145.49 26.93 Favored 'General case' 0 N--CA 1.506 2.363 0 CA-C-O 125.607 2.623 . . . . 0.0 110.5 169.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -83.07 112.75 20.08 Favored 'General case' 0 C--O 1.263 1.768 0 O-C-N 116.81 -3.681 . . . . 0.0 110.39 -167.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . 0.279 . . -118.9 138.29 52.87 Favored 'General case' 0 CA--C 1.582 2.176 0 CA-C-N 121.962 2.164 . . . . 0.0 106.907 -177.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 13.5 t -75.61 145.41 41.14 Favored 'General case' 0 CA--C 1.46 -2.509 0 C-N-CA 129.706 3.203 . . . . 0.0 113.604 159.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 63.2 t -9.22 -46.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.514 2.761 0 N-CA-C 119.456 3.132 . . . . 0.0 119.456 167.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.92 -49.63 7.54 Favored Glycine 0 C--N 1.343 0.921 0 O-C-N 120.826 -1.171 . . . . 0.0 112.276 -178.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.271 30.5 t-80 -73.56 -22.96 59.92 Favored 'General case' 0 C--N 1.364 1.2 0 CA-C-O 117.785 -1.103 . . . . 0.0 113.145 177.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.454 HG23 HD13 ' B' ' 49' ' ' LEU . 65.7 mt -65.72 -52.88 44.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 O-C-N 127.514 3.008 . . . . 0.0 106.088 166.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 49.7 m -56.83 1.65 0.03 OUTLIER 'General case' 0 C--O 1.284 2.872 0 N-CA-C 119.256 3.058 . . . . 0.0 119.256 170.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -113.4 -51.67 2.8 Favored 'General case' 0 C--N 1.38 1.903 0 C-N-CA 127.527 2.331 . . . . 0.0 114.616 172.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . 0.343 80.8 mm-40 -68.63 -27.98 66.5 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 117.955 -2.965 . . . . 0.0 115.202 170.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.454 HD13 HG23 ' B' ' 45' ' ' ILE 0.277 1.0 OUTLIER -96.64 -13.8 22.58 Favored 'General case' 0 C--O 1.184 -2.369 0 C-N-CA 126.595 1.958 . . . . 0.0 116.069 165.556 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 19.0 m120 49.3 50.36 18.18 Favored 'General case' 1 N--CA 1.553 4.683 0 N-CA-C 117.761 2.504 . . . . 0.0 117.761 -166.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 60.7 mt -92.06 168.05 11.65 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 114.34 -2.743 . . . . 0.0 111.915 163.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 33.6 t -84.43 138.4 32.85 Favored 'General case' 0 N--CA 1.433 -1.324 0 CA-C-N 121.106 1.775 . . . . 0.0 114.492 161.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -61.41 -21.46 64.11 Favored 'General case' 0 CA--C 1.555 1.136 0 O-C-N 127.816 3.197 . . . . 0.0 109.441 -176.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 14.9 m -74.76 -31.29 61.74 Favored 'General case' 0 CA--C 1.608 3.205 0 O-C-N 118.515 -2.615 . . . . 0.0 112.358 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -90.5 -34.27 15.63 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 125.649 1.843 . . . . 0.0 112.786 -175.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 50.6 t -68.28 -30.6 48.33 Favored 'Isoleucine or valine' 0 C--O 1.257 1.492 0 CA-C-O 112.855 -3.45 . . . . 0.0 112.031 169.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 14.9 m -63.83 12.31 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 158.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -126.23 -35.34 2.43 Favored 'General case' 0 CA--C 1.59 2.518 0 O-C-N 119.004 -2.31 . . . . 0.0 107.899 173.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -91.64 -43.56 9.55 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-O 115.552 -2.166 . . . . 0.0 111.715 -166.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.425 ' HA ' HD12 ' B' ' 60' ' ' LEU . 8.1 tp -49.94 -47.3 52.54 Favored 'General case' 1 CA--C 1.638 4.345 0 O-C-N 126.507 2.38 . . . . 0.0 113.556 157.797 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -71.88 -36.95 70.22 Favored 'General case' 0 CA--C 1.574 1.886 0 O-C-N 119.778 -1.826 . . . . 0.0 112.758 -176.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.542 HD13 ' N ' ' B' ' 63' ' ' LEU . 1.7 tm? -49.32 -61.68 1.96 Allowed 'General case' 0 CA--C 1.508 -0.645 0 O-C-N 119.029 -2.295 . . . . 0.0 110.632 158.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.542 ' N ' HD13 ' B' ' 62' ' ' LEU . 21.3 mt -66.84 -33.01 74.67 Favored 'General case' 0 N--CA 1.513 2.704 0 CA-C-O 123.673 1.702 . . . . 0.0 110.28 -166.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -51.64 -50.05 61.06 Favored 'General case' 0 C--O 1.26 1.638 0 CA-C-N 114.164 -1.38 . . . . 0.0 110.284 164.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.6 m -82.19 5.13 20.81 Favored 'General case' 0 C--O 1.265 1.905 0 C-N-CA 125.997 1.719 . . . . 0.0 115.192 -173.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 14.8 m -127.95 29.09 1.87 Allowed 'Isoleucine or valine' 0 C--O 1.177 -2.756 0 CA-C-O 116.728 -1.606 . . . . 0.0 110.829 161.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 54.83 11.28 0.45 Allowed 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 129.458 3.103 . . . . 0.0 117.979 162.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.543 ' HB3' ' SD ' ' B' ' 32' ' ' MET 0.3 11.6 mt -74.24 -36.1 63.88 Favored 'General case' 0 C--O 1.271 2.19 0 O-C-N 118.594 -2.566 . . . . 0.0 106.88 163.817 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.1 t -104.4 152.0 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 127.616 2.366 . . . . 0.0 115.136 175.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -127.66 156.48 42.27 Favored 'General case' 0 C--N 1.358 0.937 0 O-C-N 125.479 1.737 . . . . 0.0 112.618 157.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . 0.423 ' HB2' ' CE2' ' B' ' 80' ' ' TYR . . . -91.19 151.24 21.03 Favored 'General case' 0 CA--C 1.565 1.519 0 CA-C-O 114.272 -2.775 . . . . 0.0 112.186 163.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 32.4 pttt -151.25 158.0 43.32 Favored 'General case' 0 CA--C 1.588 2.431 0 CA-C-N 123.291 2.769 . . . . 0.0 108.768 166.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -104.19 138.28 40.9 Favored 'General case' 0 CA--C 1.501 -0.905 1 CA-C-N 126.145 4.066 . . . . 0.0 108.118 -174.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -144.52 109.07 4.88 Favored 'General case' 0 N--CA 1.4 -2.942 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.18 -98.77 0.21 Allowed Glycine 0 CA--C 1.479 -2.166 0 CA-C-O 124.462 2.145 . . . . 0.0 112.468 172.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -112.29 11.93 20.19 Favored 'General case' 0 N--CA 1.504 2.231 0 C-N-CA 128.417 2.687 . . . . 0.0 116.766 -170.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 77.2 p -161.28 172.36 16.76 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 120.028 -1.67 . . . . 0.0 111.127 168.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.422 ' SD ' ' HB1' ' B' ' 71' ' ' ALA . 4.2 ttt -104.82 119.21 38.47 Favored 'General case' 0 N--CA 1.404 -2.745 0 O-C-N 118.202 -2.812 . . . . 0.0 108.051 175.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 9.8 mm -92.78 155.1 3.14 Favored 'Isoleucine or valine' 0 C--N 1.424 3.808 0 C-N-CA 130.76 3.624 . . . . 0.0 110.759 -173.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . 0.423 ' CE2' ' HB2' ' B' ' 71' ' ' ALA . 73.8 m-85 -134.43 141.77 46.91 Favored 'General case' 0 C--O 1.219 -0.505 0 O-C-N 118.972 -2.33 . . . . 0.0 111.151 -175.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 6.1 p -137.27 163.07 31.83 Favored 'General case' 0 C--O 1.253 1.259 0 C-N-CA 129.148 2.979 . . . . 0.0 106.39 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.588 HD21 ' HB2' ' B' ' 32' ' ' MET . 5.0 mt -56.34 129.85 42.17 Favored 'General case' 0 CA--C 1.59 2.49 0 C-N-CA 126.703 2.001 . . . . 0.0 106.759 159.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -49.82 -55.05 15.62 Favored 'General case' 0 CA--C 1.588 2.413 0 O-C-N 119.848 -1.782 . . . . 0.0 114.442 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 27.5 p30 -140.8 -178.85 5.73 Favored 'General case' 0 N--CA 1.512 2.649 0 O-C-N 119.192 -2.192 . . . . 0.0 113.683 161.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.2 pp -61.54 -17.17 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.986 0 C-N-CA 126.717 2.007 . . . . 0.0 111.577 -177.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -66.49 -62.76 1.29 Allowed 'General case' 0 C--O 1.196 -1.743 0 O-C-N 125.91 2.006 . . . . 0.0 107.213 -173.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.462 HG21 ' HA ' ' B' ' 68' ' ' LEU . 1.8 m -74.07 -26.37 20.93 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.405 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.622 -175.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.417 ' CB ' HD13 ' B' ' 82' ' ' LEU . . . -53.35 -47.27 69.53 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.445 -1.409 . . . . 0.0 109.747 170.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 88.3 m -70.21 -31.38 68.79 Favored 'General case' 0 N--CA 1.432 -1.36 0 CA-C-O 127.2 3.381 . . . . 0.0 112.495 -176.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 11.5 tmm? -66.81 -44.5 81.04 Favored 'General case' 0 CA--C 1.6 2.886 0 O-C-N 117.853 -3.029 . . . . 0.0 110.805 176.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.451 HD22 ' HA ' ' B' ' 33' ' ' GLU 0.283 4.5 tt -62.49 -52.47 63.37 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-N 112.699 -2.046 . . . . 0.0 109.358 -178.789 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -54.71 -43.29 72.44 Favored 'General case' 0 CA--C 1.562 1.427 0 C-N-CA 126.768 2.027 . . . . 0.0 111.006 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -76.73 -13.77 60.0 Favored 'General case' 0 N--CA 1.435 -1.2 0 O-C-N 117.395 -3.316 . . . . 0.0 116.159 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.65 -41.59 37.76 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 124.847 1.259 . . . . 0.0 112.166 162.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.29 -35.65 59.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 CA-C-N 123.061 2.664 . . . . 0.0 107.257 168.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.32 -34.62 42.12 Favored 'General case' 0 N--CA 1.504 2.273 0 C-N-CA 128.329 2.652 . . . . 0.0 114.848 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -78.14 -17.6 56.68 Favored 'General case' 0 C--O 1.275 2.418 0 CA-C-N 122.691 2.496 . . . . 0.0 115.015 166.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -80.3 -23.86 40.39 Favored 'General case' 0 N--CA 1.413 -2.295 0 C-N-CA 128.277 2.631 . . . . 0.0 113.631 168.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -134.91 94.56 3.17 Favored 'General case' 0 CA--C 1.567 1.633 1 C-N-CA 131.755 4.022 . . . . 0.0 118.281 173.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 45.2 m170 -88.96 148.82 42.06 Favored Pre-proline 0 N--CA 1.494 1.759 0 CA-C-N 110.088 -3.233 . . . . 0.0 107.025 176.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -70.59 -48.12 0.59 Allowed 'Trans proline' 0 CA--C 1.549 1.245 0 C-N-CA 124.356 3.371 . . . . 0.0 111.284 -176.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -140.42 151.86 45.24 Favored 'General case' 0 CA--C 1.586 2.337 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 CA--C 1.567 1.632 0 N-CA-C 116.95 2.204 . . . . 0.0 116.95 -168.043 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.5 m120 . . . . . 0 N--CA 1.416 -2.151 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.6 p -145.79 -35.23 0.3 Allowed 'General case' 0 C--N 1.282 -2.334 0 CA-C-O 117.549 -1.215 . . . . 0.0 110.156 -174.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.297 1.9 m-20 57.81 -38.58 0.05 OUTLIER 'General case' 0 C--N 1.365 1.272 0 N-CA-C 120.828 3.64 . . . . 0.0 120.828 -171.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 p -164.73 -33.36 0.03 OUTLIER 'General case' 0 N--CA 1.524 3.258 0 CA-C-N 111.764 -2.471 . . . . 0.0 111.089 -165.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.96 -39.7 20.11 Favored 'General case' 1 CA--C 1.633 4.149 0 C-N-CA 127.869 2.468 . . . . 0.0 117.062 -165.3 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -90.7 0.96 57.24 Favored 'General case' 0 CA--C 1.565 1.537 0 N-CA-C 116.18 1.918 . . . . 0.0 116.18 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -82.71 -23.59 34.01 Favored 'General case' 0 N--CA 1.516 2.864 0 C-N-CA 124.643 1.177 . . . . 0.0 111.542 150.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.402 HG13 HD11 ' A' ' 19' ' ' ILE . 82.7 t -84.59 -41.17 15.85 Favored 'Isoleucine or valine' 0 C--O 1.254 1.307 0 O-C-N 118.797 -2.439 . . . . 0.0 110.786 -175.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.9 p -53.05 -32.7 48.33 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 166.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -62.5 -17.25 59.27 Favored 'General case' 0 CA--C 1.585 2.312 0 C-N-CA 130.123 3.369 . . . . 0.0 110.222 173.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.402 HD11 HG13 ' A' ' 16' ' ' VAL 0.33 2.8 pp -106.36 6.98 9.93 Favored 'Isoleucine or valine' 0 C--N 1.383 2.028 0 N-CA-C 115.084 1.512 . . . . 0.0 115.084 165.892 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -103.79 -28.63 11.52 Favored 'General case' 0 C--N 1.385 2.119 0 O-C-N 118.913 -2.367 . . . . 0.0 110.137 167.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -61.51 54.21 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.076 3 O-C-N 114.184 -5.322 . . . . 0.0 108.882 144.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.433 ' H ' ' H ' ' A' ' 23' ' ' LEU 0.338 . . -174.62 -8.86 0.01 OUTLIER 'General case' 1 N--CA 1.542 4.135 0 CA-C-N 110.2 -3.182 . . . . 0.0 110.173 173.764 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.433 ' H ' ' H ' ' A' ' 22' ' ' ALA . 68.8 mt -97.04 -115.24 0.13 Allowed 'General case' 0 C--O 1.269 2.098 0 C-N-CA 124.861 1.264 . . . . 0.0 109.532 174.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.07 -5.01 0.01 OUTLIER Glycine 0 C--N 1.371 2.524 1 N-CA-C 124.231 4.452 . . . . 0.0 124.231 177.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -134.57 164.36 27.66 Favored 'General case' 0 CA--C 1.619 3.607 0 O-C-N 126.522 1.954 . . . . 0.0 109.912 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . 0.377 31.2 t80 -81.85 -78.62 0.19 Allowed 'General case' 0 C--N 1.345 0.398 0 C-N-CA 127.326 2.25 . . . . 0.0 114.201 -167.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.461 ' HA ' ' HB3' ' A' ' 30' ' ' ARG . 61.6 m-80 -51.78 -53.59 38.11 Favored 'General case' 0 C--O 1.201 -1.496 0 CA-C-O 114.886 -2.483 . . . . 0.0 113.341 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -28.92 -38.56 0.01 OUTLIER 'General case' 0 N--CA 1.531 3.614 0 N-CA-C 119.437 3.125 . . . . 0.0 119.437 168.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -103.29 -13.9 8.55 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.814 0 N-CA-C 119.451 3.13 . . . . 0.0 119.451 169.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.461 ' HB3' ' HA ' ' A' ' 27' ' ' ASN . 46.0 ttp85 -67.02 -22.13 65.9 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-O 115.946 -1.978 . . . . 0.0 111.976 161.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.3 mp -62.5 -47.03 94.92 Favored 'Isoleucine or valine' 0 C--O 1.174 -2.878 0 O-C-N 125.866 1.979 . . . . 0.0 108.045 162.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.434 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 72.1 mtm -86.2 -44.32 12.28 Favored 'General case' 0 N--CA 1.52 3.036 0 C-N-CA 117.36 -1.736 . . . . 0.0 112.688 -156.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.402 ' HB2' HD21 ' A' ' 91' ' ' LEU . 6.9 tm-20 -28.28 -35.94 0.01 OUTLIER 'General case' 0 C--N 1.379 1.891 0 O-C-N 119.324 -2.11 . . . . 0.0 113.986 148.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.55 -45.24 7.83 Favored 'General case' 0 CA--C 1.574 1.865 0 CA-C-N 125.44 3.745 . . . . 0.0 112.976 176.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.9 mt -52.88 -26.16 13.93 Favored 'General case' 0 N--CA 1.526 3.358 0 O-C-N 118.077 -2.89 . . . . 0.0 112.633 171.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.4 m -55.93 -16.59 4.94 Favored 'General case' 0 C--O 1.194 -1.846 0 CA-C-N 110.171 -3.195 . . . . 0.0 112.562 173.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.0 m -134.97 -23.62 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.711 0 CA-C-N 122.83 2.559 . . . . 0.0 115.879 -177.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.4 m -156.05 128.03 7.47 Favored 'General case' 0 C--O 1.254 1.3 0 C-N-CA 131.529 3.932 . . . . 0.0 114.375 177.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' HG2' ' HA ' ' A' ' 81' ' ' SER . 17.7 mt-10 -96.65 136.59 36.96 Favored 'General case' 0 CA--C 1.605 3.079 0 O-C-N 119.049 -2.282 . . . . 0.0 110.869 -163.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -139.73 143.84 37.21 Favored 'General case' 0 CA--C 1.481 -1.691 0 CA-C-N 113.24 -1.8 . . . . 0.0 112.726 -172.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -89.09 159.66 17.43 Favored 'General case' 0 N--CA 1.513 2.68 0 CA-C-O 121.349 0.595 . . . . 0.0 112.435 170.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.527 HG13 ' HB ' ' A' ' 56' ' ' VAL . 59.0 t -25.11 -50.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 118.67 2.841 . . . . 0.0 118.67 176.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.16 -35.75 60.59 Favored Glycine 0 CA--C 1.542 1.738 0 O-C-N 119.085 -2.26 . . . . 0.0 112.666 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -79.24 -40.22 31.16 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-N 122.281 3.04 . . . . 0.0 111.332 -177.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.42 HG23 HD13 ' A' ' 49' ' ' LEU . 45.7 mt -50.4 -49.05 24.95 Favored 'Isoleucine or valine' 0 C--N 1.373 1.614 0 O-C-N 118.7 -2.5 . . . . 0.0 109.042 165.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.4 m -65.29 -10.61 33.87 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 119.608 -1.932 . . . . 0.0 115.201 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -91.28 -64.53 1.11 Allowed 'General case' 0 C--N 1.377 1.763 0 N-CA-C 104.371 -2.455 . . . . 0.0 104.371 168.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . 0.266 63.3 tt0 -63.79 -42.69 97.69 Favored 'General case' 0 CA--C 1.615 3.466 0 C-N-CA 130.777 3.631 . . . . 0.0 111.416 -161.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.42 HD13 HG23 ' A' ' 45' ' ' ILE . 5.5 mp -94.24 5.66 51.07 Favored 'General case' 0 N--CA 1.503 2.203 0 C-N-CA 125.334 1.453 . . . . 0.0 113.315 172.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.9 m120 54.57 53.75 10.25 Favored 'General case' 0 C--O 1.298 3.625 0 N-CA-C 115.953 1.834 . . . . 0.0 115.953 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.2 mt -107.41 -139.2 0.37 Allowed 'General case' 0 C--O 1.269 2.099 0 CA-C-O 121.833 0.825 . . . . 0.0 112.814 -174.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 61.4 p -150.01 138.7 20.8 Favored 'General case' 0 N--CA 1.421 -1.904 0 O-C-N 118.208 -2.808 . . . . 0.0 109.462 170.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -66.48 -30.08 70.33 Favored 'General case' 0 C--N 1.399 2.747 0 O-C-N 119.096 -2.253 . . . . 0.0 112.117 -172.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.5 m -53.6 -33.79 56.15 Favored 'General case' 0 C--N 1.364 1.216 0 O-C-N 125.863 1.977 . . . . 0.0 115.324 165.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -83.35 -31.73 26.63 Favored 'General case' 0 C--O 1.284 2.891 0 CA-C-N 121.128 1.786 . . . . 0.0 109.438 175.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.559 ' C ' ' H ' ' A' ' 58' ' ' HIS . 23.5 t -92.82 -34.85 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 CA-C-N 121.126 1.784 . . . . 0.0 113.11 -167.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.1 m -54.89 12.27 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 156.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.559 ' H ' ' C ' ' A' ' 56' ' ' VAL . 14.7 t60 -139.07 -38.52 0.5 Allowed 'General case' 0 C--O 1.191 -2.012 0 CA-C-O 117.026 -1.464 . . . . 0.0 110.811 -176.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -88.27 -44.99 10.43 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 125.765 1.626 . . . . 0.0 111.067 177.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.413 HD21 ' CG ' ' A' ' 80' ' ' TYR . 12.3 tp -53.69 -39.65 65.32 Favored 'General case' 0 CA--C 1.587 2.393 0 O-C-N 119.23 -2.169 . . . . 0.0 116.032 167.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -70.59 -34.23 71.95 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 123.479 1.609 . . . . 0.0 112.335 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.538 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -64.94 -52.01 58.71 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 119.73 -1.856 . . . . 0.0 108.531 175.119 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.538 ' N ' HD13 ' A' ' 62' ' ' LEU 0.318 15.7 mt -69.23 -30.82 69.05 Favored 'General case' 0 C--O 1.275 2.406 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 -169.262 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -59.59 -54.12 50.17 Favored 'General case' 0 C--N 1.268 -2.948 0 C-N-CA 128.182 2.593 . . . . 0.0 109.806 173.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.5 m -77.97 1.64 20.11 Favored 'General case' 0 C--O 1.276 2.493 0 O-C-N 116.98 -3.575 . . . . 0.0 113.635 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.323 6.0 m -120.06 19.43 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 CA-C-O 125.794 2.712 . . . . 0.0 113.066 168.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.257 10.9 p80 48.69 39.3 13.34 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 121.351 3.834 . . . . 0.0 121.351 173.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.4 mp -97.75 -23.5 15.89 Favored 'General case' 0 C--O 1.252 1.215 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 163.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.3 t -117.36 151.8 19.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 N-CA-C 104.087 -2.56 . . . . 0.0 104.087 -174.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.84 144.08 37.11 Favored 'General case' 0 C--O 1.274 2.364 0 C-N-CA 125.74 1.616 . . . . 0.0 109.304 172.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.609 ' HB2' ' CE2' ' A' ' 80' ' ' TYR . . . -122.86 147.23 46.8 Favored 'General case' 0 C--O 1.271 2.192 1 CA-C-O 128.822 4.153 . . . . 0.0 109.148 -173.481 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -136.57 137.05 39.81 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 117.315 -3.366 . . . . 0.0 107.0 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 70.5 ttt-85 -85.76 140.08 30.78 Favored 'General case' 0 CA--C 1.559 1.324 0 O-C-N 120.407 -1.433 . . . . 0.0 108.144 -174.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -133.15 74.24 1.56 Allowed 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 128.833 2.853 . . . . 0.0 107.322 167.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.13 -131.72 39.23 Favored Glycine 1 CA--C 1.584 4.392 0 CA-C-O 123.466 1.592 . . . . 0.0 112.379 -175.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -62.08 -13.55 27.65 Favored 'General case' 0 CA--C 1.595 2.687 0 O-C-N 117.104 -3.586 . . . . 0.0 113.984 -172.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 55.0 m -117.38 158.57 24.2 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 125.934 1.693 . . . . 0.0 114.94 177.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 17.9 mmt -116.42 131.43 56.95 Favored 'General case' 0 CA--C 1.474 -1.976 0 C-N-CA 131.455 3.902 . . . . 0.0 107.482 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.8 mm -115.95 139.06 44.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 C-N-CA 130.016 3.326 . . . . 0.0 108.534 -175.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.609 ' CE2' ' HB2' ' A' ' 71' ' ' ALA . 29.8 m-85 -132.79 150.3 52.17 Favored 'General case' 0 CA--C 1.57 1.721 0 CA-C-O 125.319 2.485 . . . . 0.0 109.859 -159.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.423 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 5.1 m -148.3 176.55 10.16 Favored 'General case' 0 N--CA 1.502 2.132 0 CA-C-N 111.754 -2.475 . . . . 0.0 107.385 -169.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -68.29 155.87 38.87 Favored 'General case' 0 CA--C 1.571 1.753 0 O-C-N 117.493 -3.254 . . . . 0.0 107.333 160.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -63.65 -48.59 76.59 Favored 'General case' 0 C--O 1.268 2.038 0 CA-C-N 113.91 -1.495 . . . . 0.0 110.902 -174.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -158.06 179.14 9.45 Favored 'General case' 0 C--O 1.274 2.375 0 CA-C-O 126.17 2.89 . . . . 0.0 105.847 169.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . 0.281 6.9 tp -55.79 -32.17 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 1 C-N-CA 133.164 4.585 . . . . 0.0 112.162 179.692 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -58.44 -52.49 65.43 Favored 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 130.249 3.419 . . . . 0.0 112.232 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.4 p -76.68 -49.17 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 CA-C-N 113.684 -1.598 . . . . 0.0 112.062 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.04 -44.6 31.26 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 116.964 -3.585 . . . . 0.0 109.252 171.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.8 m -64.16 -41.34 97.19 Favored 'General case' 0 N--CA 1.534 3.743 0 O-C-N 116.812 -3.68 . . . . 0.0 114.591 174.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . 0.354 0.2 OUTLIER -53.75 -41.2 66.86 Favored 'General case' 0 CA--C 1.594 2.648 0 C-N-CA 124.463 1.105 . . . . 0.0 113.903 172.351 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.434 ' CD1' ' HB2' ' A' ' 32' ' ' MET 0.32 4.3 tt -82.3 -53.14 6.27 Favored 'General case' 0 N--CA 1.513 2.714 0 CA-C-O 114.94 -2.457 . . . . 0.0 109.808 176.61 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.8 tttp -45.06 -55.72 5.35 Favored 'General case' 0 CA--C 1.573 1.835 0 CA-C-N 123.182 2.719 . . . . 0.0 116.548 173.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -67.91 -13.44 62.16 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 117.783 2.512 . . . . 0.0 117.783 175.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.14 -57.77 4.19 Favored 'General case' 0 CA--C 1.485 -1.548 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 159.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.484 HD12 HG11 ' B' ' 16' ' ' VAL . 1.0 OUTLIER -50.29 -2.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.291 3.246 0 CA-C-O 125.536 2.589 . . . . 0.0 117.524 170.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -117.35 -1.35 11.78 Favored 'General case' 0 N--CA 1.422 -1.834 0 O-C-N 118.503 -2.623 . . . . 0.0 115.768 172.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -110.97 -2.07 16.12 Favored 'General case' 0 N--CA 1.523 3.212 0 C-N-CA 117.722 -1.591 . . . . 0.0 111.677 169.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.548 ' HB1' ' CB ' ' B' ' 15' ' ' ARG . . . -66.95 -46.21 75.42 Favored 'General case' 0 N--CA 1.521 3.105 0 O-C-N 116.316 -3.99 . . . . 0.0 112.08 174.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -123.2 160.39 26.66 Favored 'General case' 0 C--N 1.271 -2.819 0 O-C-N 126.222 2.201 . . . . 0.0 112.751 171.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -142.94 61.3 10.4 Favored Pre-proline 0 N--CA 1.491 1.602 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -78.16 172.59 15.2 Favored 'Trans proline' 0 N--CA 1.53 3.671 0 C-N-CA 121.641 1.561 . . . . 0.0 112.492 173.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -75.15 154.48 37.7 Favored 'General case' 0 C--O 1.197 -1.66 1 O-C-N 116.086 -4.133 . . . . 0.0 110.589 177.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 C--O 1.273 2.3 0 CA-C-N 111.53 -2.577 . . . . 0.0 116.516 173.865 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 . . . . . 0 N--CA 1.501 2.114 0 CA-C-O 117.748 -1.12 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 14.3 p -126.41 4.84 6.93 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-N 122.697 2.499 . . . . 0.0 112.753 175.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 59.33 -37.87 0.07 Allowed 'General case' 0 C--O 1.257 1.452 0 C-N-CA 130.403 3.481 . . . . 0.0 112.662 175.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 78.2 p -114.58 -63.44 1.46 Allowed 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 117.28 2.326 . . . . 0.0 117.28 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -43.45 -52.69 5.9 Favored 'General case' 0 CA--C 1.48 -1.745 0 N-CA-C 121.651 3.945 . . . . 0.0 121.651 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -62.12 -12.02 17.31 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 126.873 3.225 . . . . 0.0 112.163 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.548 ' CB ' ' HB1' ' A' ' 98' ' ' ALA . 4.1 mmp_? -116.06 0.51 13.02 Favored 'General case' 0 N--CA 1.439 -1.016 0 O-C-N 117.81 -3.056 . . . . 0.0 113.81 -175.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.497 HG12 HD12 ' B' ' 19' ' ' ILE . 4.1 m -114.93 -7.43 12.15 Favored 'Isoleucine or valine' 0 C--N 1.398 2.694 0 CA-C-O 111.863 -3.923 . . . . 0.0 114.383 158.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 9.8 p -61.33 -39.62 91.2 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 122.029 2.195 . . . . 0.0 105.517 167.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -58.8 -30.89 67.95 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 117.22 -3.425 . . . . 0.0 112.363 172.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.497 HD12 HG12 ' B' ' 16' ' ' VAL . 5.7 mt -81.24 -58.58 3.6 Favored 'Isoleucine or valine' 0 C--N 1.396 2.617 1 O-C-N 115.928 -4.232 . . . . 0.0 109.264 178.107 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.422 ' HA ' ' HG ' ' B' ' 23' ' ' LEU . 5.2 m-30 -66.58 -30.89 71.29 Favored 'General case' 0 N--CA 1.427 -1.592 0 O-C-N 118.919 -2.363 . . . . 0.0 114.147 -166.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 pttm -65.59 -46.63 78.65 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 121.086 0.47 . . . . 0.0 110.174 173.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.87 3.85 13.39 Favored 'General case' 0 C--O 1.21 -1.026 0 C-N-CA 128.03 2.532 . . . . 0.0 110.416 -178.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.422 ' HG ' ' HA ' ' B' ' 20' ' ' PHE . 31.8 mt -72.39 6.28 2.42 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-N 123.041 2.655 . . . . 0.0 109.207 159.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.07 23.1 0.57 Allowed Glycine 1 CA--C 1.578 4.008 0 N-CA-C 120.134 2.814 . . . . 0.0 120.134 -168.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -151.55 121.6 7.15 Favored 'General case' 0 CA--C 1.587 2.391 0 CA-C-N 120.927 2.364 . . . . 0.0 107.212 -173.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -55.42 -38.2 68.65 Favored 'General case' 0 CA--C 1.571 1.751 0 C-N-CA 117.673 -1.611 . . . . 0.0 113.725 172.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -63.45 -43.89 96.09 Favored 'General case' 0 C--O 1.24 0.566 1 O-C-N 116.251 -4.031 . . . . 0.0 110.565 -174.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.495 ' HB3' HD21 ' B' ' 63' ' ' LEU . 54.3 mtt180 -46.61 -48.35 19.77 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 120.223 1.374 . . . . 0.0 111.056 174.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 40.7 mm -68.88 -39.56 80.08 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 C-N-CA 130.2 3.4 . . . . 0.0 111.892 -173.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -69.35 -31.28 69.62 Favored 'General case' 0 CA--C 1.504 -0.796 0 C-N-CA 130.936 3.695 . . . . 0.0 112.508 -175.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.545 ' HA ' HD21 ' B' ' 49' ' ' LEU . 4.5 mt -60.41 -43.74 94.65 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.863 0 CA-C-N 111.859 -2.428 . . . . 0.0 111.219 170.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 75.4 mtm -89.62 -49.26 6.77 Favored 'General case' 0 C--O 1.252 1.191 0 O-C-N 119.314 -2.116 . . . . 0.0 115.152 -163.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -10.93 -63.28 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.934 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 135.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.537 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.0 tm? -71.37 -50.92 27.36 Favored 'General case' 0 C--O 1.206 -1.2 0 N-CA-C 118.364 2.727 . . . . 0.0 118.364 -176.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.31 -32.63 57.02 Favored 'General case' 0 C--O 1.197 -1.659 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 5.0 p -67.98 -2.18 7.11 Favored 'General case' 0 CA--C 1.574 1.899 0 C-N-CA 129.032 2.933 . . . . 0.0 110.729 -172.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . 0.309 3.2 m -128.61 -37.3 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.586 2.36 0 C-N-CA 127.523 2.329 . . . . 0.0 111.954 174.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -156.79 127.59 6.73 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 117.926 -2.984 . . . . 0.0 104.692 162.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -73.45 127.41 32.63 Favored 'General case' 0 CA--C 1.58 2.108 0 N-CA-C 106.873 -1.528 . . . . 0.0 106.873 -165.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.3 143.62 48.25 Favored 'General case' 0 CA--C 1.584 2.254 0 O-C-N 117.57 -3.206 . . . . 0.0 112.07 -178.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 23.0 t -80.36 151.43 29.43 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 127.705 2.402 . . . . 0.0 113.851 162.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.423 HG23 HD23 ' B' ' 60' ' ' LEU . 95.4 t -12.68 -66.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.426 0 C-N-CA 125.968 1.707 . . . . 0.0 112.582 155.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.28 -35.26 90.65 Favored Glycine 0 CA--C 1.558 2.73 0 CA-C-O 118.745 -1.03 . . . . 0.0 113.605 -169.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -81.11 -43.6 19.19 Favored 'General case' 0 C--N 1.365 1.278 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 174.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 33.7 mt -49.37 -44.52 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 O-C-N 128.713 3.758 . . . . 0.0 109.509 173.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 73.3 m -45.31 -51.65 10.74 Favored 'General case' 0 C--N 1.342 0.245 0 O-C-N 127.962 3.289 . . . . 0.0 108.559 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -69.57 -55.07 11.16 Favored 'General case' 0 C--N 1.377 1.783 0 N-CA-C 115.332 1.604 . . . . 0.0 115.332 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -70.37 -6.01 32.35 Favored 'General case' 0 N--CA 1.525 3.319 0 CA-C-O 115.351 -2.262 . . . . 0.0 113.984 -175.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.545 HD21 ' HA ' ' B' ' 31' ' ' ILE . 5.7 mp -130.8 1.23 4.37 Favored 'General case' 0 CA--C 1.605 3.077 0 O-C-N 125.671 1.857 . . . . 0.0 108.532 -175.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 m120 59.94 51.65 5.8 Favored 'General case' 0 N--CA 1.525 3.307 0 C-N-CA 130.352 3.461 . . . . 0.0 114.479 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 73.0 mt -129.84 153.26 48.45 Favored 'General case' 0 C--O 1.278 2.598 0 N-CA-C 105.127 -2.175 . . . . 0.0 105.127 -168.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 22.9 t -74.76 142.38 44.31 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 123.228 1.489 . . . . 0.0 113.103 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -61.88 -38.56 88.76 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 117.562 -3.211 . . . . 0.0 109.614 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 46.6 m -62.17 -25.67 67.9 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 174.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -79.31 -35.92 40.43 Favored 'General case' 0 C--O 1.191 -1.987 0 C-N-CA 129.906 3.282 . . . . 0.0 110.476 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.415 ' C ' ' H ' ' B' ' 58' ' ' HIS . 17.3 t -83.52 -29.43 7.75 Favored 'Isoleucine or valine' 0 C--N 1.35 0.618 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 177.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 20.3 m -61.99 8.55 0.04 OUTLIER 'General case' 0 N--CA 1.527 3.425 0 C-N-CA 126.285 1.834 . . . . 0.0 112.923 159.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . 0.415 ' H ' ' C ' ' B' ' 56' ' ' VAL . 72.4 t60 -135.74 -33.99 0.84 Allowed 'General case' 0 N--CA 1.416 -2.134 0 C-N-CA 124.702 1.201 . . . . 0.0 110.588 174.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -77.76 -41.21 38.33 Favored 'General case' 0 N--CA 1.439 -0.981 0 O-C-N 117.031 -3.543 . . . . 0.0 106.173 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.423 HD23 HG23 ' B' ' 42' ' ' VAL . 6.2 tp -67.32 -42.02 84.32 Favored 'General case' 0 C--O 1.205 -1.275 1 O-C-N 114.236 -5.29 . . . . 0.0 106.341 179.566 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -70.62 -31.18 68.05 Favored 'General case' 0 CA--C 1.557 1.246 1 O-C-N 115.713 -4.367 . . . . 0.0 110.157 177.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.585 HD13 ' N ' ' B' ' 63' ' ' LEU . 0.1 OUTLIER -67.1 -47.01 72.49 Favored 'General case' 0 C--O 1.248 1.011 0 C-N-CA 119.487 -0.885 . . . . 0.0 112.107 172.413 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.585 ' N ' HD13 ' B' ' 62' ' ' LEU . 72.0 mt -61.67 -39.12 90.3 Favored 'General case' 0 C--O 1.185 -2.301 0 N-CA-C 118.854 2.909 . . . . 0.0 118.854 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -53.15 -38.84 63.07 Favored 'General case' 0 N--CA 1.537 3.903 1 CA-C-N 107.375 -4.466 . . . . 0.0 112.839 167.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.7 m -83.28 -8.61 59.42 Favored 'General case' 1 N--CA 1.546 4.337 0 CA-C-N 113.598 -1.637 . . . . 0.0 108.515 -178.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.444 HG23 ' CD1' ' B' ' 68' ' ' LEU 0.306 15.9 m -115.55 14.64 7.91 Favored 'Isoleucine or valine' 0 C--N 1.383 2.044 0 C-N-CA 128.573 2.749 . . . . 0.0 114.286 174.701 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 4.6 m80 66.92 18.71 10.64 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 113.877 -1.51 . . . . 0.0 112.698 162.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.444 ' CD1' HG23 ' B' ' 66' ' ' VAL . 2.9 mp -88.82 -13.57 39.03 Favored 'General case' 0 N--CA 1.517 2.889 0 CA-C-N 119.554 1.07 . . . . 0.0 113.366 169.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.3 t -128.9 143.23 41.85 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.09 0 C-N-CA 128.105 2.562 . . . . 0.0 115.8 -162.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -137.2 147.6 45.95 Favored 'General case' 0 C--O 1.274 2.384 0 CA-C-O 128.166 3.841 . . . . 0.0 113.727 165.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -99.56 152.38 20.1 Favored 'General case' 0 CA--C 1.576 1.953 0 O-C-N 118.386 -2.696 . . . . 0.0 117.237 173.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -162.68 140.98 8.54 Favored 'General case' 0 N--CA 1.53 3.53 0 CA-C-O 124.116 1.913 . . . . 0.0 114.263 172.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -64.16 138.59 58.52 Favored 'General case' 0 C--N 1.289 -2.059 0 O-C-N 116.716 -3.74 . . . . 0.0 113.492 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -154.73 119.5 4.87 Favored 'General case' 0 CA--C 1.6 2.871 0 O-C-N 119.55 -1.969 . . . . 0.0 109.025 167.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.18 -118.59 11.6 Favored Glycine 0 CA--C 1.545 1.957 0 O-C-N 121.541 -0.724 . . . . 0.0 111.87 -172.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -101.45 8.4 42.11 Favored 'General case' 0 N--CA 1.423 -1.823 0 N-CA-C 117.463 2.394 . . . . 0.0 117.463 -172.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 56.5 p -141.01 171.46 14.03 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 114.932 -1.031 . . . . 0.0 112.533 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 36.4 ttm -111.77 100.49 8.98 Favored 'General case' 0 N--CA 1.418 -2.048 0 N-CA-C 101.934 -3.358 . . . . 0.0 101.934 175.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 39.9 mm -55.15 154.62 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.893 0 C-N-CA 127.75 2.42 . . . . 0.0 113.869 166.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -134.61 156.29 48.97 Favored 'General case' 0 CA--C 1.468 -2.197 0 CA-C-O 117.556 -1.211 . . . . 0.0 110.495 173.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . 0.321 15.8 m -150.2 159.53 44.36 Favored 'General case' 0 C--O 1.178 -2.674 0 C-N-CA 130.736 3.614 . . . . 0.0 107.54 -166.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.452 HD13 ' HB2' ' B' ' 88' ' ' ALA . 2.7 mt -58.79 131.2 50.22 Favored 'General case' 0 C--O 1.213 -0.839 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 160.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -55.22 -48.62 73.63 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 127.572 2.349 . . . . 0.0 110.027 -168.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -154.49 174.58 14.72 Favored 'General case' 0 N--CA 1.422 -1.843 0 O-C-N 119.766 -1.834 . . . . 0.0 112.607 141.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 2.0 pp -65.41 -8.68 6.29 Favored 'Isoleucine or valine' 0 C--O 1.261 1.705 0 C-N-CA 130.566 3.546 . . . . 0.0 115.014 -169.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -51.49 -62.48 1.6 Allowed 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 119.091 -2.256 . . . . 0.0 111.275 164.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 m -82.71 -20.92 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.808 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 -175.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.452 ' HB2' HD13 ' B' ' 82' ' ' LEU . . . -54.19 -37.66 64.76 Favored 'General case' 0 C--O 1.184 -2.353 0 C-N-CA 116.981 -1.888 . . . . 0.0 112.079 163.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 73.6 m -64.55 -58.2 7.02 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 130.134 3.374 . . . . 0.0 108.077 178.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 11.8 tmm? -40.62 -53.48 2.74 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.931 -1.73 . . . . 0.0 115.25 170.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 4.7 tt -60.38 -46.5 89.72 Favored 'General case' 0 N--CA 1.415 -2.221 0 O-C-N 125.336 1.648 . . . . 0.0 112.883 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -62.72 -35.89 81.2 Favored 'General case' 0 N--CA 1.425 -1.694 0 CA-C-O 123.026 1.393 . . . . 0.0 113.573 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -85.47 -11.28 54.68 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 119.04 -2.288 . . . . 0.0 115.717 176.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.49 -37.62 56.51 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 125.179 1.549 . . . . 0.0 110.487 177.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 1.7 mp -63.26 -45.12 99.14 Favored 'Isoleucine or valine' 0 C--N 1.375 1.694 0 O-C-N 124.845 1.341 . . . . 0.0 111.264 166.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -45.67 89.24 Favored 'General case' 0 C--N 1.377 1.785 0 CA-C-O 122.399 1.095 . . . . 0.0 109.398 -174.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . 0.28 8.2 t60 -55.14 -28.31 51.84 Favored 'General case' 0 N--CA 1.511 2.619 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 167.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.23 -0.88 57.8 Favored 'General case' 0 C--O 1.273 2.301 1 O-C-N 115.397 -4.564 . . . . 0.0 115.033 174.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -147.37 60.9 1.16 Allowed 'General case' 1 CA--C 1.63 4.055 0 CA-C-N 112.764 -2.016 . . . . 0.0 111.716 -168.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -74.5 121.63 85.68 Favored Pre-proline 0 N--CA 1.496 1.857 0 CA-C-N 113.341 -1.754 . . . . 0.0 113.337 168.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -68.89 -24.89 33.33 Favored 'Trans proline' 0 C--N 1.374 1.877 0 CA-C-O 115.669 -1.888 . . . . 0.0 113.318 -171.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . 0.259 18.7 ptpt -153.65 122.99 6.59 Favored 'General case' 0 C--O 1.255 1.35 0 CA-C-N 122.445 2.384 . . . . 0.0 104.924 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 . . . . . 0 N--CA 1.526 3.339 0 CA-C-O 114.371 -2.728 . . . . 0.0 112.605 -179.842 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.7 m120 . . . . . 0 CA--C 1.491 -1.308 0 CA-C-O 113.602 -3.094 . . . . 0.0 107.118 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.0 p -114.91 -52.03 2.71 Favored 'General case' 0 CA--C 1.564 1.494 0 CA-C-N 123.343 2.792 . . . . 0.0 114.775 -175.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.359 20.1 m-20 72.57 -47.92 0.68 Allowed 'General case' 0 C--O 1.248 1.01 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 176.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.5 p -149.96 -7.01 0.32 Allowed 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 128.009 2.524 . . . . 0.0 113.275 173.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.674 ' O ' HG23 ' A' ' 17' ' ' THR . 1.5 mm? -66.31 -31.24 71.91 Favored 'General case' 0 CA--C 1.582 2.186 0 N-CA-C 117.325 2.343 . . . . 0.0 117.325 -161.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.25 1.8 mt-10 -73.55 -31.75 63.81 Favored 'General case' 0 N--CA 1.476 0.836 1 CA-C-O 111.488 -4.101 . . . . 0.0 112.756 169.144 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.444 ' HG2' ' HB1' ' B' ' 98' ' ' ALA . 35.4 ttm180 -78.4 -10.18 59.59 Favored 'General case' 1 N--CA 1.547 4.411 0 N-CA-C 118.579 2.807 . . . . 0.0 118.579 165.377 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.533 HG12 ' CZ ' ' A' ' 20' ' ' PHE . 11.1 t -84.35 -45.34 18.0 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.58 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 167.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 13' ' ' LEU 0.258 25.8 p -49.86 -32.53 14.58 Favored 'General case' 0 C--N 1.411 3.26 0 CA-C-N 120.99 1.723 . . . . 0.0 111.883 170.091 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -70.1 -17.84 63.23 Favored 'General case' 0 C--O 1.2 -1.507 0 CA-C-O 114.139 -2.838 . . . . 0.0 115.693 174.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.328 2.2 pp -101.67 3.78 10.6 Favored 'Isoleucine or valine' 0 C--O 1.267 2.023 0 CA-C-N 121.566 1.985 . . . . 0.0 112.806 166.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.533 ' CZ ' HG12 ' A' ' 16' ' ' VAL . 6.0 m-85 -94.62 -32.03 13.59 Favored 'General case' 0 N--CA 1.505 2.296 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 162.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -59.35 63.07 0.0 OUTLIER 'General case' 0 CA--C 1.567 1.626 0 C-N-CA 128.839 2.855 . . . . 0.0 107.165 146.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -176.88 -13.92 0.01 OUTLIER 'General case' 0 N--CA 1.537 3.894 1 C-N-CA 132.612 4.365 . . . . 0.0 113.213 174.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.4 mt -106.98 -122.91 0.24 Allowed 'General case' 0 CA--C 1.58 2.114 0 O-C-N 118.163 -2.835 . . . . 0.0 107.262 -165.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.55 -22.26 0.18 Allowed Glycine 0 CA--C 1.541 1.695 0 C-N-CA 129.693 3.52 . . . . 0.0 119.043 168.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -107.91 177.42 4.82 Favored 'General case' 0 CA--C 1.571 1.782 0 CA-C-O 124.548 2.118 . . . . 0.0 108.718 -167.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -93.76 -92.34 0.18 Allowed 'General case' 0 N--CA 1.515 2.782 0 C-N-CA 127.308 2.243 . . . . 0.0 108.71 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -50.06 -45.78 52.64 Favored 'General case' 0 C--N 1.393 2.49 0 O-C-N 117.671 -3.143 . . . . 0.0 112.859 -170.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -29.15 -49.53 0.08 Allowed 'General case' 0 N--CA 1.535 3.789 0 N-CA-C 118.315 2.709 . . . . 0.0 118.315 172.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.321 6.5 pt -97.99 -10.62 8.78 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.041 0 C-N-CA 128.068 2.547 . . . . 0.0 115.615 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.1 ttp85 -69.52 -22.28 63.6 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 129.598 3.159 . . . . 0.0 110.935 165.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . 0.252 17.0 mt -72.1 -52.12 26.51 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-N 113.89 -1.505 . . . . 0.0 109.503 169.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . 0.295 42.2 mtm -79.91 -36.61 36.15 Favored 'General case' 0 CA--C 1.611 3.292 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 -167.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -23.6 -44.75 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.746 0 N-CA-C 118.254 2.687 . . . . 0.0 118.254 139.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.484 HD13 ' C ' ' A' ' 34' ' ' LEU 0.315 0.4 OUTLIER -95.45 -33.56 12.42 Favored 'General case' 0 C--O 1.277 2.524 0 CA-C-N 122.416 2.371 . . . . 0.0 111.648 -173.371 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.04 -8.08 14.67 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 119.295 -2.128 . . . . 0.0 115.188 174.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 63.5 m -86.81 -1.1 57.51 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-N 109.258 -3.61 . . . . 0.0 113.479 175.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 35.3 m -138.52 -44.51 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.584 2.275 0 C-N-CA 129.422 3.089 . . . . 0.0 118.914 167.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -142.74 112.5 6.9 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -73.84 125.76 28.89 Favored 'General case' 0 C--O 1.246 0.906 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 -169.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.76 152.54 49.14 Favored 'General case' 0 CA--C 1.597 2.754 0 CA-C-N 121.703 2.047 . . . . 0.0 111.075 -175.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.3 t -88.27 159.94 17.89 Favored 'General case' 0 C--O 1.183 -2.422 0 CA-C-N 111.659 -2.519 . . . . 0.0 116.218 163.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.1 t -10.42 -55.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.474 -1.965 0 CA-C-O 112.8 -3.476 . . . . 0.0 119.427 162.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.96 -42.99 50.78 Favored Glycine 0 CA--C 1.555 2.569 0 CA-C-N 124.787 3.449 . . . . 0.0 117.819 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -79.87 -36.11 37.14 Favored 'General case' 0 N--CA 1.435 -1.215 0 O-C-N 116.9 -3.706 . . . . 0.0 109.733 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.8 mt -48.79 -68.64 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.602 2.945 0 C-N-CA 115.89 -2.324 . . . . 0.0 109.816 170.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.9 m -49.28 -28.31 4.63 Favored 'General case' 0 CA--C 1.475 -1.918 0 CA-C-O 115.104 -2.379 . . . . 0.0 112.331 -175.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -82.4 -58.48 2.91 Favored 'General case' 0 CA--C 1.577 1.993 0 CA-C-N 122.702 2.501 . . . . 0.0 112.094 167.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -57.18 -42.97 82.17 Favored 'General case' 0 N--CA 1.52 3.032 0 N-CA-C 117.166 2.284 . . . . 0.0 117.166 -176.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 49' ' ' LEU . 6.7 mp -82.77 -20.1 36.52 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 118.903 -2.373 . . . . 0.0 114.456 169.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.9 m120 68.37 53.65 0.58 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 126.731 2.519 . . . . 0.0 115.336 -173.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.1 mt -98.83 -123.99 0.15 Allowed 'General case' 0 C--O 1.266 1.951 0 O-C-N 120.899 -1.126 . . . . 0.0 113.164 173.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.72 139.42 5.36 Favored 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 129.714 3.206 . . . . 0.0 106.75 -174.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -66.54 -38.13 86.46 Favored 'General case' 0 CA--C 1.577 2.017 0 CA-C-O 115.02 -2.419 . . . . 0.0 111.034 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.6 m -58.7 -37.22 75.62 Favored 'General case' 0 C--O 1.2 -1.509 0 CA-C-N 123.131 2.696 . . . . 0.0 113.423 169.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -83.24 -24.24 32.42 Favored 'General case' 0 C--N 1.288 -2.084 0 CA-C-N 120.507 1.503 . . . . 0.0 112.02 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.2 t -94.33 -22.28 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.29 1 O-C-N 113.393 -5.817 . . . . 0.0 109.695 176.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . 0.253 15.7 m -58.72 -0.83 0.12 Allowed 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 118.224 2.675 . . . . 0.0 118.224 152.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 61.3 t-80 -123.65 -51.65 1.82 Allowed 'General case' 0 N--CA 1.502 2.17 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -77.67 -34.56 52.97 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 118.303 -2.748 . . . . 0.0 113.966 -162.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.472 HD21 ' CD1' ' A' ' 80' ' ' TYR 0.29 12.3 tp -61.03 -45.04 96.42 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 117.23 -1.366 . . . . 0.0 109.508 167.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -63.3 -35.99 82.18 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 124.33 1.019 . . . . 0.0 112.217 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -60.56 -59.57 5.19 Favored 'General case' 0 CA--C 1.618 3.596 0 CA-C-N 113.337 -1.756 . . . . 0.0 110.415 174.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 37.7 mt -65.81 -29.03 69.45 Favored 'General case' 0 CA--C 1.489 -1.373 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.804 -167.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -41.38 88.75 Favored 'General case' 0 C--N 1.311 -1.101 0 C-N-CA 127.17 2.188 . . . . 0.0 112.676 175.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.2 m -70.86 -13.12 61.92 Favored 'General case' 0 CA--C 1.581 2.168 0 O-C-N 127.652 3.095 . . . . 0.0 114.116 166.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.419 27.5 m -114.8 19.38 7.2 Favored 'Isoleucine or valine' 0 C--O 1.253 1.271 0 O-C-N 124.218 0.949 . . . . 0.0 113.508 171.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.2 p80 48.67 24.8 0.85 Allowed 'General case' 0 C--N 1.372 1.581 0 C-N-CA 129.979 3.312 . . . . 0.0 114.436 172.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.2 mp -84.83 -23.3 29.12 Favored 'General case' 0 N--CA 1.533 3.711 0 C-N-CA 116.188 -2.205 . . . . 0.0 111.205 160.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.5 t -112.53 155.22 13.84 Favored 'Isoleucine or valine' 0 C--O 1.28 2.671 0 C-N-CA 125.969 1.708 . . . . 0.0 110.007 -179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -138.01 128.17 25.92 Favored 'General case' 0 N--CA 1.415 -2.21 0 C-N-CA 125.509 1.523 . . . . 0.0 107.243 176.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.508 ' HB2' ' CE2' ' A' ' 80' ' ' TYR . . . -77.49 147.62 35.77 Favored 'General case' 0 N--CA 1.521 3.077 0 O-C-N 119.902 -1.749 . . . . 0.0 115.085 163.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -126.28 135.02 51.03 Favored 'General case' 0 N--CA 1.517 2.89 0 C-N-CA 125.569 1.548 . . . . 0.0 111.929 153.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -85.38 136.94 33.25 Favored 'General case' 0 CA--C 1.566 1.594 0 O-C-N 119.845 -1.785 . . . . 0.0 113.552 -178.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -133.0 71.59 1.47 Allowed 'General case' 0 C--O 1.276 2.498 0 N-CA-C 103.854 -2.647 . . . . 0.0 103.854 170.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.87 -97.16 0.41 Allowed Glycine 0 CA--C 1.565 3.183 0 CA-C-N 112.246 -2.252 . . . . 0.0 110.171 175.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -98.83 20.34 13.3 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-N 120.492 2.146 . . . . 0.0 115.933 -169.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.41 136.15 7.27 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 130.035 3.334 . . . . 0.0 109.945 -177.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 73.0 mtm -93.7 134.37 36.09 Favored 'General case' 0 CA--C 1.593 2.616 0 N-CA-C 104.474 -2.417 . . . . 0.0 104.474 168.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.7 mm -90.87 148.94 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.152 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 161.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.508 ' CE2' ' HB2' ' A' ' 71' ' ' ALA . 70.4 m-85 -137.0 144.15 43.15 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 114.963 -2.446 . . . . 0.0 112.995 -165.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.1 m -140.86 172.43 12.7 Favored 'General case' 0 C--O 1.201 -1.486 0 C-N-CA 131.589 3.956 . . . . 0.0 109.167 -154.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.69 164.35 12.23 Favored 'General case' 0 C--O 1.2 -1.519 0 C-N-CA 119.343 -0.943 . . . . 0.0 110.648 157.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -76.29 -41.85 47.34 Favored 'General case' 0 C--N 1.317 -0.841 0 O-C-N 120.024 -1.672 . . . . 0.0 113.718 174.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.7 p30 -155.77 -173.39 4.51 Favored 'General case' 0 C--O 1.203 -1.366 0 CA-C-O 125.105 2.383 . . . . 0.0 110.037 158.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.0 tp -55.61 -27.98 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.052 0 CA-C-O 114.117 -2.849 . . . . 0.0 116.769 176.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.494 ' CD2' ' CD2' ' B' ' 96' ' ' HIS . 13.1 m80 -59.64 -57.75 11.57 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 126.939 2.649 . . . . 0.0 115.01 169.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -73.56 -34.35 41.85 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.442 0 O-C-N 119.082 -2.261 . . . . 0.0 110.244 -175.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.92 -32.61 66.12 Favored 'General case' 0 CA--C 1.615 3.461 0 CA-C-O 117.449 -1.263 . . . . 0.0 109.935 169.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 86.1 m -83.1 -36.28 24.96 Favored 'General case' 0 C--O 1.173 -2.922 0 CA-C-O 116.127 -1.892 . . . . 0.0 111.887 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 49.0 ttp -50.54 -62.99 1.27 Allowed 'General case' 0 N--CA 1.479 1.023 0 O-C-N 126.638 2.461 . . . . 0.0 110.233 173.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.1 tt -59.21 -37.4 77.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.306 -1.496 . . . . 0.0 113.305 176.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -70.79 -31.2 67.89 Favored 'General case' 0 CA--C 1.488 -1.43 0 CA-C-O 114.323 -2.751 . . . . 0.0 111.337 -176.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -96.28 2.72 53.11 Favored 'General case' 0 C--N 1.291 -1.965 1 CA-C-N 126.601 4.273 . . . . 0.0 113.986 -178.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.502 ' C ' ' H ' ' A' ' 96' ' ' HIS . . . -81.67 -53.33 6.31 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-O 114.127 -2.844 . . . . 0.0 107.663 151.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -61.06 15.34 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 128.645 2.778 . . . . 0.0 115.494 168.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.502 ' H ' ' C ' ' A' ' 94' ' ' ALA . 0.8 OUTLIER -128.99 -13.31 4.58 Favored 'General case' 0 C--O 1.186 -2.278 0 C-N-CA 129.091 2.956 . . . . 0.0 115.286 -179.642 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.538 ' CE1' ' HE1' ' A' ' 100' ' ' HIS . 19.1 t60 -116.3 -7.32 11.78 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 125.478 1.511 . . . . 0.0 113.799 169.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.641 ' HB2' HG13 ' B' ' 16' ' ' VAL . . . -54.44 -31.99 56.62 Favored 'General case' 0 CA--C 1.566 1.589 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 164.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -145.1 151.39 38.42 Favored 'General case' 0 N--CA 1.412 -2.363 0 C-N-CA 125.489 1.516 . . . . 0.0 110.742 174.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.538 ' HE1' ' CE1' ' A' ' 97' ' ' HIS . 17.2 m170 -129.28 53.57 11.91 Favored Pre-proline 0 C--O 1.25 1.129 0 O-C-N 127.127 2.767 . . . . 0.0 111.48 -175.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -70.79 171.68 15.12 Favored 'Trans proline' 0 C--O 1.284 2.779 0 CA-C-O 127.178 2.907 . . . . 0.0 115.24 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -77.92 118.18 19.98 Favored 'General case' 0 C--N 1.375 1.706 0 CA-C-N 112.104 -2.316 . . . . 0.0 111.571 169.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 CA--C 1.572 1.802 0 O-C-N 118.935 -2.353 . . . . 0.0 115.012 -179.668 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 34.9 m120 . . . . . 0 N--CA 1.409 -2.494 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 36.7 p -141.68 6.88 1.86 Allowed 'General case' 0 C--O 1.249 1.038 0 C-N-CA 126.192 1.797 . . . . 0.0 113.04 -166.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 49.51 -42.13 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.56 1 C-N-CA 133.132 4.573 . . . . 0.0 115.725 -165.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 63.4 p -114.56 -52.94 2.69 Favored 'General case' 0 C--O 1.252 1.185 0 O-C-N 125.87 1.981 . . . . 0.0 116.107 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.21 -48.06 24.21 Favored 'General case' 0 N--CA 1.511 2.608 0 O-C-N 117.053 -3.53 . . . . 0.0 120.125 -170.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -66.52 5.11 0.63 Allowed 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 128.195 2.598 . . . . 0.0 115.409 174.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.97 -22.82 2.03 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 113.858 -1.519 . . . . 0.0 108.715 -174.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.641 HG13 ' HB2' ' A' ' 98' ' ' ALA . 25.7 m -93.52 -6.22 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.614 0 O-C-N 118.388 -2.695 . . . . 0.0 115.657 165.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 54.3 p -64.03 -29.92 71.03 Favored 'General case' 0 CA--C 1.577 1.988 0 N-CA-C 105.923 -1.88 . . . . 0.0 105.923 167.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -54.01 -39.17 65.87 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 124.726 1.211 . . . . 0.0 113.867 165.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.523 HD12 HG12 ' B' ' 16' ' ' VAL . 53.9 mt -86.12 -57.75 4.04 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.193 0 CA-C-O 123.649 1.69 . . . . 0.0 110.74 177.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -78.74 -12.69 60.03 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 119.527 -1.983 . . . . 0.0 110.447 -156.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.5 pttm -83.08 -36.67 24.7 Favored 'General case' 0 C--O 1.243 0.761 1 O-C-N 116.254 -4.029 . . . . 0.0 114.272 159.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.27 -14.4 62.96 Favored 'General case' 0 C--O 1.207 -1.177 0 CA-C-O 123.803 1.763 . . . . 0.0 115.331 -170.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 22.6 mt -65.55 -11.36 43.15 Favored 'General case' 0 CA--C 1.575 1.93 0 CA-C-N 110.892 -2.867 . . . . 0.0 118.028 -174.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.2 35.76 0.31 Allowed Glycine 0 CA--C 1.559 2.833 0 C-N-CA 130.486 3.898 . . . . 0.0 116.354 -173.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -144.29 127.86 17.06 Favored 'General case' 0 N--CA 1.508 2.471 0 CA-C-N 120.441 2.12 . . . . 0.0 105.472 161.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -29.43 69.43 Favored 'General case' 0 CA--C 1.595 2.682 0 O-C-N 118.991 -2.318 . . . . 0.0 106.86 -177.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -72.04 -41.03 67.96 Favored 'General case' 0 CA--C 1.577 1.982 0 O-C-N 119.216 -2.178 . . . . 0.0 109.499 -172.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.419 ' HA ' HD12 ' B' ' 31' ' ' ILE . 95.3 mtt180 -50.57 -35.45 29.99 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 125.486 2.565 . . . . 0.0 114.776 167.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 13.8 mm -91.34 -28.4 4.78 Favored 'Isoleucine or valine' 0 C--O 1.261 1.695 0 CA-C-N 111.85 -2.432 . . . . 0.0 111.008 -169.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . 0.31 11.5 ttt180 -70.32 -33.54 71.63 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 118.75 -2.469 . . . . 0.0 108.374 171.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' B' ' 28' ' ' ARG . 26.2 mt -52.93 -47.58 52.84 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.606 0 O-C-N 124.65 1.219 . . . . 0.0 113.868 161.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 75.7 mtm -97.08 -33.52 11.49 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-N 121.699 2.045 . . . . 0.0 112.169 -158.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -34.75 -63.92 0.29 Allowed 'General case' 0 CA--C 1.572 1.804 0 O-C-N 125.33 1.644 . . . . 0.0 112.987 140.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.634 HD13 ' C ' ' B' ' 34' ' ' LEU . 1.2 tm? -57.93 -44.47 86.93 Favored 'General case' 0 C--N 1.365 1.258 0 CA-C-N 121.149 1.795 . . . . 0.0 115.356 -178.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.538 ' N ' HD13 ' B' ' 34' ' ' LEU . 79.6 mt -58.92 -33.51 70.66 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-O 126.707 3.146 . . . . 0.0 110.178 -172.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . 0.445 ' HB3' HD11 ' B' ' 82' ' ' LEU . 6.0 p -66.19 -17.86 64.99 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 112.089 -2.323 . . . . 0.0 113.831 -172.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 35.4 m -106.88 -47.85 8.37 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.601 0 O-C-N 127.355 2.91 . . . . 0.0 117.622 165.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 33.1 m -140.47 137.36 33.82 Favored 'General case' 0 CA--C 1.494 -1.197 0 CA-C-N 123.483 2.856 . . . . 0.0 110.981 158.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.99 144.17 53.87 Favored 'General case' 0 C--O 1.293 3.38 0 CA-C-O 117.662 -1.161 . . . . 0.0 111.391 -176.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -140.54 157.23 45.79 Favored 'General case' 0 CA--C 1.602 2.946 0 CA-C-N 119.994 1.27 . . . . 0.0 108.481 166.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 26.6 t -117.18 156.89 26.9 Favored 'General case' 0 N--CA 1.424 -1.751 0 C-N-CA 125.546 1.539 . . . . 0.0 113.727 169.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 99.5 t -16.86 -56.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.137 1 C-N-CA 132.228 4.211 . . . . 0.0 113.565 -171.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.75 -46.67 7.69 Favored Glycine 0 N--CA 1.494 2.512 0 CA-C-N 122.337 2.335 . . . . 0.0 110.146 -169.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 -55.6 -50.73 69.34 Favored 'General case' 0 CA--C 1.567 1.603 0 CA-C-O 115.856 -2.021 . . . . 0.0 113.075 168.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.851 HG23 HD13 ' B' ' 49' ' ' LEU . 55.7 mt -56.07 -47.63 80.11 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 CA-C-N 122.669 2.486 . . . . 0.0 108.791 177.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 72.3 m -56.22 -32.17 64.18 Favored 'General case' 0 CA--C 1.604 3.021 0 O-C-N 118.105 -2.872 . . . . 0.0 115.204 174.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.44 -53.7 7.33 Favored 'General case' 0 CA--C 1.585 2.313 0 C-N-CA 116.528 -2.069 . . . . 0.0 113.153 167.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -57.56 -34.38 69.13 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.24 2.216 . . . . 0.0 114.809 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.851 HD13 HG23 ' B' ' 45' ' ' ILE . 6.0 mp -111.48 8.89 21.27 Favored 'General case' 0 C--N 1.269 -2.913 0 C-N-CA 128.666 2.786 . . . . 0.0 113.524 -177.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 35.2 m120 42.24 56.42 3.65 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-O 123.847 1.784 . . . . 0.0 109.64 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 14.7 mt -115.35 168.59 9.84 Favored 'General case' 0 C--N 1.358 0.962 0 O-C-N 118.72 -2.487 . . . . 0.0 105.031 171.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.1 t -68.74 140.14 55.36 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 120.552 3.538 . . . . 0.0 120.552 161.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -60.92 -39.74 90.55 Favored 'General case' 0 C--O 1.211 -0.93 0 C-N-CA 124.661 1.184 . . . . 0.0 110.6 177.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.4 -22.1 66.75 Favored 'General case' 0 C--O 1.254 1.303 0 C-N-CA 125.181 1.392 . . . . 0.0 114.325 170.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . 0.256 14.9 t-20 -76.97 -48.92 16.7 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 126.586 1.955 . . . . 0.0 106.466 177.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.2 t -79.43 -25.29 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.969 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -178.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 60.4 m -56.89 -2.57 0.09 Allowed 'General case' 0 N--CA 1.513 2.679 0 O-C-N 118.584 -2.572 . . . . 0.0 113.378 165.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -129.24 -37.91 1.62 Allowed 'General case' 0 N--CA 1.511 2.614 0 O-C-N 120.442 -1.412 . . . . 0.0 112.808 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -79.76 -33.82 40.34 Favored 'General case' 0 C--O 1.208 -1.088 0 O-C-N 128.047 3.342 . . . . 0.0 108.74 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.562 HD21 ' CG ' ' B' ' 80' ' ' TYR . 13.0 tp -65.63 -31.63 72.76 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 172.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -71.16 -39.53 71.86 Favored 'General case' 0 C--O 1.272 2.246 0 N-CA-C 117.697 2.48 . . . . 0.0 117.697 168.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.418 ' C ' HD13 ' B' ' 62' ' ' LEU . 1.4 tm? -55.24 -52.81 62.2 Favored 'General case' 0 CA--C 1.491 -1.32 0 CA-C-O 122.397 1.094 . . . . 0.0 111.787 170.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.41 ' N ' HD13 ' B' ' 62' ' ' LEU . 19.6 mt -60.03 -37.19 79.05 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 125.809 1.644 . . . . 0.0 113.505 -174.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -59.22 -54.28 48.7 Favored 'General case' 0 C--O 1.206 -1.223 1 CA-C-N 107.947 -4.206 . . . . 0.0 112.574 172.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . 0.266 5.4 m -58.97 -14.34 9.01 Favored 'General case' 0 N--CA 1.518 2.975 0 CA-C-O 114.149 -2.834 . . . . 0.0 112.583 170.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . 0.25 29.5 m -121.81 28.24 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.931 0 CA-C-N 124.749 3.431 . . . . 0.0 110.153 177.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . 0.323 13.8 m170 70.02 -0.64 2.68 Favored 'General case' 0 C--O 1.264 1.841 0 O-C-N 118.201 -2.812 . . . . 0.0 117.698 155.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 3.6 mp -84.32 -16.69 42.08 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-N 124.071 3.123 . . . . 0.0 117.358 165.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 t -117.17 143.24 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 127.82 2.448 . . . . 0.0 111.902 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -127.21 153.47 46.05 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 127.233 2.213 . . . . 0.0 109.522 158.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . 0.404 ' HB1' ' SD ' ' B' ' 78' ' ' MET . . . -101.76 148.35 25.39 Favored 'General case' 0 CA--C 1.564 1.517 0 C-N-CA 129.052 2.941 . . . . 0.0 114.155 162.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 35.8 pttt -139.84 149.27 43.26 Favored 'General case' 0 C--N 1.306 -1.289 0 C-N-CA 126.083 1.753 . . . . 0.0 115.682 173.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -97.23 119.33 35.53 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-O 116.866 -1.54 . . . . 0.0 113.626 178.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 38.5 tp60 -154.67 121.86 5.62 Favored 'General case' 0 N--CA 1.5 2.035 1 C-N-CA 131.8 4.04 . . . . 0.0 108.067 167.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.99 -144.8 30.31 Favored Glycine 0 C--O 1.262 1.868 1 C-N-CA 133.434 5.302 . . . . 0.0 114.718 176.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -77.58 -11.38 59.85 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 116.493 2.034 . . . . 0.0 116.493 -176.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 42.2 p -129.11 -177.33 4.18 Favored 'General case' 0 C--O 1.252 1.206 0 C-N-CA 127.506 2.322 . . . . 0.0 112.134 -177.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.404 ' SD ' ' HB1' ' B' ' 71' ' ' ALA . 38.0 ttm -109.32 128.6 55.22 Favored 'General case' 0 C--N 1.378 1.829 0 C-N-CA 127.886 2.474 . . . . 0.0 106.048 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 15.9 mm -101.17 145.88 10.58 Favored 'Isoleucine or valine' 0 C--O 1.265 1.874 0 CA-C-N 124.878 3.49 . . . . 0.0 103.877 -174.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . 0.562 ' CG ' HD21 ' B' ' 60' ' ' LEU . 61.3 m-85 -123.1 135.37 54.35 Favored 'General case' 0 CA--C 1.59 2.502 0 O-C-N 116.773 -3.704 . . . . 0.0 110.165 -174.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.18 177.71 4.63 Favored 'General case' 0 CA--C 1.483 -1.607 0 C-N-CA 131.564 3.946 . . . . 0.0 115.66 -174.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.688 HD13 ' HB2' ' B' ' 88' ' ' ALA . 22.7 mt -75.35 142.39 43.18 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 127.922 2.489 . . . . 0.0 104.992 155.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -69.9 -53.3 18.59 Favored 'General case' 0 C--N 1.388 2.251 0 CA-C-N 119.434 1.016 . . . . 0.0 110.917 -174.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . 0.275 3.9 p30 -138.73 171.4 14.4 Favored 'General case' 0 CA--C 1.624 3.804 0 CA-C-O 126.682 3.134 . . . . 0.0 111.358 141.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.417 ' H ' HG13 ' B' ' 85' ' ' ILE . 2.5 pp -66.4 0.95 0.68 Allowed 'Isoleucine or valine' 0 C--O 1.215 -0.726 0 N-CA-C 117.448 2.388 . . . . 0.0 117.448 175.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -57.55 -58.25 9.11 Favored 'General case' 0 C--N 1.362 1.144 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 161.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 3.4 m -75.15 -23.92 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 120.851 -1.156 . . . . 0.0 111.694 -170.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.688 ' HB2' HD13 ' B' ' 82' ' ' LEU . . . -61.58 -37.38 83.63 Favored 'General case' 0 C--O 1.19 -2.039 0 CA-C-O 121.841 0.829 . . . . 0.0 109.871 171.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 61.3 m -73.15 -44.67 59.71 Favored 'General case' 0 C--O 1.259 1.598 0 CA-C-O 114.951 -2.452 . . . . 0.0 109.391 178.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -47.36 -46.47 25.76 Favored 'General case' 0 C--O 1.255 1.369 0 CA-C-N 121.371 1.896 . . . . 0.0 111.565 167.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.441 HD23 HD13 ' B' ' 95' ' ' ILE . 5.5 tt -75.55 -48.55 21.94 Favored 'General case' 0 N--CA 1.418 -2.072 0 O-C-N 124.138 0.899 . . . . 0.0 111.961 -168.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -52.68 -35.48 55.34 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 115.667 -2.111 . . . . 0.0 115.398 167.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -77.84 -24.12 48.73 Favored 'General case' 0 N--CA 1.511 2.624 0 O-C-N 126.142 2.151 . . . . 0.0 111.061 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.14 -52.46 12.46 Favored 'General case' 0 CA--C 1.598 2.793 0 CA-C-O 114.634 -2.603 . . . . 0.0 109.971 174.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.441 HD13 HD23 ' B' ' 91' ' ' LEU . 1.6 mp -44.38 -47.65 2.38 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.875 0 C-N-CA 126.293 1.837 . . . . 0.0 111.201 161.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . 0.494 ' CD2' ' CD2' ' A' ' 86' ' ' HIS . 3.7 t60 -65.44 -49.37 69.41 Favored 'General case' 0 CA--C 1.576 1.943 0 O-C-N 124.116 0.885 . . . . 0.0 113.064 -173.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -64.35 -20.44 66.11 Favored 'General case' 0 CA--C 1.583 2.216 0 CA-C-O 114.474 -2.679 . . . . 0.0 116.652 174.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.444 ' HB1' ' HG2' ' A' ' 15' ' ' ARG . . . -95.91 0.96 52.62 Favored 'General case' 0 CA--C 1.571 1.783 0 CA-C-N 121.377 1.898 . . . . 0.0 111.229 174.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -144.56 62.72 1.32 Allowed 'General case' 0 C--O 1.265 1.91 0 O-C-N 119.254 -2.154 . . . . 0.0 110.876 172.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 67.6 m170 -53.75 125.37 46.32 Favored Pre-proline 0 CA--C 1.557 1.214 0 CA-C-O 115.96 -1.971 . . . . 0.0 107.583 172.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -70.48 -2.49 10.78 Favored 'Trans proline' 0 C--O 1.262 1.723 0 CA-C-N 125.737 3.085 . . . . 0.0 119.368 -170.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -149.05 144.8 26.93 Favored 'General case' 0 C--N 1.369 1.444 0 O-C-N 120.442 -1.411 . . . . 0.0 108.393 158.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 . . . . . 0 CA--C 1.582 2.205 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -174.565 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 . . . . . 0 CA--C 1.541 0.63 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.0 p -142.44 -33.43 0.47 Allowed 'General case' 0 N--CA 1.5 2.038 0 CA-C-O 113.275 -3.25 . . . . 0.0 112.212 175.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.298 11.9 m-20 60.13 -49.37 0.09 Allowed 'General case' 0 C--N 1.382 2.018 0 O-C-N 128.22 3.45 . . . . 0.0 118.135 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.9 p -127.6 -20.71 3.91 Favored 'General case' 0 N--CA 1.425 -1.696 0 O-C-N 118.582 -2.574 . . . . 0.0 109.006 170.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -56.41 -33.08 65.45 Favored 'General case' 0 C--O 1.18 -2.561 0 C-N-CA 129.869 3.268 . . . . 0.0 116.207 -162.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -71.53 -28.09 63.64 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 105.531 -2.026 . . . . 0.0 105.531 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -84.72 -5.29 59.31 Favored 'General case' 0 C--O 1.209 -1.049 0 CA-C-O 121.908 0.861 . . . . 0.0 112.246 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.475 HG12 ' CZ ' ' A' ' 20' ' ' PHE . 11.3 t -100.01 -38.63 6.74 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.317 0 C-N-CA 127.054 2.142 . . . . 0.0 107.773 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.7 p -72.26 -14.9 61.89 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 119.072 -2.267 . . . . 0.0 106.272 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -64.78 -35.99 82.88 Favored 'General case' 0 N--CA 1.514 2.738 0 N-CA-C 104.829 -2.285 . . . . 0.0 104.829 169.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.388 2.1 pp -102.93 21.46 2.59 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 CA-C-O 113.35 -3.214 . . . . 0.0 112.426 -177.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.475 ' CZ ' HG12 ' A' ' 16' ' ' VAL . 8.3 m-85 -107.93 -27.69 10.04 Favored 'General case' 0 CA--C 1.564 1.491 0 CA-C-N 122.864 2.575 . . . . 0.0 112.415 161.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -77.91 69.65 4.17 Favored 'General case' 0 C--O 1.274 2.377 0 CA-C-O 127.801 3.667 . . . . 0.0 107.727 161.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -169.67 -42.21 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 110.829 -2.896 . . . . 0.0 109.682 -174.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.3 mt -75.47 -128.48 0.01 OUTLIER 'General case' 0 CA--C 1.58 2.134 0 C-N-CA 129.662 3.185 . . . . 0.0 108.472 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.46 7.35 7.39 Favored Glycine 2 N--CA 1.529 4.893 0 N-CA-C 121.854 3.502 . . . . 0.0 121.854 169.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . 0.362 49.9 t0 -137.89 160.64 38.76 Favored 'General case' 0 N--CA 1.503 2.189 0 C-N-CA 126.393 1.877 . . . . 0.0 108.992 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -86.32 -68.65 0.72 Allowed 'General case' 0 C--O 1.28 2.708 0 CA-C-O 126.738 3.161 . . . . 0.0 117.358 -171.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -56.57 -51.71 67.58 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 117.133 -3.48 . . . . 0.0 107.345 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -27.02 -35.7 0.01 OUTLIER 'General case' 0 C--O 1.195 -1.8 0 N-CA-C 118.614 2.82 . . . . 0.0 118.614 171.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.421 HG13 HD11 ' B' ' 13' ' ' LEU 0.265 2.3 pt -111.53 -21.2 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.637 0 CA-C-O 113.945 -2.931 . . . . 0.0 113.693 173.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.9 ttp85 -57.52 -16.73 10.7 Favored 'General case' 0 N--CA 1.519 2.989 0 O-C-N 125.456 1.722 . . . . 0.0 111.768 162.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.6 mt -84.86 -34.46 9.1 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.899 0 O-C-N 120.022 -1.674 . . . . 0.0 112.28 176.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.1 mtm -84.21 -34.13 23.99 Favored 'General case' 0 CA--C 1.578 2.043 0 O-C-N 117.202 -3.436 . . . . 0.0 112.292 -175.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.44 ' HA ' HD22 ' A' ' 91' ' ' LEU . 1.5 tm-20 -37.81 -39.74 0.38 Allowed 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 150.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.489 HD13 ' C ' ' A' ' 34' ' ' LEU . 1.5 tm? -83.38 -49.82 8.96 Favored 'General case' 0 C--O 1.197 -1.69 0 O-C-N 119.06 -2.275 . . . . 0.0 112.972 177.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.421 HD23 ' H ' ' A' ' 40' ' ' ALA . 85.2 mt -53.8 -28.28 34.18 Favored 'General case' 0 C--O 1.262 1.74 0 O-C-N 118.635 -2.54 . . . . 0.0 114.792 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.2 m -57.09 -16.62 7.9 Favored 'General case' 0 CA--C 1.569 1.68 0 O-C-N 127.948 3.28 . . . . 0.0 119.141 169.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.2 m -125.26 -25.01 1.77 Allowed 'Isoleucine or valine' 0 C--O 1.301 3.777 0 O-C-N 128.142 3.401 . . . . 0.0 113.155 172.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.4 m -153.31 113.19 3.9 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 117.719 -3.113 . . . . 0.0 110.087 165.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -55.06 117.98 3.93 Favored 'General case' 0 C--O 1.269 2.096 0 C-N-CA 125.377 1.471 . . . . 0.0 112.845 174.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.421 ' H ' HD23 ' A' ' 35' ' ' LEU . . . -129.82 160.46 33.41 Favored 'General case' 0 N--CA 1.423 -1.791 0 C-N-CA 127.939 2.496 . . . . 0.0 113.185 -175.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.416 ' HB2' ' HA ' ' A' ' 79' ' ' ILE . 29.0 t -129.47 158.91 37.88 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 117.565 -3.209 . . . . 0.0 111.381 -178.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.404 HG23 ' H ' ' A' ' 42' ' ' VAL . 4.6 t -23.54 -53.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.527 3.386 0 C-N-CA 129.351 3.06 . . . . 0.0 118.198 -173.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.67 -52.85 49.49 Favored Glycine 0 CA--C 1.469 -2.809 0 CA-C-O 116.653 -2.193 . . . . 0.0 113.428 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -69.86 -36.71 75.73 Favored 'General case' 0 C--N 1.401 2.823 0 C-N-CA 127.824 2.45 . . . . 0.0 110.024 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . 0.271 96.1 mt -51.79 -60.7 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.19 -2.067 0 O-C-N 119.522 -1.986 . . . . 0.0 113.23 175.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.0 m -55.92 -6.76 0.25 Allowed 'General case' 0 C--O 1.24 0.589 0 CA-C-N 111.519 -2.582 . . . . 0.0 115.519 -173.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -124.97 -34.51 2.78 Favored 'General case' 0 C--N 1.373 1.589 0 O-C-N 119.326 -2.109 . . . . 0.0 113.921 -176.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -79.56 -34.75 40.68 Favored 'General case' 0 C--O 1.254 1.294 0 C-N-CA 126.868 2.067 . . . . 0.0 112.05 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.0 mp -103.81 9.34 37.0 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 117.95 -1.024 . . . . 0.0 111.38 171.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.297 2.3 m120 41.64 64.35 1.07 Allowed 'General case' 0 C--N 1.309 -1.168 1 C-N-CA 134.965 5.306 . . . . 0.0 116.371 -174.686 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.2 mt -106.03 -125.18 0.23 Allowed 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 116.817 -1.563 . . . . 0.0 110.494 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.8 p -163.88 154.85 15.92 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 122.027 2.194 . . . . 0.0 107.16 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -69.3 -44.09 72.47 Favored 'General case' 0 C--N 1.364 1.23 0 O-C-N 119.662 -1.899 . . . . 0.0 112.767 -165.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . 0.321 0.8 OUTLIER -67.11 -29.24 68.93 Favored 'General case' 0 CA--C 1.561 1.401 0 O-C-N 128.313 3.508 . . . . 0.0 109.171 178.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -71.86 -38.93 69.99 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 121.84 2.109 . . . . 0.0 106.358 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.1 t -82.68 -31.51 9.47 Favored 'Isoleucine or valine' 0 C--O 1.253 1.242 0 CA-C-O 117.439 -1.267 . . . . 0.0 111.886 -175.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.5 m -62.34 8.13 0.05 Allowed 'General case' 0 C--N 1.283 -2.306 0 O-C-N 125.167 1.542 . . . . 0.0 112.764 171.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -128.36 -37.24 1.85 Allowed 'General case' 0 CA--C 1.593 2.604 0 C-N-CA 128.53 2.732 . . . . 0.0 109.832 175.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -89.67 -43.69 10.55 Favored 'General case' 0 CA--C 1.585 2.301 0 CA-C-O 115.939 -1.981 . . . . 0.0 108.296 -168.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 tp -46.62 -55.27 7.93 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-N 119.004 0.82 . . . . 0.0 112.038 158.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -62.46 -35.17 78.47 Favored 'General case' 0 N--CA 1.444 -0.771 0 O-C-N 118.703 -2.498 . . . . 0.0 113.365 -178.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.449 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -67.89 -54.94 14.93 Favored 'General case' 0 C--N 1.292 -1.894 0 CA-C-N 120.353 1.433 . . . . 0.0 112.732 174.824 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.449 ' N ' HD13 ' A' ' 62' ' ' LEU . 45.9 mt -53.8 -30.26 44.17 Favored 'General case' 0 CA--C 1.567 1.607 0 O-C-N 126.565 2.415 . . . . 0.0 112.572 -173.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -52.68 -43.23 65.44 Favored 'General case' 0 CA--C 1.484 -1.589 0 C-N-CA 130.726 3.611 . . . . 0.0 115.5 171.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.1 m -82.29 -13.96 56.15 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 125.963 1.705 . . . . 0.0 109.471 -173.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.3 m -115.16 20.02 6.95 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.691 0 CA-C-O 117.177 -1.392 . . . . 0.0 113.393 -177.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.404 16.4 p80 60.08 24.37 13.61 Favored 'General case' 0 C--O 1.258 1.55 0 C-N-CA 129.162 2.985 . . . . 0.0 118.316 166.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.9 mp -97.08 -13.68 22.05 Favored 'General case' 0 CA--C 1.575 1.938 0 O-C-N 119.372 -2.08 . . . . 0.0 111.037 167.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.2 t -133.55 149.38 30.99 Favored 'Isoleucine or valine' 0 CA--C 1.62 3.662 0 O-C-N 128.4 3.563 . . . . 0.0 113.78 -174.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -152.24 116.49 4.97 Favored 'General case' 0 C--N 1.365 1.262 1 O-C-N 129.198 4.061 . . . . 0.0 108.969 -172.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.637 ' HB2' ' CZ ' ' A' ' 80' ' ' TYR . . . -69.04 157.83 36.01 Favored 'General case' 0 N--CA 1.509 2.521 0 N-CA-C 117.07 2.248 . . . . 0.0 117.07 168.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -161.5 156.76 23.94 Favored 'General case' 0 C--O 1.2 -1.514 0 O-C-N 126.817 2.573 . . . . 0.0 114.046 168.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -97.17 104.68 16.72 Favored 'General case' 0 C--O 1.21 -0.999 0 O-C-N 119.028 -2.295 . . . . 0.0 113.98 -174.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -115.22 100.88 8.46 Favored 'General case' 0 N--CA 1.51 2.569 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 174.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.23 -146.86 29.56 Favored Glycine 0 N--CA 1.436 -1.35 0 CA-C-O 125.207 2.56 . . . . 0.0 107.109 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -67.27 12.07 0.1 Allowed 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 119.379 3.103 . . . . 0.0 119.379 169.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.1 m -141.65 154.34 45.3 Favored 'General case' 0 CA--C 1.447 -2.999 0 C-N-CA 126.862 2.065 . . . . 0.0 116.462 -171.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 97.7 mmm -103.36 108.72 20.06 Favored 'General case' 0 N--CA 1.522 3.134 0 N-CA-C 102.477 -3.157 . . . . 0.0 102.477 -178.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.416 ' HA ' ' HB2' ' A' ' 41' ' ' SER 0.349 21.6 mm -91.99 138.96 18.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 C-N-CA 125.916 1.686 . . . . 0.0 110.634 -175.476 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.637 ' CZ ' ' HB2' ' A' ' 71' ' ' ALA . 15.0 m-85 -118.18 145.0 45.27 Favored 'General case' 0 N--CA 1.438 -1.026 1 O-C-N 114.286 -5.259 . . . . 0.0 112.069 -174.515 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . 0.256 26.1 m -130.85 169.41 15.79 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 130.229 3.412 . . . . 0.0 114.854 -177.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -55.24 147.32 16.84 Favored 'General case' 0 N--CA 1.52 3.051 0 C-N-CA 124.088 0.955 . . . . 0.0 108.965 154.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.27 -46.57 89.37 Favored 'General case' 0 N--CA 1.527 3.384 0 O-C-N 124.811 1.32 . . . . 0.0 110.408 174.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -158.14 165.13 35.74 Favored 'General case' 0 N--CA 1.412 -2.326 0 CA-C-N 121.941 2.155 . . . . 0.0 115.044 169.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.9 tp -46.52 -25.7 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.586 2.359 0 O-C-N 116.876 -3.64 . . . . 0.0 115.582 172.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -57.21 -52.87 63.58 Favored 'General case' 0 C--O 1.272 2.237 2 CA-C-N 128.027 4.921 . . . . 0.0 110.649 170.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.99 -32.61 52.08 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.288 0 CA-C-O 117.866 -1.064 . . . . 0.0 113.098 -178.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.51 -41.16 72.7 Favored 'General case' 0 CA--C 1.589 2.454 0 O-C-N 124.508 1.13 . . . . 0.0 112.283 168.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.1 m -71.36 -47.49 56.01 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 113.596 -1.638 . . . . 0.0 107.204 -169.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.417 ' HA ' ' HG2' ' B' ' 90' ' ' MET . 26.9 ttp -38.85 -51.73 1.74 Allowed 'General case' 0 C--O 1.197 -1.695 0 C-N-CA 126.164 1.786 . . . . 0.0 111.663 171.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 33' ' ' GLU . 6.0 tt -81.79 -34.36 30.38 Favored 'General case' 0 CA--C 1.484 -1.564 0 O-C-N 120.829 -1.169 . . . . 0.0 112.612 -173.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.7 tttp -69.81 -44.05 70.81 Favored 'General case' 0 C--O 1.191 -1.983 0 O-C-N 123.96 0.788 . . . . 0.0 110.688 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.413 ' HA ' ' HB2' ' A' ' 96' ' ' HIS . 94.2 mm-40 -72.58 -25.68 61.43 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 178.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.407 ' HB2' ' HG3' ' B' ' 90' ' ' MET . . . -74.39 -42.81 58.64 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-O 115.923 -1.989 . . . . 0.0 111.603 167.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.602 HD12 ' CG1' ' B' ' 16' ' ' VAL 0.304 0.4 OUTLIER -45.52 -19.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.903 0 CA-C-O 127.9 3.714 . . . . 0.0 116.77 157.87 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.413 ' HB2' ' HA ' ' A' ' 93' ' ' GLN . 40.7 m-70 -105.21 -12.69 15.98 Favored 'General case' 0 C--O 1.264 1.843 0 O-C-N 117.976 -2.952 . . . . 0.0 111.207 -174.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -92.62 -24.29 18.73 Favored 'General case' 0 C--O 1.253 1.265 0 CA-C-N 122.242 2.292 . . . . 0.0 108.804 167.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.35 -22.95 55.34 Favored 'General case' 0 C--O 1.247 0.957 0 O-C-N 119.16 -2.213 . . . . 0.0 116.339 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -150.37 155.87 40.44 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 125.62 1.825 . . . . 0.0 108.326 171.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -132.66 58.74 38.27 Favored Pre-proline 0 N--CA 1.503 2.214 0 O-C-N 126.839 2.587 . . . . 0.0 114.811 -175.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -90.98 158.35 3.95 Favored 'Trans proline' 0 C--N 1.394 2.96 0 N-CA-C 120.145 3.094 . . . . 0.0 120.145 -147.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . 0.343 50.3 tttm -73.36 137.45 44.73 Favored 'General case' 0 CA--C 1.543 0.694 1 C-N-CA 134.948 5.299 . . . . 0.0 108.689 163.241 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 C--O 1.265 1.875 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 173.386 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 C--O 1.198 -1.628 0 CA-C-O 122.436 1.112 . . . . 0.0 113.435 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 32.4 p -138.31 -14.53 1.31 Allowed 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 112.251 -2.25 . . . . 0.0 114.628 -168.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 48.69 -8.41 0.0 OUTLIER 'General case' 0 CA--C 1.566 1.568 0 C-N-CA 129.667 3.187 . . . . 0.0 115.83 -164.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.513 ' HB ' HG13 ' A' ' 95' ' ' ILE . 38.8 p -138.28 -76.02 0.38 Allowed 'General case' 0 N--CA 1.524 3.241 0 C-N-CA 130.361 3.464 . . . . 0.0 109.174 -152.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.465 HD22 HD11 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -54.31 -53.91 47.48 Favored 'General case' 0 N--CA 1.415 -2.193 0 CA-C-N 120.937 1.699 . . . . 0.0 115.429 177.258 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -71.15 14.72 0.14 Allowed 'General case' 0 N--CA 1.522 3.137 0 C-N-CA 117.625 -1.63 . . . . 0.0 113.452 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.66 -23.0 4.12 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 118.277 2.695 . . . . 0.0 118.277 164.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.602 ' CG1' HD12 ' A' ' 95' ' ' ILE . 20.9 m -80.83 -16.16 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.138 0 CA-C-N 120.87 1.668 . . . . 0.0 113.606 168.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 3.8 p -49.93 -42.38 48.26 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 125.17 1.388 . . . . 0.0 107.701 166.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -55.35 -44.72 76.22 Favored 'General case' 0 C--O 1.287 3.059 0 N-CA-C 117.752 2.501 . . . . 0.0 117.752 169.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 22.7 mt -77.84 -66.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.37 1.486 0 O-C-N 119.5 -2.0 . . . . 0.0 113.268 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-30 -51.02 -34.15 28.2 Favored 'General case' 0 N--CA 1.514 2.769 0 C-N-CA 128.037 2.535 . . . . 0.0 115.041 -167.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 29.9 pttt -77.75 -35.67 51.53 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 125.673 1.858 . . . . 0.0 113.899 175.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.78 3.46 19.45 Favored 'General case' 0 C--O 1.264 1.857 0 O-C-N 128.307 3.504 . . . . 0.0 119.715 -168.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 mt -81.64 -11.88 58.92 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 130.562 3.545 . . . . 0.0 111.46 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.94 24.04 0.25 Allowed Glycine 0 CA--C 1.548 2.151 1 N-CA-C 123.235 4.054 . . . . 0.0 123.235 -165.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -129.85 127.19 39.75 Favored 'General case' 0 CA--C 1.501 -0.907 0 C-N-CA 128.159 2.584 . . . . 0.0 106.895 171.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -65.32 -24.44 67.28 Favored 'General case' 0 N--CA 1.439 -1.021 0 O-C-N 124.792 1.307 . . . . 0.0 108.531 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.409 ' O ' HD12 ' B' ' 31' ' ' ILE . 51.4 m-80 -67.55 -44.51 78.1 Favored 'General case' 0 N--CA 1.503 2.192 1 O-C-N 116.182 -4.074 . . . . 0.0 109.399 -178.381 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -56.89 -31.22 64.65 Favored 'General case' 0 CA--C 1.511 -0.545 0 O-C-N 126.558 2.411 . . . . 0.0 110.991 178.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 33.7 mm -97.6 -38.55 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.555 0 CA-C-O 117.811 -1.09 . . . . 0.0 111.206 -167.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 26.7 ttt-85 -67.11 -24.24 65.91 Favored 'General case' 0 CA--C 1.599 2.846 0 CA-C-O 117.689 -1.148 . . . . 0.0 108.064 174.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.413 HG13 HD22 ' B' ' 49' ' ' LEU . 15.6 mt -67.76 -29.48 45.25 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.158 0 CA-C-O 113.664 -3.065 . . . . 0.0 112.0 167.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 75.2 mtm -101.78 -32.12 10.43 Favored 'General case' 0 C--O 1.187 -2.213 0 CA-C-N 124.079 3.127 . . . . 0.0 112.573 -171.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.46 ' N ' HD22 ' B' ' 91' ' ' LEU . 2.7 tm-20 -35.37 -56.63 0.63 Allowed 'General case' 1 N--CA 1.543 4.221 0 C-N-CA 125.2 1.4 . . . . 0.0 112.675 140.35 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.418 HD13 ' N ' ' B' ' 35' ' ' LEU 0.255 0.4 OUTLIER -68.76 -53.94 18.93 Favored 'General case' 0 C--O 1.25 1.115 0 O-C-N 119.83 -1.794 . . . . 0.0 113.788 177.371 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.418 ' N ' HD13 ' B' ' 34' ' ' LEU . 21.4 mt -59.11 -33.42 70.83 Favored 'General case' 0 C--O 1.257 1.488 0 O-C-N 116.997 -3.564 . . . . 0.0 114.805 -170.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 84.3 p -76.38 -9.39 58.61 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 108.638 -3.892 . . . . 0.0 113.063 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 m -111.53 -38.83 3.32 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 O-C-N 117.555 -3.216 . . . . 0.0 114.487 167.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 6.3 t -149.86 130.99 14.45 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 119.759 -1.838 . . . . 0.0 113.601 167.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -80.34 132.26 35.77 Favored 'General case' 0 N--CA 1.51 2.561 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 -169.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -135.23 152.07 51.2 Favored 'General case' 0 CA--C 1.555 1.141 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 171.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.542 ' HB2' ' HA ' ' B' ' 79' ' ' ILE . 23.5 t -92.54 152.83 19.41 Favored 'General case' 0 CA--C 1.48 -1.717 0 O-C-N 127.135 2.772 . . . . 0.0 112.825 168.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.404 HG13 ' HB ' ' B' ' 56' ' ' VAL . 2.7 t -17.63 -60.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.362 1.123 0 C-N-CA 126.775 2.03 . . . . 0.0 116.283 170.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.46 -43.15 66.38 Favored Glycine 0 CA--C 1.564 3.155 0 CA-C-O 122.364 0.98 . . . . 0.0 112.857 -176.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -89.09 -34.68 16.67 Favored 'General case' 0 C--O 1.191 -1.993 0 CA-C-O 114.4 -2.714 . . . . 0.0 106.708 -175.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.457 HG23 HD13 ' B' ' 49' ' ' LEU . 84.3 mt -53.85 -45.85 63.08 Favored 'Isoleucine or valine' 0 C--N 1.368 1.374 0 CA-C-N 121.002 1.728 . . . . 0.0 112.32 170.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 19.9 m -53.66 -32.86 53.21 Favored 'General case' 0 N--CA 1.405 -2.679 0 CA-C-O 115.123 -2.37 . . . . 0.0 110.893 176.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -83.94 -47.98 10.46 Favored 'General case' 0 N--CA 1.528 3.457 0 CA-C-O 113.51 -3.138 . . . . 0.0 113.112 166.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -71.18 -13.57 61.97 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 121.669 2.031 . . . . 0.0 113.55 -170.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.457 HD13 HG23 ' B' ' 45' ' ' ILE . 5.4 mp -128.4 15.45 6.61 Favored 'General case' 0 C--O 1.186 -2.25 0 O-C-N 116.785 -3.697 . . . . 0.0 115.014 170.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 27.2 m120 50.76 48.74 22.3 Favored 'General case' 0 CA--C 1.595 2.703 0 C-N-CA 127.843 2.457 . . . . 0.0 110.775 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 26.6 mt -101.25 149.75 23.68 Favored 'General case' 0 C--O 1.267 1.986 0 C-N-CA 125.967 1.707 . . . . 0.0 109.674 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 8.2 p -79.1 151.71 31.24 Favored 'General case' 0 C--N 1.301 -1.523 1 O-C-N 114.813 -4.929 . . . . 0.0 114.176 165.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . 0.294 22.2 tt0 -69.98 -38.85 76.14 Favored 'General case' 0 CA--C 1.595 2.71 0 C-N-CA 117.102 -1.839 . . . . 0.0 112.666 -166.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 19.9 m -63.9 -22.32 66.87 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -82.49 -52.84 6.48 Favored 'General case' 0 N--CA 1.511 2.582 0 C-N-CA 129.132 2.973 . . . . 0.0 110.261 171.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.404 ' HB ' HG13 ' B' ' 42' ' ' VAL . 47.1 t -64.66 -39.11 84.47 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.999 0 N-CA-C 116.726 2.121 . . . . 0.0 116.726 177.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 16.4 m -47.13 -4.06 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.75 0 C-N-CA 128.513 2.725 . . . . 0.0 113.459 164.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -120.41 -31.84 4.24 Favored 'General case' 0 C--N 1.411 3.248 0 CA-C-O 122.547 1.165 . . . . 0.0 111.471 173.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -94.33 -40.49 9.93 Favored 'General case' 0 CA--C 1.481 -1.691 0 CA-C-O 116.064 -1.922 . . . . 0.0 109.668 -164.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.439 ' HG ' ' CD2' ' B' ' 80' ' ' TYR . 10.3 tp -56.35 -31.34 63.67 Favored 'General case' 0 C--N 1.397 2.672 0 CA-C-O 113.053 -3.356 . . . . 0.0 110.994 161.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . 0.293 88.9 mttt -74.21 -45.22 49.61 Favored 'General case' 0 N--CA 1.417 -2.104 0 CA-C-N 123.45 2.841 . . . . 0.0 113.888 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.454 HD13 ' N ' ' B' ' 63' ' ' LEU . 0.6 OUTLIER -53.0 -50.7 63.65 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 115.653 -2.118 . . . . 0.0 113.257 165.742 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.454 ' N ' HD13 ' B' ' 62' ' ' LEU . 70.3 mt -59.64 -28.91 67.64 Favored 'General case' 0 N--CA 1.504 2.267 0 CA-C-N 122.96 2.618 . . . . 0.0 112.607 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -73.3 -48.61 33.11 Favored 'General case' 0 CA--C 1.56 1.347 0 CA-C-N 111.659 -2.519 . . . . 0.0 104.966 -176.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.4 m -63.8 -32.22 73.66 Favored 'General case' 0 N--CA 1.403 -2.793 0 C-N-CA 127.091 2.156 . . . . 0.0 113.446 177.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.51 HG23 HD12 ' B' ' 68' ' ' LEU . 29.7 m -96.24 8.24 6.87 Favored 'Isoleucine or valine' 1 N--CA 1.553 4.714 0 O-C-N 116.303 -3.998 . . . . 0.0 111.329 172.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 1.5 m170 65.48 16.26 10.43 Favored 'General case' 0 N--CA 1.515 2.809 0 C-N-CA 128.935 2.894 . . . . 0.0 114.742 165.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.51 HD12 HG23 ' B' ' 66' ' ' VAL . 1.9 mp -71.67 -20.34 61.96 Favored 'General case' 0 C--O 1.267 2.013 0 O-C-N 120.225 -1.547 . . . . 0.0 111.282 156.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 t -120.51 164.14 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.53 3.541 0 C-N-CA 126.016 1.726 . . . . 0.0 115.482 173.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -147.44 155.87 42.33 Favored 'General case' 0 C--O 1.265 1.891 0 C-N-CA 124.676 1.19 . . . . 0.0 111.657 156.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . 0.622 ' HB2' ' CE2' ' B' ' 80' ' ' TYR . . . -88.94 151.04 22.55 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.622 -1.172 . . . . 0.0 112.828 165.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -135.7 164.56 27.59 Favored 'General case' 0 CA--C 1.601 2.909 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 160.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -109.82 113.49 26.27 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 106.649 -1.612 . . . . 0.0 106.649 -167.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -156.57 112.1 2.92 Favored 'General case' 0 CA--C 1.596 2.732 0 N-CA-C 104.736 -2.32 . . . . 0.0 104.736 174.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.34 -164.35 30.68 Favored Glycine 0 N--CA 1.469 0.87 0 C-N-CA 127.767 2.603 . . . . 0.0 112.343 -177.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -68.28 -13.88 62.58 Favored 'General case' 0 C--N 1.361 1.104 0 CA-C-O 115.501 -2.19 . . . . 0.0 115.818 -177.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 86.9 p -123.37 168.54 12.39 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 127.811 3.194 . . . . 0.0 109.217 -169.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 22.9 mtm -97.37 133.78 41.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 120.342 -1.474 . . . . 0.0 111.88 168.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.542 ' HA ' ' HB2' ' B' ' 41' ' ' SER . 35.1 mm -92.64 141.96 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 C-N-CA 124.615 1.166 . . . . 0.0 112.502 170.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . 0.622 ' CE2' ' HB2' ' B' ' 71' ' ' ALA . 59.6 m-85 -116.27 149.31 39.42 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -178.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 9.1 m -148.07 161.64 41.0 Favored 'General case' 0 N--CA 1.436 -1.15 0 O-C-N 126.192 2.183 . . . . 0.0 109.797 -165.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.444 HD22 ' HB2' ' B' ' 88' ' ' ALA . 7.6 mp -62.31 154.64 27.25 Favored 'General case' 0 C--N 1.361 1.099 0 O-C-N 120.292 -1.505 . . . . 0.0 113.212 159.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -70.25 -46.35 64.6 Favored 'General case' 0 N--CA 1.515 2.785 0 O-C-N 119.208 -2.182 . . . . 0.0 113.752 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 13.9 p30 -151.23 175.41 12.21 Favored 'General case' 0 CA--C 1.583 2.214 0 CA-C-O 124.763 2.22 . . . . 0.0 112.912 159.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . 0.331 1.6 pp -49.99 -13.46 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.205 1 N-CA-C 122.104 4.113 . . . . 0.0 122.104 169.973 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -66.68 -52.77 41.03 Favored 'General case' 0 N--CA 1.427 -1.583 1 O-C-N 114.336 -5.228 . . . . 0.0 109.977 -177.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.403 ' HA ' ' HB3' ' B' ' 90' ' ' MET . 3.5 m -85.84 -15.59 10.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 O-C-N 120.551 -1.343 . . . . 0.0 111.716 -176.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.444 ' HB2' HD22 ' B' ' 82' ' ' LEU . . . -66.55 -31.55 72.34 Favored 'General case' 0 C--O 1.194 -1.821 0 CA-C-O 123.343 1.544 . . . . 0.0 109.774 166.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 24.9 m -84.25 -41.45 16.9 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 114.485 -1.234 . . . . 0.0 108.728 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . 0.417 ' HG2' ' HA ' ' A' ' 90' ' ' MET . 16.9 tmm? -57.43 -46.65 83.32 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 168.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.46 HD22 ' N ' ' B' ' 33' ' ' GLU . 7.1 tt -67.13 -40.32 86.78 Favored 'General case' 0 N--CA 1.514 2.762 0 CA-C-O 117.107 -1.425 . . . . 0.0 109.17 176.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -67.36 -36.08 80.67 Favored 'General case' 0 CA--C 1.578 2.035 0 CA-C-N 122.304 2.32 . . . . 0.0 114.084 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.46 ' HA ' ' HB3' ' B' ' 96' ' ' HIS . 35.8 mm-40 -81.94 -14.61 55.84 Favored 'General case' 0 C--O 1.277 2.534 0 C-N-CA 125.38 1.472 . . . . 0.0 113.407 178.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.02 -52.93 14.61 Favored 'General case' 0 C--O 1.206 -1.217 0 CA-C-O 117.746 -1.121 . . . . 0.0 108.587 164.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -54.26 -34.39 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 CA-C-O 116.548 -1.691 . . . . 0.0 108.328 171.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . 0.46 ' HB3' ' HA ' ' B' ' 93' ' ' GLN 0.291 0.8 OUTLIER -68.62 -35.76 77.73 Favored 'General case' 0 N--CA 1.431 -1.377 0 C-N-CA 126.079 1.752 . . . . 0.0 113.808 -179.303 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -73.12 -9.54 58.83 Favored 'General case' 0 C--O 1.27 2.142 0 CA-C-O 115.306 -2.283 . . . . 0.0 115.343 163.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -100.65 6.13 43.99 Favored 'General case' 0 N--CA 1.427 -1.614 0 CA-C-N 121.914 2.143 . . . . 0.0 116.099 158.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . 0.266 58.6 t30 -134.09 71.97 1.46 Allowed 'General case' 0 CA--C 1.498 -1.022 0 CA-C-N 119.98 1.264 . . . . 0.0 109.068 -172.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 46.5 m170 -92.23 143.38 27.39 Favored Pre-proline 0 C--N 1.309 -1.166 0 C-N-CA 127.449 2.299 . . . . 0.0 114.771 -178.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -77.7 -33.74 2.17 Favored 'Trans proline' 1 CA--C 1.623 4.975 1 C-N-CA 126.21 4.607 . . . . 0.0 113.331 -171.046 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -140.28 155.83 46.7 Favored 'General case' 0 CA--C 1.493 -1.245 0 O-C-N 128.805 3.815 . . . . 0.0 109.027 153.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 C--O 1.187 -2.189 0 CA-C-O 113.323 -3.227 . . . . 0.0 115.028 -175.26 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 m120 . . . . . 0 C--O 1.205 -1.277 0 CA-C-O 122.639 1.209 . . . . 0.0 109.929 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 p -134.0 -40.2 0.85 Allowed 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 116.054 -1.927 . . . . 0.0 112.817 174.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.336 0.8 OUTLIER 63.29 -48.05 0.23 Allowed 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 128.55 2.74 . . . . 0.0 118.077 178.767 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.6 p -144.19 -27.92 0.51 Allowed 'General case' 0 C--N 1.288 -2.1 0 C-N-CA 129.392 3.077 . . . . 0.0 110.82 175.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -41.12 -28.47 0.09 Allowed 'General case' 0 N--CA 1.409 -2.514 2 O-C-N 113.881 -5.512 . . . . 0.0 115.128 -175.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.24 -14.4 59.77 Favored 'General case' 0 C--N 1.271 -2.844 1 CA-C-N 126.628 4.286 . . . . 0.0 113.192 -174.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -104.57 -5.26 21.65 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 112.386 -2.188 . . . . 0.0 112.76 166.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.8 t -83.53 -38.31 14.16 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.376 0 O-C-N 119.343 -2.098 . . . . 0.0 113.062 165.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.1 p -67.4 -22.73 65.53 Favored 'General case' 0 N--CA 1.525 3.283 0 O-C-N 117.891 -3.006 . . . . 0.0 108.376 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -66.82 -14.89 63.18 Favored 'General case' 0 C--O 1.254 1.318 0 C-N-CA 128.829 2.852 . . . . 0.0 111.47 172.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.33 0.6 OUTLIER -110.24 19.1 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.621 0 CA-C-N 124.917 3.508 . . . . 0.0 109.002 175.782 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -119.85 -34.96 3.61 Favored 'General case' 0 C--N 1.365 1.241 0 C-N-CA 127.838 2.455 . . . . 0.0 112.349 170.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -42.48 46.14 0.0 OUTLIER 'General case' 0 CA--C 1.588 2.427 0 C-N-CA 129.239 3.016 . . . . 0.0 112.394 141.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . 0.263 . . -177.11 -34.75 0.01 OUTLIER 'General case' 1 N--CA 1.54 4.029 0 C-N-CA 128.984 2.914 . . . . 0.0 111.988 -173.843 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.1 mt -81.2 -117.47 0.02 OUTLIER 'General case' 0 N--CA 1.422 -1.839 0 C-N-CA 126.803 2.041 . . . . 0.0 114.316 -176.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 42.81 -0.31 0.01 OUTLIER Glycine 0 N--CA 1.513 3.771 1 CA-C-O 112.273 -4.626 . . . . 0.0 122.435 -175.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -134.26 170.65 15.39 Favored 'General case' 0 CA--C 1.58 2.111 1 CA-C-N 125.26 4.53 . . . . 0.0 109.674 -169.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -95.26 -83.87 0.35 Allowed 'General case' 0 C--O 1.198 -1.607 0 O-C-N 119.483 -2.01 . . . . 0.0 109.186 -166.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -59.64 -43.25 93.95 Favored 'General case' 0 C--O 1.287 3.036 0 O-C-N 118.708 -2.495 . . . . 0.0 110.443 -166.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -30.34 -47.29 0.08 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 126.564 2.415 . . . . 0.0 113.682 162.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.3 pt -106.57 -6.01 10.2 Favored 'Isoleucine or valine' 0 C--O 1.276 2.478 1 O-C-N 115.655 -4.403 . . . . 0.0 109.874 -178.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.7 ttp85 -60.47 -22.9 64.02 Favored 'General case' 0 C--N 1.371 1.513 0 N-CA-C 115.467 1.655 . . . . 0.0 115.467 156.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.8 mt -64.72 -51.62 64.92 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.713 1 C-N-CA 132.463 4.305 . . . . 0.0 107.044 164.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 79.0 mtp -85.62 -41.28 15.36 Favored 'General case' 0 CA--C 1.575 1.911 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.127 -156.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.5 ' HA ' HD22 ' A' ' 91' ' ' LEU . 3.9 tm-20 -24.56 -58.85 0.05 Allowed 'General case' 0 C--N 1.394 2.539 0 C-N-CA 128.96 2.904 . . . . 0.0 110.463 144.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.482 ' HG ' HD11 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -71.32 -40.85 70.53 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 117.87 -3.018 . . . . 0.0 110.052 -173.012 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.439 ' N ' HD13 ' A' ' 34' ' ' LEU 0.252 79.9 mt -73.26 -21.91 60.51 Favored 'General case' 0 C--O 1.188 -2.134 0 O-C-N 120.041 -1.662 . . . . 0.0 113.817 -179.51 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.385 7.5 m -64.64 -4.01 3.75 Favored 'General case' 0 C--N 1.284 -2.244 1 C-N-CA 133.597 4.759 . . . . 0.0 114.211 167.212 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.0 m -128.01 -42.97 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.376 1.745 0 C-N-CA 127.426 2.29 . . . . 0.0 115.509 157.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.1 m -145.5 89.49 1.93 Allowed 'General case' 0 C--N 1.274 -2.691 0 N-CA-C 117.278 2.325 . . . . 0.0 117.278 -166.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -72.49 132.51 43.94 Favored 'General case' 0 N--CA 1.521 3.094 0 N-CA-C 116.814 2.153 . . . . 0.0 116.814 -169.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.8 -174.16 3.7 Favored 'General case' 0 N--CA 1.51 2.555 0 O-C-N 118.926 -2.359 . . . . 0.0 113.601 -169.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 t -109.57 149.7 29.26 Favored 'General case' 0 C--O 1.214 -0.809 1 C-N-CA 132.183 4.193 . . . . 0.0 112.674 166.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.6 t -11.58 -53.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 C-N-CA 130.625 3.57 . . . . 0.0 113.47 168.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.38 -28.73 18.92 Favored Glycine 0 N--CA 1.497 2.737 0 CA-C-N 120.286 1.403 . . . . 0.0 113.671 -164.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -81.25 -34.95 31.79 Favored 'General case' 0 C--O 1.2 -1.552 0 O-C-N 117.4 -3.412 . . . . 0.0 105.972 170.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.9 mt -52.41 -60.58 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.529 3.476 0 O-C-N 125.14 1.525 . . . . 0.0 108.659 167.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.9 m -62.49 -13.13 27.07 Favored 'General case' 0 C--O 1.279 2.626 0 N-CA-C 116.658 2.095 . . . . 0.0 116.658 -173.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -92.33 -54.89 3.62 Favored 'General case' 0 N--CA 1.426 -1.672 0 C-N-CA 128.946 2.898 . . . . 0.0 112.08 174.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -74.96 -16.75 60.63 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 115.746 -2.074 . . . . 0.0 112.905 -176.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.482 HD11 ' HG ' ' A' ' 34' ' ' LEU . 5.3 mp -104.92 -7.35 19.38 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 114.8 -2.524 . . . . 0.0 116.621 169.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.285 32.6 m120 63.21 50.3 3.05 Favored 'General case' 0 C--N 1.294 -1.846 0 C-N-CA 130.694 3.598 . . . . 0.0 111.907 175.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 48.4 mt -104.38 -122.06 0.21 Allowed 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 103.691 -2.707 . . . . 0.0 103.691 -173.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.2 p -167.61 151.41 6.37 Favored 'General case' 0 C--O 1.263 1.793 0 CA-C-N 122.099 2.227 . . . . 0.0 106.578 -177.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -60.13 -42.85 95.69 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 115.02 -2.419 . . . . 0.0 112.332 -168.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.7 m -69.42 -35.12 75.42 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-N 122.989 2.631 . . . . 0.0 111.775 -171.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -71.43 -43.9 65.87 Favored 'General case' 0 CA--C 1.557 1.215 0 CA-C-O 124.888 2.28 . . . . 0.0 112.707 -166.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . 0.251 60.7 t -72.09 -39.84 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.417 0 O-C-N 117.851 -3.03 . . . . 0.0 109.94 174.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.3 m -57.7 1.64 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 119.23 -2.169 . . . . 0.0 113.974 168.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -121.64 -35.47 3.22 Favored 'General case' 0 N--CA 1.508 2.442 0 O-C-N 119.145 -2.222 . . . . 0.0 112.562 169.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -82.74 -40.69 20.2 Favored 'General case' 0 C--N 1.395 2.576 0 O-C-N 120.278 -1.514 . . . . 0.0 109.779 -176.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.425 HD21 ' CD1' ' A' ' 80' ' ' TYR . 9.4 tp -55.32 -46.86 76.28 Favored 'General case' 0 C--O 1.194 -1.832 0 CA-C-O 116.282 -1.818 . . . . 0.0 111.911 169.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -64.07 -43.11 96.44 Favored 'General case' 0 C--N 1.369 1.428 1 C-N-CA 131.778 4.031 . . . . 0.0 109.871 -178.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.14 -62.91 1.35 Allowed 'General case' 0 C--O 1.205 -1.244 0 CA-C-O 117.609 -1.186 . . . . 0.0 108.966 165.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.436 ' HA ' HG22 ' A' ' 66' ' ' VAL . 27.6 mt -52.17 -42.79 63.74 Favored 'General case' 0 N--CA 1.502 2.156 0 CA-C-N 123.204 2.729 . . . . 0.0 112.733 -173.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -53.64 -58.5 6.96 Favored 'General case' 0 N--CA 1.501 2.123 1 CA-C-N 106.735 -4.757 . . . . 0.0 105.444 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.3 m -69.64 -7.53 39.74 Favored 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 127.525 2.33 . . . . 0.0 112.665 -174.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' ' 63' ' ' LEU 0.343 16.4 m -108.39 8.55 9.27 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.214 0 CA-C-O 113.772 -3.013 . . . . 0.0 115.96 178.564 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.374 8.9 p80 65.46 18.68 11.38 Favored 'General case' 0 CA--C 1.565 1.534 0 O-C-N 127.686 3.116 . . . . 0.0 118.003 176.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 mp -99.44 -16.69 18.27 Favored 'General case' 0 CA--C 1.605 3.067 0 CA-C-N 120.279 1.4 . . . . 0.0 110.367 168.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 t -119.97 160.23 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 128.925 2.89 . . . . 0.0 108.438 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -160.46 127.89 4.42 Favored 'General case' 0 CA--C 1.56 1.343 0 CA-C-O 122.395 1.093 . . . . 0.0 111.837 173.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.46 146.54 48.55 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 126.141 2.877 . . . . 0.0 109.578 170.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -130.95 151.94 50.81 Favored 'General case' 0 C--N 1.382 1.995 0 CA-C-N 111.073 -2.785 . . . . 0.0 106.439 158.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -84.64 117.75 23.96 Favored 'General case' 0 C--O 1.194 -1.849 0 CA-C-O 115.396 -2.24 . . . . 0.0 110.098 170.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -132.23 125.29 30.76 Favored 'General case' 0 N--CA 1.423 -1.82 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 171.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 43.01 -135.47 4.43 Favored Glycine 0 N--CA 1.405 -3.378 0 C-N-CA 125.761 1.648 . . . . 0.0 116.987 -156.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -70.56 7.39 1.09 Allowed 'General case' 0 N--CA 1.518 2.94 0 N-CA-C 119.327 3.084 . . . . 0.0 119.327 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.1 m -139.15 160.11 40.58 Favored 'General case' 0 C--O 1.191 -1.978 0 CA-C-O 116.559 -1.686 . . . . 0.0 113.259 -159.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 19.7 mmt -96.67 127.5 42.72 Favored 'General case' 0 N--CA 1.402 -2.859 0 CA-C-O 122.475 1.131 . . . . 0.0 111.059 162.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.7 mm -102.83 126.26 57.08 Favored 'Isoleucine or valine' 0 C--O 1.26 1.611 0 C-N-CA 129.789 3.235 . . . . 0.0 108.852 175.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.425 ' CD1' HD21 ' A' ' 60' ' ' LEU . 73.3 m-85 -108.04 132.41 53.57 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 126.329 1.852 . . . . 0.0 109.251 -173.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.1 m -144.06 173.96 11.28 Favored 'General case' 0 C--N 1.286 -2.157 0 CA-C-N 112.195 -2.275 . . . . 0.0 107.101 -175.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.04 150.46 45.32 Favored 'General case' 0 C--N 1.38 1.904 1 CA-C-O 128.634 4.064 . . . . 0.0 113.442 165.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -54.6 -40.35 68.76 Favored 'General case' 0 N--CA 1.412 -2.372 0 O-C-N 118.308 -2.745 . . . . 0.0 117.422 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.6 p30 -165.95 -179.93 5.5 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 129.074 2.95 . . . . 0.0 112.051 172.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.6 tp -65.46 -17.75 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.396 -3.157 0 CA-C-N 111.921 -2.399 . . . . 0.0 113.545 -170.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -71.38 -47.03 58.77 Favored 'General case' 0 CA--C 1.454 -2.741 0 O-C-N 120.987 -1.071 . . . . 0.0 111.607 173.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . 0.347 1.6 p -77.14 -34.12 21.11 Favored 'Isoleucine or valine' 0 C--O 1.26 1.611 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -177.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . 0.279 . . -59.31 -38.57 80.61 Favored 'General case' 0 C--O 1.19 -2.065 0 C-N-CA 123.876 0.87 . . . . 0.0 112.389 162.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 68.0 m -70.46 -34.75 72.77 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 175.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.2 ttt -61.15 -51.78 67.63 Favored 'General case' 0 C--O 1.263 1.777 0 C-N-CA 125.534 1.534 . . . . 0.0 111.614 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.5 HD22 ' HA ' ' A' ' 33' ' ' GLU . 4.5 tt -75.63 -42.06 52.59 Favored 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 114.268 -1.333 . . . . 0.0 111.774 -178.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . 0.302 17.2 tttp -57.79 -41.53 82.3 Favored 'General case' 0 N--CA 1.508 2.442 0 C-N-CA 124.241 1.017 . . . . 0.0 110.187 175.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -77.24 -16.68 58.93 Favored 'General case' 0 N--CA 1.504 2.264 0 CA-C-N 121.272 1.851 . . . . 0.0 114.333 175.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -78.58 -41.92 30.55 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 118.913 -1.115 . . . . 0.0 109.679 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.448 ' HA ' HD12 ' A' ' 95' ' ' ILE . 0.3 OUTLIER -57.05 -9.56 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.516 2.843 0 O-C-N 126.953 2.658 . . . . 0.0 110.958 170.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -113.13 7.33 17.91 Favored 'General case' 0 N--CA 1.422 -1.832 0 C-N-CA 129.984 3.314 . . . . 0.0 118.131 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -115.23 -8.63 12.33 Favored 'General case' 0 C--O 1.188 -2.137 0 CA-C-O 116.212 -1.852 . . . . 0.0 113.898 158.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . 0.439 . . -55.84 -37.64 68.99 Favored 'General case' 0 C--O 1.262 1.738 0 O-C-N 127.601 3.063 . . . . 0.0 118.02 169.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.691 HD21 HG22 ' B' ' 12' ' ' THR . 5.9 p30 -135.23 166.15 23.76 Favored 'General case' 0 C--N 1.292 -1.92 0 C-N-CA 129.687 3.195 . . . . 0.0 109.803 170.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -147.69 62.28 6.82 Favored Pre-proline 0 CA--C 1.574 1.884 0 O-C-N 125.853 1.971 . . . . 0.0 108.86 174.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -77.96 171.47 17.17 Favored 'Trans proline' 0 CA--C 1.563 1.972 1 C-N-CA 125.51 4.14 . . . . 0.0 112.377 -165.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -120.36 175.06 6.15 Favored 'General case' 0 N--CA 1.516 2.84 0 O-C-N 125.08 1.487 . . . . 0.0 108.897 176.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 N--CA 1.496 1.828 0 CA-C-O 115.197 -2.335 . . . . 0.0 113.211 -165.173 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 6.5 m120 . . . . . 0 CA--C 1.506 -0.744 0 CA-C-O 125.203 2.43 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 56.7 p -147.02 -23.7 0.4 Allowed 'General case' 0 C--O 1.265 1.898 0 CA-C-N 112.025 -2.352 . . . . 0.0 114.214 -172.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 51.24 -5.71 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.121 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 -162.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.691 HG22 HD21 ' A' ' 99' ' ' ASN . 28.5 p -134.53 -78.13 0.46 Allowed 'General case' 0 CA--C 1.591 2.551 1 O-C-N 115.18 -4.7 . . . . 0.0 109.758 -160.03 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.68 -44.88 18.98 Favored 'General case' 0 CA--C 1.469 -2.168 1 CA-C-O 111.17 -4.252 . . . . 0.0 113.294 169.861 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -82.2 4.03 25.02 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 123.566 2.894 . . . . 0.0 109.323 -171.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -123.59 -8.41 7.97 Favored 'General case' 0 C--O 1.267 1.995 0 C-N-CA 130.179 3.391 . . . . 0.0 114.168 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.581 HG12 HD12 ' B' ' 19' ' ' ILE 0.443 6.2 m -100.65 -16.23 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.341 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 164.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . 0.319 0.9 OUTLIER -56.38 -43.63 79.41 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 118.249 -1.381 . . . . 0.0 107.7 168.529 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -45.54 -39.0 6.94 Favored 'General case' 0 N--CA 1.534 3.759 0 CA-C-N 112.982 -1.917 . . . . 0.0 112.649 168.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.581 HD12 HG12 ' B' ' 16' ' ' VAL . 22.1 mt -88.83 -55.93 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.147 0 CA-C-O 124.943 2.306 . . . . 0.0 115.177 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -66.04 -6.46 13.02 Favored 'General case' 0 C--O 1.202 -1.427 0 C-N-CA 127.59 2.356 . . . . 0.0 115.434 -169.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -99.37 -23.18 15.24 Favored 'General case' 0 N--CA 1.517 2.92 0 N-CA-C 116.527 2.047 . . . . 0.0 116.527 160.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.75 -11.51 47.91 Favored 'General case' 0 C--O 1.249 1.042 0 CA-C-N 120.007 1.276 . . . . 0.0 112.102 -171.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 62.3 mt -63.76 -20.99 66.19 Favored 'General case' 0 CA--C 1.594 2.646 0 C-N-CA 128.904 2.882 . . . . 0.0 113.937 168.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.9 37.36 0.09 OUTLIER Glycine 0 C--O 1.169 -3.922 0 N-CA-C 121.384 3.313 . . . . 0.0 121.384 -172.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -149.47 122.07 8.58 Favored 'General case' 0 C--O 1.251 1.158 0 CA-C-O 117.663 -1.16 . . . . 0.0 107.985 171.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . 0.274 1.1 p90 -52.37 -38.8 59.72 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 124.563 1.164 . . . . 0.0 113.079 -170.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -55.32 -47.9 74.94 Favored 'General case' 0 C--O 1.275 2.418 0 CA-C-N 112.251 -2.249 . . . . 0.0 114.442 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -53.11 -41.43 64.99 Favored 'General case' 0 C--O 1.186 -2.267 0 C-N-CA 129.742 3.217 . . . . 0.0 111.045 175.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 43.0 mm -83.57 -41.54 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.561 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 -168.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -56.42 -30.71 63.13 Favored 'General case' 0 C--N 1.357 0.92 0 N-CA-C 116.118 1.896 . . . . 0.0 116.118 165.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.472 HG12 HD13 ' B' ' 49' ' ' LEU . 32.7 mt -71.08 -48.4 55.6 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.798 0 O-C-N 124.398 1.061 . . . . 0.0 109.287 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . 0.41 ' HB2' ' CD1' ' B' ' 91' ' ' LEU . 60.2 mtm -90.95 -36.93 13.82 Favored 'General case' 0 CA--C 1.559 1.295 0 O-C-N 119.314 -2.116 . . . . 0.0 116.173 -174.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -35.16 -41.67 0.16 Allowed 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 112.576 -3.583 . . . . 0.0 110.919 141.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.549 HD13 ' N ' ' B' ' 35' ' ' LEU 0.384 0.4 OUTLIER -75.03 -52.35 11.29 Favored 'General case' 0 CA--C 1.629 3.987 0 CA-C-O 127.943 3.735 . . . . 0.0 117.641 177.074 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.549 ' N ' HD13 ' B' ' 34' ' ' LEU . 58.5 mt -65.31 -27.59 68.72 Favored 'General case' 0 CA--C 1.556 1.184 0 O-C-N 118.675 -2.515 . . . . 0.0 109.801 -169.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . 0.451 ' OG ' ' HE2' ' B' ' 92' ' ' LYS . 57.2 p -62.75 -0.73 0.69 Allowed 'General case' 0 N--CA 1.51 2.559 0 CA-C-N 111.529 -2.578 . . . . 0.0 117.728 170.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 m -134.97 -33.33 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 CA-C-N 112.836 -1.983 . . . . 0.0 111.46 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 10.6 t -157.18 120.49 4.1 Favored 'General case' 0 CA--C 1.575 1.909 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 167.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . 0.267 56.4 mt-10 -68.03 146.16 53.78 Favored 'General case' 0 N--CA 1.505 2.321 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -169.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -156.76 135.47 11.63 Favored 'General case' 0 CA--C 1.573 1.859 0 O-C-N 124.766 1.291 . . . . 0.0 111.56 -175.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.421 ' HB2' ' HA ' ' B' ' 79' ' ' ILE . 35.1 t -94.51 156.3 16.52 Favored 'General case' 0 CA--C 1.567 1.623 0 C-N-CA 128.013 2.525 . . . . 0.0 110.964 175.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.431 HG22 HG12 ' B' ' 56' ' ' VAL 0.326 37.1 t -9.82 -72.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.397 2.667 0 N-CA-C 118.446 2.758 . . . . 0.0 118.446 178.173 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.98 -30.99 76.78 Favored Glycine 0 N--CA 1.478 1.475 0 O-C-N 125.984 2.052 . . . . 0.0 114.596 -170.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -81.22 -43.17 19.65 Favored 'General case' 0 CA--C 1.569 1.687 0 C-N-CA 125.977 1.711 . . . . 0.0 110.794 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.418 HD13 HG21 ' B' ' 45' ' ' ILE . 96.2 mt -50.53 -51.38 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.026 0 CA-C-O 114.327 -2.749 . . . . 0.0 111.075 161.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 16.1 m -51.78 -38.33 55.09 Favored 'General case' 0 CA--C 1.581 2.148 0 C-N-CA 127.959 2.504 . . . . 0.0 109.56 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -70.82 -49.95 40.81 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 114.73 -2.557 . . . . 0.0 111.53 174.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -80.39 -20.48 43.9 Favored 'General case' 0 C--O 1.167 -3.247 0 O-C-N 128.085 3.365 . . . . 0.0 117.909 -169.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.472 HD13 HG12 ' B' ' 31' ' ' ILE . 4.1 mt -111.27 -0.12 16.53 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 112.898 -1.955 . . . . 0.0 113.952 -178.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 15.6 m120 54.14 43.06 31.22 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 130.38 3.472 . . . . 0.0 113.079 -175.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 mt -106.4 158.47 16.87 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 118.029 -2.919 . . . . 0.0 108.461 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 1.9 p -79.27 148.8 32.03 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 120.244 3.424 . . . . 0.0 120.244 171.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -55.75 -31.86 62.92 Favored 'General case' 0 C--N 1.375 1.677 0 CA-C-O 124.126 1.917 . . . . 0.0 110.356 -177.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 53.3 m -74.07 -46.44 43.07 Favored 'General case' 0 C--O 1.269 2.114 0 O-C-N 117.596 -3.19 . . . . 0.0 110.682 -174.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -69.48 -36.69 76.79 Favored 'General case' 0 N--CA 1.521 3.078 0 O-C-N 126.826 2.579 . . . . 0.0 111.771 175.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.431 HG12 HG22 ' B' ' 42' ' ' VAL . 65.9 t -75.27 -46.41 38.64 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.96 0 O-C-N 117.434 -3.291 . . . . 0.0 109.791 177.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.6 m -43.55 -15.41 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 118.429 2.751 . . . . 0.0 118.429 163.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -100.6 -44.39 5.86 Favored 'General case' 0 CA--C 1.508 -0.659 0 C-N-CA 129.329 3.052 . . . . 0.0 113.313 167.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -86.43 -35.91 19.41 Favored 'General case' 0 N--CA 1.409 -2.496 0 CA-C-N 121.655 2.025 . . . . 0.0 115.736 -164.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' B' ' 60' ' ' LEU . 12.5 tp -56.64 -45.04 81.82 Favored 'General case' 0 CA--C 1.595 2.695 0 C-N-CA 126.482 1.913 . . . . 0.0 107.907 167.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . 0.275 32.4 mttt -70.05 -40.93 74.8 Favored 'General case' 0 N--CA 1.512 2.633 0 C-N-CA 128.395 2.678 . . . . 0.0 109.963 -175.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -50.51 -55.11 17.51 Favored 'General case' 0 C--O 1.284 2.896 0 CA-C-O 123.477 1.608 . . . . 0.0 112.856 163.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.83 -34.85 77.53 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 117.359 -3.338 . . . . 0.0 114.256 -165.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -47.51 -51.54 20.28 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 126.194 2.902 . . . . 0.0 108.476 170.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 13.0 m -75.61 -2.09 27.62 Favored 'General case' 0 C--O 1.254 1.32 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 -178.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . 0.376 27.4 m -112.21 15.92 8.17 Favored 'Isoleucine or valine' 0 C--O 1.272 2.255 0 O-C-N 120.267 -1.521 . . . . 0.0 114.136 162.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 7.2 m80 46.96 22.17 0.19 Allowed 'General case' 0 CA--C 1.571 1.774 0 C-N-CA 127.204 2.202 . . . . 0.0 114.913 -178.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 mp -69.69 -22.22 63.44 Favored 'General case' 0 N--CA 1.508 2.445 0 O-C-N 116.419 -3.925 . . . . 0.0 106.794 161.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.0 t -133.25 153.75 37.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 C-N-CA 130.999 3.72 . . . . 0.0 114.377 -167.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -149.54 146.13 27.2 Favored 'General case' 0 N--CA 1.422 -1.849 1 CA-C-O 128.857 4.17 . . . . 0.0 107.783 170.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . 0.551 ' HB2' ' CE2' ' B' ' 80' ' ' TYR . . . -91.78 144.21 25.74 Favored 'General case' 0 C--O 1.269 2.116 0 CA-C-N 108.771 -3.831 . . . . 0.0 112.952 164.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -123.91 131.38 53.57 Favored 'General case' 0 N--CA 1.51 2.54 0 C-N-CA 129.541 3.136 . . . . 0.0 108.113 170.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -86.67 118.07 25.85 Favored 'General case' 0 CA--C 1.564 1.502 0 CA-C-N 110.741 -2.936 . . . . 0.0 107.831 -173.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -135.94 104.9 5.88 Favored 'General case' 0 C--N 1.39 2.333 0 O-C-N 125.337 1.648 . . . . 0.0 110.95 -177.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.06 -104.28 3.07 Favored Glycine 0 C--O 1.254 1.398 0 O-C-N 116.638 -3.789 . . . . 0.0 111.783 164.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . 0.297 30.3 mt-30 -119.93 7.19 10.89 Favored 'General case' 0 N--CA 1.51 2.574 0 C-N-CA 125.599 1.559 . . . . 0.0 107.905 168.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 65.5 p -136.55 -174.57 3.74 Favored 'General case' 0 C--O 1.216 -0.668 1 CA-C-N 126.205 4.093 . . . . 0.0 120.057 173.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 45.0 mtm -113.64 125.74 54.48 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 118.5 -2.625 . . . . 0.0 109.921 165.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.421 ' HA ' ' HB2' ' B' ' 41' ' ' SER . 27.2 mm -85.98 140.34 16.04 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.87 0 O-C-N 127.575 3.047 . . . . 0.0 106.052 166.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . 0.551 ' CE2' ' HB2' ' B' ' 71' ' ' ALA . 37.6 m-85 -119.6 143.02 47.88 Favored 'General case' 0 N--CA 1.416 -2.132 0 CA-C-O 122.201 1.0 . . . . 0.0 112.959 -173.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 74.5 m -132.14 166.12 22.52 Favored 'General case' 0 C--O 1.284 2.902 1 C-N-CA 133.004 4.521 . . . . 0.0 109.108 -170.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.08 149.24 37.73 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 119.643 3.201 . . . . 0.0 119.643 143.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -72.18 -55.84 6.57 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-N 121.604 2.002 . . . . 0.0 110.565 -168.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -140.95 -170.48 3.05 Favored 'General case' 0 CA--C 1.493 -1.22 0 CA-C-O 123.631 1.681 . . . . 0.0 112.87 156.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -17.48 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.349 0 N-CA-C 117.35 2.352 . . . . 0.0 117.35 -176.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -64.84 -55.22 20.82 Favored 'General case' 0 N--CA 1.517 2.916 0 C-N-CA 129.089 2.955 . . . . 0.0 108.129 -177.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 m -88.12 -19.82 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -167.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.27 -24.8 66.63 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 118.108 2.632 . . . . 0.0 118.108 159.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 44.7 m -82.95 -52.23 6.87 Favored 'General case' 0 N--CA 1.502 2.165 0 N-CA-C 100.625 -3.843 . . . . 0.0 100.625 177.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 12.9 tmm? -52.81 -55.23 24.47 Favored 'General case' 0 C--O 1.17 -3.094 0 CA-C-N 119.882 1.219 . . . . 0.0 113.365 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.41 ' CD1' ' HB2' ' B' ' 32' ' ' MET . 6.3 tt -57.95 -44.24 86.85 Favored 'General case' 0 C--O 1.192 -1.942 0 CA-C-O 114.535 -2.65 . . . . 0.0 115.83 175.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.451 ' HE2' ' OG ' ' B' ' 36' ' ' SER . 72.3 mttt -67.99 -33.91 75.52 Favored 'General case' 0 C--N 1.373 1.595 0 CA-C-N 122.164 2.256 . . . . 0.0 108.69 -178.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -71.67 -15.6 62.23 Favored 'General case' 1 N--CA 1.547 4.42 0 C-N-CA 129.038 2.935 . . . . 0.0 110.282 174.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.06 -33.89 19.36 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-O 122.46 1.124 . . . . 0.0 114.028 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 3.6 mm -59.26 -48.63 86.3 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 C-N-CA 126.108 1.763 . . . . 0.0 114.256 157.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -75.53 -25.61 57.35 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 119.519 -1.988 . . . . 0.0 114.729 -172.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -67.03 -7.76 25.14 Favored 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 162.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -102.55 -27.63 12.65 Favored 'General case' 0 CA--C 1.588 2.429 0 O-C-N 116.908 -3.62 . . . . 0.0 111.861 173.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -111.91 86.97 2.45 Favored 'General case' 0 N--CA 1.506 2.328 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 166.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -79.25 155.51 76.88 Favored Pre-proline 0 CA--C 1.549 0.917 0 O-C-N 124.573 1.17 . . . . 0.0 113.75 162.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -42.8 -39.12 7.23 Favored 'Trans proline' 0 CA--C 1.568 2.201 0 C-N-CA 125.091 3.861 . . . . 0.0 116.736 172.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -134.58 171.0 14.94 Favored 'General case' 0 CA--C 1.589 2.467 0 O-C-N 116.879 -3.638 . . . . 0.0 109.644 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . 0.311 27.8 mt-10 . . . . . 0 C--O 1.255 1.368 0 N-CA-C 115.527 1.676 . . . . 0.0 115.527 170.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.2 m120 . . . . . 0 N--CA 1.426 -1.664 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.1 p -134.74 -31.55 1.04 Allowed 'General case' 0 N--CA 1.513 2.697 0 O-C-N 126.374 2.296 . . . . 0.0 114.899 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.25 9.2 m-20 61.25 -55.27 0.1 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.197 2.199 . . . . 0.0 110.677 176.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.8 p -132.79 -22.99 2.06 Favored 'General case' 0 C--N 1.288 -2.09 0 C-N-CA 128.468 2.707 . . . . 0.0 112.785 -171.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.07 -28.26 63.21 Favored 'General case' 0 N--CA 1.51 2.569 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -164.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -67.51 -21.01 65.51 Favored 'General case' 0 C--N 1.374 1.662 0 O-C-N 116.615 -3.803 . . . . 0.0 112.617 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.276 15.2 ttm180 -100.63 -1.83 34.3 Favored 'General case' 0 N--CA 1.512 2.646 0 N-CA-C 120.331 3.456 . . . . 0.0 120.331 166.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.476 HG12 ' CZ ' ' A' ' 20' ' ' PHE . 2.4 t -82.88 -42.03 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.324 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 156.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.1 p -63.35 -25.2 68.18 Favored 'General case' 0 C--N 1.381 1.976 1 O-C-N 115.663 -4.398 . . . . 0.0 118.3 171.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -56.38 -29.67 61.73 Favored 'General case' 0 CA--C 1.582 2.189 0 C-N-CA 127.486 2.314 . . . . 0.0 112.608 165.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.9 pp -104.38 5.64 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.535 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.386 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.476 ' CZ ' HG12 ' A' ' 16' ' ' VAL . 11.7 m-85 -92.54 -33.99 14.24 Favored 'General case' 0 C--N 1.363 1.193 0 N-CA-C 119.967 3.321 . . . . 0.0 119.967 151.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -64.28 52.25 0.02 OUTLIER 'General case' 0 C--O 1.286 2.983 0 C-N-CA 128.259 2.624 . . . . 0.0 111.399 153.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.452 ' H ' ' C ' ' A' ' 20' ' ' PHE . . . -167.87 -30.7 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 CA-C-N 110.084 -3.234 . . . . 0.0 108.715 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.3 mt -82.23 -129.14 0.02 OUTLIER 'General case' 0 CA--C 1.59 2.484 0 C-N-CA 126.271 1.828 . . . . 0.0 111.229 176.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 57.99 13.69 14.81 Favored Glycine 0 CA--C 1.561 2.949 0 C-N-CA 128.301 2.858 . . . . 0.0 120.165 177.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -142.55 165.81 26.38 Favored 'General case' 0 C--O 1.268 2.056 0 O-C-N 119.722 -2.046 . . . . 0.0 111.066 175.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -80.21 -83.25 0.1 Allowed 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 118.355 2.724 . . . . 0.0 118.355 -176.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -55.68 -45.41 77.77 Favored 'General case' 0 C--O 1.263 1.791 0 O-C-N 118.727 -2.483 . . . . 0.0 106.285 -172.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -39.66 -23.78 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.761 0 C-N-CA 128.366 2.666 . . . . 0.0 113.718 170.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.51 HD11 HG23 ' B' ' 16' ' ' VAL 0.42 0.7 OUTLIER -114.0 -11.71 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.24 0 CA-C-O 113.265 -3.255 . . . . 0.0 119.174 170.456 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.2 ttp85 -67.7 -23.14 65.25 Favored 'General case' 0 CA--C 1.481 -1.675 0 C-N-CA 127.998 2.519 . . . . 0.0 111.153 157.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.0 mt -62.14 -57.15 13.38 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.831 0 CA-C-N 119.688 1.131 . . . . 0.0 111.344 164.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.425 ' CB ' HD13 ' A' ' 91' ' ' LEU . 61.2 mtp -81.18 -39.72 25.02 Favored 'General case' 0 C--O 1.185 -2.32 1 CA-C-O 111.236 -4.221 . . . . 0.0 109.638 -156.128 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.443 ' HG3' HD23 ' B' ' 13' ' ' LEU . 0.0 OUTLIER -10.54 -59.98 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.908 0 N-CA-C 120.75 3.611 . . . . 0.0 120.75 135.282 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.438 HD13 ' C ' ' A' ' 34' ' ' LEU 0.257 1.2 tm? -78.73 -55.25 5.32 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 117.824 -3.047 . . . . 0.0 109.245 -170.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.3 mt -45.44 -27.99 0.81 Allowed 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 127.582 2.353 . . . . 0.0 115.758 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.3 m -83.08 -10.9 58.46 Favored 'General case' 0 CA--C 1.587 2.367 0 C-N-CA 128.022 2.529 . . . . 0.0 111.223 -175.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.7 m -128.55 -29.82 0.87 Allowed 'Isoleucine or valine' 0 C--O 1.186 -2.253 0 C-N-CA 127.204 2.202 . . . . 0.0 113.073 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.9 m -154.66 101.87 2.35 Favored 'General case' 0 CA--C 1.594 2.659 0 O-C-N 119.511 -1.993 . . . . 0.0 114.561 159.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -32.6 124.69 0.33 Allowed 'General case' 0 N--CA 1.533 3.7 0 C-N-CA 129.819 3.247 . . . . 0.0 111.059 172.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -135.69 144.71 46.12 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 112.192 -2.276 . . . . 0.0 113.455 173.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.6 t -102.32 161.38 13.75 Favored 'General case' 0 N--CA 1.516 2.85 0 O-C-N 118.372 -2.705 . . . . 0.0 107.985 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.418 HG23 HD23 ' A' ' 60' ' ' LEU . 55.5 t -20.88 -66.85 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.521 3.075 0 CA-C-O 113.855 -2.974 . . . . 0.0 113.923 174.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.63 -42.33 95.53 Favored Glycine 0 C--O 1.272 2.488 1 O-C-N 129.679 4.362 . . . . 0.0 111.415 -169.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -74.76 -27.31 60.29 Favored 'General case' 0 C--N 1.386 2.188 0 CA-C-O 116.31 -1.805 . . . . 0.0 111.62 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.51 HG23 HD13 ' A' ' 49' ' ' LEU . 69.0 mt -63.0 -56.42 17.57 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.389 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 174.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 m -43.04 -42.4 3.87 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.293 -1.504 . . . . 0.0 113.847 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -67.03 -68.55 0.37 Allowed 'General case' 0 C--O 1.268 2.043 0 O-C-N 124.674 1.234 . . . . 0.0 113.142 167.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -67.02 -22.7 65.88 Favored 'General case' 0 N--CA 1.516 2.862 0 O-C-N 118.901 -2.374 . . . . 0.0 109.635 -163.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.51 HD13 HG23 ' A' ' 45' ' ' ILE . 5.2 mp -109.08 5.15 23.81 Favored 'General case' 0 N--CA 1.393 -3.314 0 CA-C-N 121.9 2.136 . . . . 0.0 111.564 178.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.264 5.6 m120 44.6 55.25 5.95 Favored 'General case' 0 CA--C 1.61 3.255 0 O-C-N 125.299 1.624 . . . . 0.0 112.627 -168.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.318 58.4 mt -99.08 -137.04 0.3 Allowed 'General case' 0 CA--C 1.576 1.972 0 O-C-N 126.259 2.225 . . . . 0.0 113.206 168.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.7 p -169.65 155.51 6.02 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 118.637 -2.54 . . . . 0.0 114.43 -175.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -62.86 -55.82 22.79 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 116.435 2.013 . . . . 0.0 116.435 -169.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.7 m -69.88 -26.59 64.26 Favored 'General case' 0 N--CA 1.524 3.236 0 CA-C-N 120.716 1.598 . . . . 0.0 114.217 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -63.8 -58.56 6.45 Favored 'General case' 0 N--CA 1.421 -1.897 0 C-N-CA 126.715 2.006 . . . . 0.0 107.979 169.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.1 t -71.66 -34.72 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.397 0 O-C-N 119.591 -1.943 . . . . 0.0 114.715 -169.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.79 8.31 0.06 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 164.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -117.82 -34.52 4.17 Favored 'General case' 0 N--CA 1.426 -1.632 0 CA-C-O 112.346 -3.692 . . . . 0.0 116.119 165.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -99.67 -29.98 12.36 Favored 'General case' 0 CA--C 1.485 -1.553 0 O-C-N 126.221 2.201 . . . . 0.0 115.19 -173.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.451 HD21 ' CG ' ' A' ' 80' ' ' TYR . 13.8 tp -64.85 -31.41 72.63 Favored 'General case' 0 N--CA 1.503 2.218 0 CA-C-N 112.753 -2.021 . . . . 0.0 110.885 159.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -68.15 -47.15 68.83 Favored 'General case' 0 N--CA 1.498 1.97 0 C-N-CA 127.087 2.155 . . . . 0.0 112.648 170.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.495 ' O ' HG22 ' A' ' 66' ' ' VAL . 1.3 tm? -50.82 -61.79 2.0 Allowed 'General case' 0 CA--C 1.555 1.154 0 O-C-N 119.266 -2.146 . . . . 0.0 113.243 169.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.492 ' N ' HD13 ' A' ' 62' ' ' LEU . 89.7 mt -58.69 -36.37 74.11 Favored 'General case' 0 N--CA 1.506 2.368 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -173.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -57.91 -41.94 83.72 Favored 'General case' 0 CA--C 1.56 1.355 0 CA-C-O 124.485 2.088 . . . . 0.0 114.663 174.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.6 m -82.22 -14.04 56.15 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 126.124 1.77 . . . . 0.0 109.833 -176.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 62' ' ' LEU 0.266 27.8 m -114.77 27.69 3.1 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.23 0 CA-C-N 123.958 3.072 . . . . 0.0 115.96 176.692 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.261 16.4 p80 53.84 19.46 1.93 Allowed 'General case' 0 C--N 1.383 2.042 0 C-N-CA 129.687 3.195 . . . . 0.0 118.191 167.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.7 mp -77.01 -52.61 9.05 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 125.024 2.345 . . . . 0.0 108.269 165.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.3 t -97.94 163.86 2.46 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.556 0 CA-C-N 112.756 -2.02 . . . . 0.0 109.137 -172.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.535 ' HE2' ' HA ' ' A' ' 83' ' ' ASP . 28.3 ttpt -151.5 124.2 8.49 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 119.805 -1.809 . . . . 0.0 114.526 176.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.8 153.99 19.84 Favored 'General case' 0 N--CA 1.504 2.251 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 49.5 tttm -153.89 154.64 34.25 Favored 'General case' 0 C--N 1.383 2.028 0 C-N-CA 125.389 1.476 . . . . 0.0 111.907 162.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -75.72 132.9 40.8 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 117.765 -3.084 . . . . 0.0 108.791 -178.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -132.35 106.85 8.16 Favored 'General case' 0 CA--C 1.576 1.955 0 O-C-N 118.526 -2.609 . . . . 0.0 105.482 158.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.54 -149.39 33.47 Favored Glycine 0 N--CA 1.494 2.524 0 CA-C-N 122.075 2.216 . . . . 0.0 108.178 177.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . 0.264 5.6 pt20 -72.4 14.01 0.28 Allowed 'General case' 0 N--CA 1.508 2.471 0 N-CA-C 118.288 2.699 . . . . 0.0 118.288 171.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.9 m -131.93 159.56 38.31 Favored 'General case' 0 N--CA 1.512 2.673 0 CA-C-O 117.793 -1.098 . . . . 0.0 113.805 -171.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 74.2 mmm -110.08 126.99 54.6 Favored 'General case' 0 C--N 1.371 1.543 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 174.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 36.9 mm -96.71 133.16 39.17 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.229 0 O-C-N 125.539 1.774 . . . . 0.0 107.921 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.451 ' CG ' HD21 ' A' ' 60' ' ' LEU . 34.2 m-85 -121.19 135.42 55.15 Favored 'General case' 0 C--N 1.288 -2.077 0 C-N-CA 127.1 2.16 . . . . 0.0 105.878 -168.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.5 m -147.56 -174.06 4.44 Favored 'General case' 0 N--CA 1.504 2.235 0 C-N-CA 126.262 1.825 . . . . 0.0 107.462 -167.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -82.01 157.5 24.17 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 113.592 -3.099 . . . . 0.0 116.674 165.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.535 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 21.3 t70 -74.59 -28.27 60.84 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 124.243 3.201 . . . . 0.0 115.61 -174.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -173.28 176.89 2.79 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 127.127 2.171 . . . . 0.0 114.408 169.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.0 tp -50.14 -29.93 6.22 Favored 'Isoleucine or valine' 0 C--N 1.368 1.385 0 N-CA-C 117.509 2.411 . . . . 0.0 117.509 173.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -58.69 -58.54 8.13 Favored 'General case' 0 N--CA 1.407 -2.599 0 O-C-N 117.231 -3.418 . . . . 0.0 113.326 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.27 -36.66 50.04 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.206 0 C-N-CA 127.441 2.297 . . . . 0.0 109.539 -177.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.458 ' O ' ' HB2' ' A' ' 92' ' ' LYS . . . -57.23 -35.42 69.67 Favored 'General case' 0 C--O 1.267 2.012 0 O-C-N 124.463 1.102 . . . . 0.0 111.375 169.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 38.7 m -91.79 -31.77 15.62 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 117.264 -3.397 . . . . 0.0 110.692 -174.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.5 ttt -44.83 -64.38 0.72 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 119.272 -2.142 . . . . 0.0 114.873 159.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.425 HD13 ' CB ' ' A' ' 32' ' ' MET . 7.3 tt -67.77 -44.02 78.42 Favored 'General case' 0 C--O 1.271 2.188 0 CA-C-N 121.81 2.095 . . . . 0.0 110.382 -176.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 88' ' ' ALA 0.265 18.0 tttp -45.78 -57.81 3.99 Favored 'General case' 0 C--N 1.373 1.596 0 C-N-CA 126.252 1.821 . . . . 0.0 112.936 171.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -62.97 -31.88 73.09 Favored 'General case' 0 C--O 1.253 1.241 0 C-N-CA 129.462 3.105 . . . . 0.0 116.298 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.94 -48.43 71.41 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 168.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -49.37 -18.1 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.4 2.775 0 CA-C-O 124.77 2.224 . . . . 0.0 111.048 168.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . 0.397 29.9 m-70 -95.45 -15.54 22.89 Favored 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 117.176 2.287 . . . . 0.0 117.176 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -98.6 -19.85 17.34 Favored 'General case' 0 C--N 1.383 2.053 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 166.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -51.54 -38.65 55.24 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 119.61 3.189 . . . . 0.0 119.61 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -140.77 163.02 34.04 Favored 'General case' 0 CA--C 1.594 2.642 0 C-N-CA 128.416 2.686 . . . . 0.0 112.107 154.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -133.61 88.85 32.69 Favored Pre-proline 0 CA--C 1.586 2.335 0 N-CA-C 104.814 -2.291 . . . . 0.0 104.814 -178.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -106.59 147.91 0.1 OUTLIER 'Trans proline' 0 CA--C 1.58 2.81 0 C-N-CA 121.743 1.629 . . . . 0.0 111.381 -159.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -64.16 156.54 28.2 Favored 'General case' 0 C--O 1.26 1.617 0 C-N-CA 128.089 2.556 . . . . 0.0 111.202 168.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 . . . . . 0 N--CA 1.502 2.167 0 O-C-N 119.832 -1.792 . . . . 0.0 112.254 175.275 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 6.3 m120 . . . . . 0 N--CA 1.438 -1.033 0 N-CA-C 116.705 2.113 . . . . 0.0 116.705 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.404 ' C ' ' H ' ' B' ' 12' ' ' THR . 66.2 p -139.59 -21.73 0.9 Allowed 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 131.468 3.907 . . . . 0.0 113.978 169.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . 0.334 11.6 m-20 63.79 -29.24 0.09 Allowed 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 129.283 3.033 . . . . 0.0 115.13 -174.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.404 ' H ' ' C ' ' B' ' 10' ' ' THR . 41.8 p -132.4 -42.94 0.94 Allowed 'General case' 0 C--O 1.244 0.782 0 CA-C-O 113.539 -3.124 . . . . 0.0 113.261 -164.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.496 HD11 HG13 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -50.98 -51.2 55.13 Favored 'General case' 0 N--CA 1.508 2.428 0 CA-C-N 122.72 2.509 . . . . 0.0 117.223 162.362 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -60.01 7.82 0.02 OUTLIER 'General case' 0 CA--C 1.584 2.257 0 N-CA-C 116.067 1.877 . . . . 0.0 116.067 173.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -139.23 -25.06 0.86 Allowed 'General case' 0 N--CA 1.419 -1.982 1 C-N-CA 131.814 4.046 . . . . 0.0 117.625 177.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.51 HG23 HD11 ' A' ' 29' ' ' ILE . 35.3 m -81.22 -28.13 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 CA-C-N 122.393 2.361 . . . . 0.0 112.875 169.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 5.7 p -38.44 -52.68 1.57 Allowed 'General case' 0 CA--C 1.497 -1.08 0 CA-C-N 122.773 2.533 . . . . 0.0 107.719 168.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -57.98 -33.03 68.45 Favored 'General case' 0 N--CA 1.427 -1.581 0 O-C-N 126.896 2.623 . . . . 0.0 114.56 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.415 HD12 HG12 ' B' ' 16' ' ' VAL . 5.8 mt -79.15 -46.52 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 CA-C-O 118.025 -0.988 . . . . 0.0 111.523 171.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -81.14 -4.18 54.52 Favored 'General case' 0 C--O 1.273 2.315 1 C-N-CA 133.983 4.913 . . . . 0.0 112.697 -168.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . 0.275 24.8 pttt -100.32 -20.22 15.96 Favored 'General case' 0 CA--C 1.579 2.082 0 CA-C-O 112.183 -3.77 . . . . 0.0 111.027 158.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.92 -10.9 23.8 Favored 'General case' 0 N--CA 1.506 2.361 0 CA-C-N 121.875 2.125 . . . . 0.0 110.851 -176.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.09 -13.15 32.78 Favored 'General case' 0 N--CA 1.501 2.121 0 CA-C-N 123.51 2.868 . . . . 0.0 112.748 172.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.71 49.13 2.73 Favored Glycine 1 CA--C 1.58 4.153 0 CA-C-O 117.117 -1.935 . . . . 0.0 116.383 -159.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -155.89 118.74 4.22 Favored 'General case' 0 C--O 1.265 1.896 0 N-CA-C 103.668 -2.715 . . . . 0.0 103.668 173.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -56.8 -35.31 68.58 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.051 0.941 . . . . 0.0 110.434 -175.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -59.79 -60.57 3.63 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 128.606 2.762 . . . . 0.0 110.194 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . 0.284 68.2 mtt180 -42.55 -46.99 5.07 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 129.595 3.158 . . . . 0.0 108.824 174.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.8 mm -80.8 -44.0 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 CA-C-O 115.319 -2.277 . . . . 0.0 108.762 -169.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 -50.47 -39.71 48.77 Favored 'General case' 0 N--CA 1.427 -1.586 0 O-C-N 125.393 1.683 . . . . 0.0 111.24 174.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 16.1 mt -60.04 -40.99 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.494 0 CA-C-N 114.324 -1.307 . . . . 0.0 114.013 169.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . 0.567 ' SD ' HD22 ' B' ' 63' ' ' LEU . 43.9 mtm -86.69 -47.58 9.02 Favored 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -175.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -19.65 -54.87 0.01 OUTLIER 'General case' 0 N--CA 1.529 3.49 0 O-C-N 119.759 -1.838 . . . . 0.0 112.763 141.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -68.69 -59.6 3.0 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 175.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 83.3 mt -53.74 -26.93 25.63 Favored 'General case' 0 C--N 1.364 1.224 0 N-CA-C 121.172 3.768 . . . . 0.0 121.172 -177.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 81.4 p -72.94 -3.33 25.21 Favored 'General case' 0 CA--C 1.564 1.516 1 O-C-N 130.365 4.79 . . . . 0.0 118.056 170.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 3.6 m -123.99 -20.87 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.539 0 CA-C-O 117.192 -1.385 . . . . 0.0 112.352 162.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 27.5 t -160.07 104.24 1.5 Allowed 'General case' 0 C--N 1.374 1.637 0 CA-C-N 121.242 1.837 . . . . 0.0 114.177 176.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -51.35 143.17 12.01 Favored 'General case' 0 CA--C 1.597 2.759 0 O-C-N 125.512 1.757 . . . . 0.0 112.545 -174.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.13 158.3 43.87 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 116.04 1.867 . . . . 0.0 116.04 165.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 8.5 t -98.07 151.79 19.98 Favored 'General case' 0 CA--C 1.462 -2.423 0 O-C-N 119.795 -1.815 . . . . 0.0 111.504 162.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . 0.29 2.6 t 10.2 -70.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.261 1.69 0 C-N-CA 129.861 3.264 . . . . 0.0 119.777 150.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.53 -13.77 83.17 Favored Glycine 0 N--CA 1.488 2.151 0 C-N-CA 116.776 -2.631 . . . . 0.0 117.83 -172.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -95.81 -33.03 12.4 Favored 'General case' 0 CA--C 1.568 1.662 0 CA-C-O 117.148 -1.406 . . . . 0.0 111.252 170.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 87.1 mt -50.79 -44.95 27.23 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.078 0 C-N-CA 128.104 2.561 . . . . 0.0 110.626 163.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 39.0 m -60.61 -16.77 41.7 Favored 'General case' 0 CA--C 1.582 2.174 0 CA-C-N 112.911 -1.95 . . . . 0.0 113.534 176.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -101.21 -56.3 2.34 Favored 'General case' 0 CA--C 1.591 2.535 0 CA-C-O 115.759 -2.067 . . . . 0.0 109.054 171.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -53.54 -38.37 63.74 Favored 'General case' 0 C--O 1.274 2.362 0 C-N-CA 128.567 2.747 . . . . 0.0 117.346 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 mt -119.02 12.22 12.69 Favored 'General case' 0 CA--C 1.603 3.019 0 C-N-CA 130.961 3.704 . . . . 0.0 114.839 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 23.7 m120 34.29 59.94 0.6 Allowed 'General case' 0 C--O 1.257 1.493 0 C-N-CA 129.386 3.075 . . . . 0.0 111.245 175.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 47.4 mt -116.28 161.67 18.65 Favored 'General case' 0 N--CA 1.517 2.898 0 O-C-N 118.95 -2.344 . . . . 0.0 108.219 169.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 22.5 p -72.45 145.57 47.51 Favored 'General case' 0 C--N 1.387 2.2 0 CA-C-N 121.467 1.94 . . . . 0.0 108.885 177.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -63.22 -36.14 82.66 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 119.634 -1.916 . . . . 0.0 113.143 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.5 -44.57 96.85 Favored 'General case' 0 CA--C 1.572 1.82 0 C-N-CA 128.39 2.676 . . . . 0.0 110.011 174.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -64.94 -32.35 74.03 Favored 'General case' 0 N--CA 1.509 2.485 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 167.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . 0.401 52.4 t -76.61 -40.37 33.37 Favored 'Isoleucine or valine' 0 C--N 1.368 1.399 1 O-C-N 115.729 -4.357 . . . . 0.0 113.873 177.734 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 75.7 m -47.92 -7.63 0.02 OUTLIER 'General case' 0 N--CA 1.416 -2.132 0 C-N-CA 130.391 3.476 . . . . 0.0 115.875 156.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -119.08 -37.79 3.15 Favored 'General case' 0 C--N 1.404 2.971 0 C-N-CA 128.036 2.534 . . . . 0.0 117.077 176.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -82.77 -54.12 5.36 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 127.244 2.218 . . . . 0.0 109.719 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.3 tp -58.51 -15.64 11.97 Favored 'General case' 0 C--N 1.368 1.386 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 173.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -87.08 -27.07 23.36 Favored 'General case' 0 C--O 1.261 1.702 0 CA-C-O 118.458 -0.782 . . . . 0.0 111.93 168.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.483 ' C ' HD13 ' B' ' 62' ' ' LEU . 1.6 tm? -61.55 -53.99 49.07 Favored 'General case' 0 CA--C 1.484 -1.58 0 CA-C-N 121.536 1.971 . . . . 0.0 110.99 172.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.567 HD22 ' SD ' ' B' ' 32' ' ' MET . 79.4 mt -56.89 -38.22 72.49 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 124.601 2.144 . . . . 0.0 110.043 -172.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -65.86 -49.99 66.14 Favored 'General case' 0 N--CA 1.523 3.216 0 CA-C-N 110.801 -2.909 . . . . 0.0 105.12 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.3 m -75.22 1.41 13.54 Favored 'General case' 0 CA--C 1.562 1.427 0 O-C-N 120.057 -1.652 . . . . 0.0 114.683 -173.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.454 HG23 ' HG ' ' B' ' 68' ' ' LEU 0.312 13.0 m -110.08 2.01 9.21 Favored 'Isoleucine or valine' 0 C--N 1.369 1.423 0 O-C-N 116.395 -3.94 . . . . 0.0 111.907 165.791 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . 0.263 0.9 OUTLIER 61.89 25.58 15.39 Favored 'General case' 0 N--CA 1.408 -2.528 0 C-N-CA 128.241 2.616 . . . . 0.0 117.439 -179.37 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.454 ' HG ' HG23 ' B' ' 66' ' ' VAL . 16.7 mt -72.55 -25.03 61.22 Favored 'General case' 0 N--CA 1.497 1.875 0 C-N-CA 128.189 2.596 . . . . 0.0 112.916 165.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.0 t -130.08 152.28 37.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 C-N-CA 129.026 2.93 . . . . 0.0 113.196 -171.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -138.53 137.89 37.49 Favored 'General case' 0 C--N 1.386 2.182 0 CA-C-O 125.278 2.466 . . . . 0.0 115.784 167.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.89 143.65 29.74 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 112.468 -2.151 . . . . 0.0 110.29 167.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -137.52 144.31 42.1 Favored 'General case' 0 N--CA 1.499 1.984 0 CA-C-N 114.651 -1.158 . . . . 0.0 110.078 174.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 85.9 mtt-85 -97.38 126.77 42.83 Favored 'General case' 0 CA--C 1.572 1.814 0 C-N-CA 125.534 1.534 . . . . 0.0 113.348 -167.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -140.35 95.44 2.88 Favored 'General case' 0 N--CA 1.413 -2.278 0 C-N-CA 126.177 1.791 . . . . 0.0 114.86 177.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.42 -124.76 35.88 Favored Glycine 1 CA--C 1.583 4.316 0 O-C-N 126.252 2.22 . . . . 0.0 113.107 -167.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -76.31 -25.56 54.92 Favored 'General case' 0 N--CA 1.482 1.162 1 C-N-CA 132.567 4.347 . . . . 0.0 112.397 -176.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 93.6 p -103.88 167.02 10.05 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 118.604 -2.56 . . . . 0.0 115.654 176.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 42.5 mtm -113.9 126.59 55.33 Favored 'General case' 0 C--O 1.267 1.983 0 N-CA-C 103.991 -2.596 . . . . 0.0 103.991 171.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 28.3 mm -94.82 150.44 4.1 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.983 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 172.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -127.64 145.8 50.76 Favored 'General case' 0 CA--C 1.564 1.481 0 CA-C-O 124.344 2.021 . . . . 0.0 114.491 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 1.5 m -133.96 172.28 13.03 Favored 'General case' 0 N--CA 1.401 -2.904 0 C-N-CA 131.194 3.798 . . . . 0.0 113.287 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 9.6 mp -72.72 156.58 38.79 Favored 'General case' 0 C--O 1.265 1.917 0 O-C-N 118.872 -2.392 . . . . 0.0 107.158 157.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . 0.299 21.4 t0 -71.24 -51.34 25.18 Favored 'General case' 0 C--O 1.285 2.967 0 O-C-N 119.861 -1.775 . . . . 0.0 111.65 -169.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -151.75 -176.04 5.46 Favored 'General case' 0 C--N 1.377 1.793 0 CA-C-O 124.67 2.176 . . . . 0.0 109.945 166.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.52 HD12 ' C ' ' B' ' 85' ' ' ILE . 1.1 pp -76.03 0.15 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.16 0 CA-C-N 110.154 -3.203 . . . . 0.0 115.99 -176.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -64.72 -64.04 0.97 Allowed 'General case' 0 C--N 1.281 -2.408 1 O-C-N 115.744 -4.347 . . . . 0.0 116.561 167.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . 0.334 1.6 m -62.29 -32.88 56.29 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.176 0 CA-C-N 114.395 -1.275 . . . . 0.0 112.834 173.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.02 -36.87 85.0 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 117.009 -3.557 . . . . 0.0 110.074 176.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 5.4 m -77.58 -32.15 53.54 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 123.759 1.742 . . . . 0.0 108.976 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 7.5 tmm? -67.19 -44.82 78.69 Favored 'General case' 0 N--CA 1.409 -2.497 0 N-CA-C 120.244 3.424 . . . . 0.0 120.244 172.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 tt -56.7 -50.12 73.11 Favored 'General case' 0 C--O 1.248 0.981 0 CA-C-N 113.237 -1.801 . . . . 0.0 108.145 166.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -73.01 -33.35 65.7 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 118.115 -2.866 . . . . 0.0 109.672 -170.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -79.19 -7.48 58.25 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 117.419 -3.301 . . . . 0.0 113.807 171.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.02 -48.14 22.11 Favored 'General case' 0 CA--C 1.562 1.432 0 CA-C-O 115.152 -2.356 . . . . 0.0 112.18 158.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 2.2 mm -54.98 -41.06 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.804 0 O-C-N 125.5 1.75 . . . . 0.0 110.499 166.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . 0.274 0.9 OUTLIER -64.94 -35.02 79.8 Favored 'General case' 0 N--CA 1.525 3.289 0 O-C-N 120.732 -1.23 . . . . 0.0 114.198 -178.785 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -80.42 -22.71 40.93 Favored 'General case' 0 CA--C 1.576 1.969 0 CA-C-O 124.802 2.239 . . . . 0.0 111.343 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -77.52 -15.75 59.09 Favored 'General case' 0 C--N 1.377 1.772 1 CA-C-O 129.814 4.626 . . . . 0.0 115.682 168.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -138.06 93.34 2.75 Favored 'General case' 0 C--O 1.265 1.898 1 O-C-N 114.18 -5.325 . . . . 0.0 109.584 -166.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -110.56 152.78 43.6 Favored Pre-proline 0 N--CA 1.512 2.671 0 CA-C-O 114.282 -2.77 . . . . 0.0 114.801 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -59.72 -24.7 76.62 Favored 'Trans proline' 0 CA--C 1.551 1.359 0 CA-C-N 124.684 2.709 . . . . 0.0 115.528 177.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -137.82 142.82 40.81 Favored 'General case' 0 CA--C 1.483 -1.622 0 CA-C-O 123.683 1.706 . . . . 0.0 107.807 -176.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 C--N 1.283 -2.31 0 CA-C-O 114.932 -2.461 . . . . 0.0 111.455 160.958 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 C--O 1.26 1.617 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 p -80.63 -39.52 27.27 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 118.347 -2.721 . . . . 0.0 110.993 161.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 47.33 -33.6 0.0 OUTLIER 'General case' 0 CA--C 1.581 2.16 1 C-N-CA 135.027 5.331 . . . . 0.0 116.593 177.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.4 p -148.58 -30.74 0.27 Allowed 'General case' 0 C--O 1.266 1.941 0 C-N-CA 130.162 3.385 . . . . 0.0 115.136 -172.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . 0.25 1.4 mm? -55.46 -41.48 72.99 Favored 'General case' 0 CA--C 1.561 1.367 0 CA-C-O 115.983 -1.96 . . . . 0.0 114.294 -173.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -62.82 -24.81 67.95 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 120.841 1.655 . . . . 0.0 115.378 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -81.21 -12.08 59.24 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 162.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.54 HG12 ' CZ ' ' A' ' 20' ' ' PHE . 4.0 t -83.93 -41.1 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.156 -0.965 . . . . 0.0 111.73 170.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.7 p -67.58 -26.7 66.41 Favored 'General case' 0 N--CA 1.512 2.637 0 C-N-CA 118.345 -1.342 . . . . 0.0 111.623 171.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -68.47 -15.54 63.58 Favored 'General case' 0 C--O 1.204 -1.303 0 C-N-CA 125.898 1.679 . . . . 0.0 112.658 167.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.426 HD11 HG13 ' A' ' 16' ' ' VAL . 2.7 pp -116.76 29.74 2.44 Favored 'Isoleucine or valine' 0 C--N 1.363 1.184 0 CA-C-N 120.943 1.701 . . . . 0.0 112.709 170.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.54 ' CZ ' HG12 ' A' ' 16' ' ' VAL . 10.2 m-85 -117.01 -37.88 3.5 Favored 'General case' 0 C--N 1.366 1.32 0 O-C-N 118.251 -2.781 . . . . 0.0 110.59 160.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -63.34 64.98 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.043 0 O-C-N 124.467 1.104 . . . . 0.0 110.856 150.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -176.99 -26.44 0.01 OUTLIER 'General case' 0 C--N 1.264 -3.112 0 O-C-N 128.554 3.659 . . . . 0.0 109.751 -176.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.6 mt -92.78 -123.5 0.09 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 127.841 2.456 . . . . 0.0 106.785 172.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.29 22.43 0.95 Allowed Glycine 1 CA--C 1.618 6.493 1 N-CA-C 123.864 4.306 . . . . 0.0 123.864 -179.346 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -145.42 -177.69 5.69 Favored 'General case' 0 C--N 1.396 2.598 0 N-CA-C 116.86 2.17 . . . . 0.0 116.86 164.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -99.2 -61.44 1.37 Allowed 'General case' 0 CA--C 1.552 1.035 0 O-C-N 119.104 -2.247 . . . . 0.0 114.065 -165.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -68.83 -45.38 71.3 Favored 'General case' 0 CA--C 1.574 1.875 0 O-C-N 117.144 -3.473 . . . . 0.0 109.167 -175.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -28.95 -30.81 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.587 0 C-N-CA 128.864 2.866 . . . . 0.0 116.083 169.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.9 pt -120.65 -12.43 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 174.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.1 ttp85 -62.6 -20.13 64.43 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 117.573 -3.204 . . . . 0.0 112.827 165.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.413 HG13 HD22 ' A' ' 49' ' ' LEU . 9.4 mt -80.34 -40.86 20.2 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.434 0 O-C-N 119.554 -1.966 . . . . 0.0 112.074 167.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 87.5 mtp -81.15 -50.04 10.09 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-O 115.101 -2.38 . . . . 0.0 108.119 -163.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.444 ' N ' HD22 ' A' ' 91' ' ' LEU . 10.4 tm-20 -11.75 -54.29 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.681 0 N-CA-C 120.43 3.493 . . . . 0.0 120.43 141.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.64 HD13 ' C ' ' A' ' 34' ' ' LEU 0.252 0.2 OUTLIER -81.39 -43.2 19.32 Favored 'General case' 0 N--CA 1.511 2.584 0 CA-C-N 113.782 -1.554 . . . . 0.0 112.561 -175.801 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.459 ' CD2' ' H ' ' A' ' 40' ' ' ALA . 90.0 mt -65.74 -25.87 67.48 Favored 'General case' 0 C--O 1.192 -1.955 0 O-C-N 121.606 -0.684 . . . . 0.0 109.973 -175.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.3 m -67.0 -5.94 14.89 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 129.401 3.081 . . . . 0.0 116.007 174.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.5 m -135.63 -21.72 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 167.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.5 m -155.01 113.5 3.53 Favored 'General case' 0 CA--C 1.489 -1.394 0 C-N-CA 125.645 1.578 . . . . 0.0 109.003 166.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -66.63 143.17 57.16 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 124.089 1.9 . . . . 0.0 112.894 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.459 ' H ' ' CD2' ' A' ' 35' ' ' LEU . . . -141.65 147.83 38.18 Favored 'General case' 0 CA--C 1.623 3.768 0 C-N-CA 129.007 2.923 . . . . 0.0 109.763 -174.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.9 t -103.81 170.45 7.92 Favored 'General case' 1 N--CA 1.587 6.394 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 171.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 t -23.7 -65.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.366 1.315 0 C-N-CA 126.238 1.815 . . . . 0.0 114.564 174.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.98 -38.85 94.82 Favored Glycine 0 C--N 1.338 0.687 0 O-C-N 126.095 2.122 . . . . 0.0 115.949 -178.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -84.73 -24.86 28.68 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 116.869 2.174 . . . . 0.0 116.869 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.408 HG23 HD13 ' A' ' 49' ' ' LEU . 54.3 mt -66.79 -55.72 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.793 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 169.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -43.46 -44.17 5.72 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 128.611 2.764 . . . . 0.0 114.593 169.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -60.37 -74.0 0.08 Allowed 'General case' 0 C--O 1.203 -1.359 0 O-C-N 118.186 -2.821 . . . . 0.0 113.692 163.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -71.0 -32.76 69.68 Favored 'General case' 0 CA--C 1.599 2.839 0 CA-C-O 122.803 1.287 . . . . 0.0 111.715 -154.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.413 HD22 HG13 ' A' ' 31' ' ' ILE . 2.7 mp -102.54 10.77 38.63 Favored 'General case' 0 CA--C 1.567 1.621 0 CA-C-O 116.905 -1.521 . . . . 0.0 111.139 176.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.4 m120 57.09 50.1 12.54 Favored 'General case' 0 N--CA 1.51 2.54 0 N-CA-C 118.883 2.92 . . . . 0.0 118.883 172.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.9 mt -112.9 -142.51 0.38 Allowed 'General case' 0 CA--C 1.584 2.279 0 C-N-CA 127.084 2.154 . . . . 0.0 113.424 -177.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.5 p -155.43 164.74 38.31 Favored 'General case' 0 CA--C 1.577 2.019 0 CA-C-N 120.638 1.563 . . . . 0.0 110.221 -178.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -74.43 -44.41 51.95 Favored 'General case' 0 N--CA 1.426 -1.627 0 C-N-CA 118.462 -1.295 . . . . 0.0 114.426 -166.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.5 m -68.22 -42.83 79.23 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 123.148 1.451 . . . . 0.0 109.313 -174.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -51.71 -48.88 63.39 Favored 'General case' 0 C--O 1.194 -1.847 1 C-N-CA 132.129 4.172 . . . . 0.0 112.125 171.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.512 ' C ' ' H ' ' A' ' 58' ' ' HIS . 74.7 t -83.13 -32.78 9.72 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.003 0 O-C-N 118.687 -2.508 . . . . 0.0 111.411 -175.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.6 m -60.16 10.15 0.02 OUTLIER 'General case' 0 C--O 1.248 1.003 0 O-C-N 117.08 -3.512 . . . . 0.0 113.701 162.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.512 ' H ' ' C ' ' A' ' 56' ' ' VAL . 52.4 t-80 -140.56 -30.73 0.64 Allowed 'General case' 0 CA--C 1.567 1.631 0 O-C-N 120.363 -1.46 . . . . 0.0 111.403 -178.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -95.22 -30.58 13.92 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 118.215 -2.803 . . . . 0.0 110.339 177.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.447 HD21 ' CD1' ' A' ' 80' ' ' TYR . 7.7 tp -60.61 -50.35 73.88 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 129.058 2.943 . . . . 0.0 111.563 156.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -62.71 -39.24 93.41 Favored 'General case' 0 C--N 1.393 2.473 0 N-CA-C 106.668 -1.605 . . . . 0.0 106.668 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.431 HD13 ' N ' ' A' ' 63' ' ' LEU . 2.7 tm? -52.3 -70.19 0.09 Allowed 'General case' 1 N--CA 1.54 4.038 0 CA-C-O 115.134 -2.365 . . . . 0.0 111.157 172.629 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.431 ' N ' HD13 ' A' ' 62' ' ' LEU . 92.7 mt -45.82 -53.6 9.41 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 124.122 1.915 . . . . 0.0 111.823 -174.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -49.86 -31.46 12.1 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 111.591 -2.549 . . . . 0.0 117.231 169.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.1 m -90.35 3.91 52.34 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 174.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.7 m -126.04 7.02 4.0 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.5 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 177.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.256 7.6 p80 56.97 26.82 12.3 Favored 'General case' 0 N--CA 1.419 -2.005 0 CA-C-O 126.35 2.976 . . . . 0.0 115.503 175.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.5 mp -79.23 -24.95 42.7 Favored 'General case' 0 C--O 1.247 0.936 0 CA-C-N 113.344 -1.753 . . . . 0.0 115.699 159.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -126.52 155.88 37.07 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.688 0 C-N-CA 131.604 3.961 . . . . 0.0 118.024 -174.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -144.63 128.75 17.64 Favored 'General case' 0 N--CA 1.422 -1.825 0 O-C-N 120.156 -1.59 . . . . 0.0 111.657 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.782 ' HB2' ' CE2' ' A' ' 80' ' ' TYR . . . -81.09 146.7 30.47 Favored 'General case' 0 CA--C 1.572 1.798 0 C-N-CA 128.682 2.793 . . . . 0.0 112.704 173.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -150.19 151.95 33.88 Favored 'General case' 0 CA--C 1.485 -1.547 0 CA-C-O 122.843 1.306 . . . . 0.0 109.049 169.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 56.9 ttt-85 -98.01 123.99 42.28 Favored 'General case' 0 C--N 1.382 1.993 0 C-N-CA 125.114 1.366 . . . . 0.0 108.92 -171.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -144.91 119.94 10.04 Favored 'General case' 0 CA--C 1.608 3.185 0 N-CA-C 105.91 -1.885 . . . . 0.0 105.91 -174.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 50.86 -127.84 28.6 Favored Glycine 0 N--CA 1.44 -1.077 0 CA-C-N 112.5 -2.137 . . . . 0.0 113.834 -159.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -96.38 30.6 2.48 Favored 'General case' 0 C--N 1.388 2.257 0 CA-C-O 116.199 -1.858 . . . . 0.0 112.512 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.2 m -136.83 165.64 25.47 Favored 'General case' 0 C--N 1.289 -2.032 0 CA-C-O 124.639 2.161 . . . . 0.0 108.638 -169.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 93.6 mmm -112.07 129.31 56.26 Favored 'General case' 0 C--N 1.383 2.053 0 CA-C-N 111.298 -2.683 . . . . 0.0 112.988 160.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . 0.253 5.6 mm -99.88 155.84 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.52 0 N-CA-C 105.069 -2.197 . . . . 0.0 105.069 175.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.782 ' CE2' ' HB2' ' A' ' 71' ' ' ALA . 45.1 m-85 -135.85 149.29 48.99 Favored 'General case' 0 CA--C 1.461 -2.473 0 CA-C-N 110.383 -3.099 . . . . 0.0 113.533 177.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.8 m -146.78 165.94 28.14 Favored 'General case' 0 C--O 1.192 -1.97 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 -161.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -53.33 149.04 7.87 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-O 124.752 2.215 . . . . 0.0 109.502 163.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . 0.335 30.7 t70 -52.56 -58.35 7.05 Favored 'General case' 0 N--CA 1.506 2.344 1 O-C-N 113.623 -5.673 . . . . 0.0 113.845 167.633 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -156.7 -177.34 6.54 Favored 'General case' 0 C--O 1.248 0.991 0 CA-C-O 125.018 2.342 . . . . 0.0 110.448 172.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.8 tp -62.9 -18.01 20.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 116.657 -3.777 . . . . 0.0 114.277 176.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -69.03 -50.49 48.2 Favored 'General case' 0 C--O 1.209 -1.077 0 O-C-N 116.654 -3.779 . . . . 0.0 112.098 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.6 p -78.01 -34.74 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.999 0 CA-C-N 112.649 -2.069 . . . . 0.0 116.436 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -47.12 -49.13 22.66 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 120.335 1.425 . . . . 0.0 112.85 154.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.5 m -64.63 -53.34 49.19 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 -175.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 36.8 ttp -53.94 -44.87 71.01 Favored 'General case' 0 C--N 1.389 2.3 0 C-N-CA 125.872 1.669 . . . . 0.0 109.034 -172.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 33' ' ' GLU . 3.3 tt -66.15 -38.2 87.52 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 117.238 -3.414 . . . . 0.0 114.596 167.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.5 tptt -71.23 -41.1 70.59 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 119.262 -2.149 . . . . 0.0 114.755 -176.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -74.79 -16.64 60.7 Favored 'General case' 0 N--CA 1.507 2.414 0 O-C-N 120.208 -1.558 . . . . 0.0 114.918 172.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -78.78 -42.75 27.11 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 117.452 2.39 . . . . 0.0 117.452 164.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -57.01 -21.22 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.287 0 C-N-CA 125.856 1.663 . . . . 0.0 110.183 169.174 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -90.88 0.59 57.45 Favored 'General case' 0 CA--C 1.555 1.164 0 N-CA-C 117.547 2.425 . . . . 0.0 117.547 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -119.18 6.65 11.24 Favored 'General case' 0 N--CA 1.521 3.122 0 O-C-N 120.247 -1.533 . . . . 0.0 114.533 163.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.636 ' HB1' ' HB2' ' B' ' 15' ' ' ARG . . . -67.77 -47.86 68.02 Favored 'General case' 0 N--CA 1.505 2.288 0 C-N-CA 126.124 1.77 . . . . 0.0 113.012 164.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -136.39 177.2 8.03 Favored 'General case' 0 N--CA 1.507 2.418 0 CA-C-N 119.272 0.942 . . . . 0.0 112.231 164.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -141.12 60.95 13.32 Favored Pre-proline 0 N--CA 1.513 2.683 0 O-C-N 126.432 2.333 . . . . 0.0 111.6 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -62.82 166.43 13.97 Favored 'Trans proline' 0 N--CA 1.429 -2.309 1 C-N-CA 127.148 5.232 . . . . 0.0 113.299 -165.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -102.17 151.73 21.85 Favored 'General case' 0 N--CA 1.422 -1.867 0 CA-C-N 112.98 -1.918 . . . . 0.0 113.9 174.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 C--N 1.393 2.483 0 O-C-N 116.734 -3.728 . . . . 0.0 108.691 -172.643 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 8.2 m120 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 62.9 p -137.29 -21.86 1.17 Allowed 'General case' 0 C--N 1.365 1.264 0 O-C-N 118.012 -2.93 . . . . 0.0 112.827 175.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 34.76 -15.76 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.679 0 N-CA-C 119.873 3.286 . . . . 0.0 119.873 -150.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 33.0 p -116.0 -57.18 2.24 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-N 121.978 2.172 . . . . 0.0 107.673 -162.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.2 -53.93 19.0 Favored 'General case' 0 C--O 1.186 -2.248 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 165.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -47.7 -5.61 0.01 OUTLIER 'General case' 0 C--N 1.276 -2.592 0 C-N-CA 127.393 2.277 . . . . 0.0 116.009 161.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.636 ' HB2' ' HB1' ' A' ' 98' ' ' ALA . 2.7 mmp_? -132.02 -19.27 2.57 Favored 'General case' 0 N--CA 1.404 -2.769 0 N-CA-C 119.707 3.225 . . . . 0.0 119.707 177.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.476 HG12 HD12 ' B' ' 19' ' ' ILE . 21.4 m -88.03 -12.33 10.44 Favored 'Isoleucine or valine' 0 C--N 1.369 1.443 0 O-C-N 117.674 -3.141 . . . . 0.0 115.208 171.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.5 p -68.37 -38.04 81.02 Favored 'General case' 0 C--O 1.199 -1.6 0 C-N-CA 117.016 -1.874 . . . . 0.0 110.671 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . 0.262 5.1 tp10 -52.59 -36.7 56.68 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-N 112.429 -2.169 . . . . 0.0 115.692 162.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.476 HD12 HG12 ' B' ' 16' ' ' VAL . 50.4 mt -76.53 -42.93 35.48 Favored 'Isoleucine or valine' 0 C--O 1.259 1.576 0 CA-C-O 114.579 -2.629 . . . . 0.0 111.695 169.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . 0.27 5.1 m-30 -79.75 -9.94 59.72 Favored 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 130.801 3.641 . . . . 0.0 110.713 -167.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -84.05 -42.63 15.94 Favored 'General case' 0 C--O 1.276 2.483 0 C-N-CA 127.656 2.383 . . . . 0.0 115.247 157.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.73 -16.04 61.66 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 -176.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 80.9 mt -67.51 -11.81 58.84 Favored 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 124.931 1.293 . . . . 0.0 113.383 178.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.09 42.86 0.3 Allowed Glycine 0 C--O 1.197 -2.209 0 C-N-CA 130.1 3.714 . . . . 0.0 115.347 -161.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -157.72 131.9 8.21 Favored 'General case' 0 CA--C 1.597 2.754 0 CA-C-N 121.316 2.558 . . . . 0.0 106.027 173.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -33.83 74.43 Favored 'General case' 0 CA--C 1.564 1.509 0 CA-C-N 120.061 1.301 . . . . 0.0 110.152 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -69.0 -42.38 76.52 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -178.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -56.76 -35.01 68.15 Favored 'General case' 0 C--O 1.168 -3.194 0 C-N-CA 123.859 0.864 . . . . 0.0 111.596 174.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 13.2 mm -89.62 -45.73 15.22 Favored 'Isoleucine or valine' 0 C--O 1.258 1.514 0 C-N-CA 126.538 1.935 . . . . 0.0 113.279 -169.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -54.12 -24.16 16.67 Favored 'General case' 0 C--N 1.396 2.623 0 C-N-CA 127.108 2.163 . . . . 0.0 107.897 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 31.5 mt -72.8 -38.05 56.53 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.749 0 O-C-N 118.88 -2.388 . . . . 0.0 111.776 171.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . 0.467 ' HB2' ' CD1' ' B' ' 91' ' ' LEU 0.256 70.5 mtm -91.01 -43.24 10.06 Favored 'General case' 0 C--N 1.289 -2.032 1 O-C-N 116.289 -4.007 . . . . 0.0 114.035 -173.199 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -21.73 -43.33 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 127.271 2.228 . . . . 0.0 114.979 135.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.553 ' O ' HG22 ' B' ' 37' ' ' VAL . 0.4 OUTLIER -78.0 -54.09 6.68 Favored 'General case' 0 C--O 1.265 1.872 0 O-C-N 118.989 -2.319 . . . . 0.0 114.437 168.196 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.409 ' CD2' ' H ' ' B' ' 40' ' ' ALA . 30.9 mt -61.35 -32.62 72.51 Favored 'General case' 0 CA--C 1.592 2.574 0 C-N-CA 127.757 2.423 . . . . 0.0 115.433 -170.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 36.9 p -62.95 -10.2 12.72 Favored 'General case' 0 N--CA 1.518 2.944 0 CA-C-N 110.653 -2.976 . . . . 0.0 117.735 164.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.553 HG22 ' O ' ' B' ' 34' ' ' LEU 0.296 20.8 m -117.05 -52.28 4.41 Favored 'Isoleucine or valine' 0 C--N 1.365 1.279 0 C-N-CA 129.82 3.248 . . . . 0.0 111.649 172.237 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 9.1 t -130.47 138.67 50.38 Favored 'General case' 0 C--O 1.202 -1.441 0 C-N-CA 128.895 2.878 . . . . 0.0 115.064 166.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -78.14 134.47 37.67 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 117.838 2.532 . . . . 0.0 117.838 177.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.409 ' H ' ' CD2' ' B' ' 35' ' ' LEU . . . -144.01 156.85 44.55 Favored 'General case' 0 C--O 1.254 1.314 0 O-C-N 119.918 -1.739 . . . . 0.0 110.238 -176.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.418 ' HB2' ' HA ' ' B' ' 79' ' ' ILE . 41.2 t -122.42 150.6 42.24 Favored 'General case' 0 C--O 1.255 1.384 0 O-C-N 127.846 3.217 . . . . 0.0 108.228 -175.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 40.6 t -15.0 -65.78 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.96 0 O-C-N 127.409 2.943 . . . . 0.0 118.652 -176.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.8 -45.39 79.71 Favored Glycine 0 CA--C 1.575 3.798 0 O-C-N 126.694 2.496 . . . . 0.0 110.761 -177.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -80.19 -39.11 29.86 Favored 'General case' 0 N--CA 1.419 -2.016 0 C-N-CA 126.437 1.895 . . . . 0.0 111.127 -177.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.561 HG23 HD13 ' B' ' 49' ' ' LEU . 92.3 mt -50.39 -40.5 18.37 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.205 0 O-C-N 119.848 -1.782 . . . . 0.0 112.267 165.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 43.1 m -64.8 -22.76 67.05 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 177.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . 0.255 5.9 t-80 -88.84 -40.21 13.3 Favored 'General case' 0 N--CA 1.512 2.659 0 C-N-CA 124.282 1.033 . . . . 0.0 111.539 173.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -81.51 -24.66 36.53 Favored 'General case' 0 C--O 1.209 -1.028 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -171.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.561 HD13 HG23 ' B' ' 45' ' ' ILE . 5.3 mp -124.45 11.36 8.63 Favored 'General case' 0 C--N 1.363 1.188 0 N-CA-C 117.118 2.266 . . . . 0.0 117.118 179.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 20.0 m120 49.31 56.81 7.25 Favored 'General case' 0 C--O 1.279 2.643 0 C-N-CA 126.992 2.117 . . . . 0.0 106.097 170.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 72.5 mt -109.46 158.34 18.06 Favored 'General case' 0 CA--C 1.578 2.029 0 C-N-CA 128.584 2.753 . . . . 0.0 104.654 168.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.0 p -76.11 144.51 40.61 Favored 'General case' 0 CA--C 1.555 1.145 0 O-C-N 120.563 -1.336 . . . . 0.0 112.471 163.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -63.57 -36.59 84.3 Favored 'General case' 0 C--O 1.204 -1.316 0 O-C-N 116.615 -3.803 . . . . 0.0 108.625 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.0 m -67.5 -23.59 65.49 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 121.228 1.831 . . . . 0.0 111.426 -177.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -76.02 -39.02 56.6 Favored 'General case' 0 C--O 1.3 3.733 0 O-C-N 118.83 -2.419 . . . . 0.0 112.412 168.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . 0.387 21.7 t -76.14 -34.66 26.82 Favored 'Isoleucine or valine' 0 C--O 1.279 2.615 0 CA-C-O 113.888 -2.958 . . . . 0.0 113.154 -178.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 29.3 m -58.07 0.53 0.06 Allowed 'General case' 0 C--N 1.37 1.462 0 O-C-N 126.605 2.441 . . . . 0.0 114.84 162.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -124.57 -37.48 2.5 Favored 'General case' 0 CA--C 1.485 -1.535 0 CA-C-N 120.073 1.306 . . . . 0.0 114.512 174.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -66.84 -40.44 87.94 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 118.386 -2.696 . . . . 0.0 110.773 174.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 tp -66.05 -36.22 82.64 Favored 'General case' 0 C--O 1.277 2.519 0 O-C-N 119.343 -2.098 . . . . 0.0 108.373 177.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -76.44 -36.0 58.19 Favored 'General case' 0 C--N 1.376 1.757 0 O-C-N 116.96 -3.588 . . . . 0.0 113.628 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -53.1 -60.81 2.82 Favored 'General case' 0 C--O 1.251 1.144 0 CA-C-N 120.263 1.392 . . . . 0.0 108.089 168.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 86.3 mt -55.06 -37.84 67.26 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 123.859 0.725 . . . . 0.0 112.609 -174.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -55.83 -56.64 18.17 Favored 'General case' 0 C--O 1.207 -1.155 0 C-N-CA 128.915 2.886 . . . . 0.0 107.971 179.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.0 m -62.54 -8.54 6.52 Favored 'General case' 0 CA--C 1.573 1.839 0 C-N-CA 129.726 3.211 . . . . 0.0 118.352 171.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 1.3 m -112.87 19.95 6.84 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.916 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 159.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 27.9 m170 56.52 13.73 1.44 Allowed 'General case' 0 C--O 1.272 2.256 0 N-CA-C 118.205 2.668 . . . . 0.0 118.205 170.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.462 HD21 HG12 ' B' ' 19' ' ' ILE . 10.5 mt -86.38 -23.08 26.27 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.393 -0.817 . . . . 0.0 109.505 171.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.0 t -108.86 151.8 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 O-C-N 125.314 1.634 . . . . 0.0 112.002 169.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.501 ' HG2' ' HB2' ' B' ' 81' ' ' SER . 18.7 ptmt -132.5 161.39 33.88 Favored 'General case' 0 N--CA 1.501 2.093 0 CA-C-N 114.808 -1.087 . . . . 0.0 113.391 158.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . 0.411 ' HB2' ' CE2' ' B' ' 80' ' ' TYR . . . -96.95 171.59 8.4 Favored 'General case' 0 C--O 1.265 1.908 0 CA-C-N 113.475 -1.693 . . . . 0.0 110.18 159.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -157.99 138.79 13.06 Favored 'General case' 0 N--CA 1.488 1.457 1 C-N-CA 135.453 5.501 . . . . 0.0 111.279 164.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.468 ' HG2' ' HG2' ' B' ' 78' ' ' MET . 55.3 mtt-85 -93.75 127.79 39.64 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 105.856 -1.905 . . . . 0.0 105.856 -175.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -144.48 116.39 8.3 Favored 'General case' 0 N--CA 1.418 -2.032 0 CA-C-O 114.975 -2.441 . . . . 0.0 112.347 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.53 -162.53 29.24 Favored Glycine 1 N--CA 1.518 4.126 0 C-N-CA 117.281 -2.39 . . . . 0.0 112.145 -166.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -78.97 37.56 0.31 Allowed 'General case' 0 C--O 1.269 2.101 0 N-CA-C 115.489 1.663 . . . . 0.0 115.489 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 85.6 p -155.8 171.07 20.65 Favored 'General case' 0 C--N 1.284 -2.255 0 N-CA-C 116.283 1.957 . . . . 0.0 116.283 169.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.468 ' HG2' ' HG2' ' B' ' 73' ' ' ARG . 36.5 mtm -93.74 129.15 40.18 Favored 'General case' 0 N--CA 1.51 2.575 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 170.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.418 ' HA ' ' HB2' ' B' ' 41' ' ' SER 0.263 43.3 mm -86.63 156.92 3.3 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 161.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . 0.411 ' CE2' ' HB2' ' B' ' 71' ' ' ALA . 53.6 m-85 -127.12 149.98 49.7 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 126.827 2.051 . . . . 0.0 113.157 179.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.501 ' HB2' ' HG2' ' B' ' 70' ' ' LYS . 58.1 m -143.81 156.24 44.41 Favored 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 128.925 2.89 . . . . 0.0 110.321 -170.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 mt -48.57 141.85 6.58 Favored 'General case' 0 C--O 1.261 1.661 0 O-C-N 119.952 -1.717 . . . . 0.0 110.791 147.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -65.47 -41.97 92.76 Favored 'General case' 0 CA--C 1.492 -1.26 0 O-C-N 120.265 -1.522 . . . . 0.0 114.442 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -167.53 -175.45 2.84 Favored 'General case' 0 C--O 1.248 0.998 0 C-N-CA 118.105 -1.438 . . . . 0.0 112.048 158.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.8 pp -64.57 -2.59 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 C-N-CA 127.094 2.157 . . . . 0.0 112.009 -172.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -72.42 -69.21 0.42 Allowed 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 123.492 2.86 . . . . 0.0 111.96 172.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.422 ' HA ' ' HB3' ' B' ' 90' ' ' MET . 3.2 m -77.05 -15.8 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.339 0 CA-C-N 124.284 3.22 . . . . 0.0 112.652 -177.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.07 -49.75 65.77 Favored 'General case' 1 CA--C 1.642 4.506 0 C-N-CA 128.949 2.9 . . . . 0.0 106.254 161.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 89.0 m -77.4 -33.3 55.08 Favored 'General case' 0 C--N 1.285 -2.205 0 CA-C-O 116.947 -1.502 . . . . 0.0 112.079 -172.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . 0.422 ' HB3' ' HA ' ' B' ' 87' ' ' VAL . 14.7 tmm? -57.89 -51.41 69.74 Favored 'General case' 0 N--CA 1.512 2.672 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 162.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' B' ' 32' ' ' MET . 5.4 tt -66.61 -54.28 25.15 Favored 'General case' 0 N--CA 1.49 1.535 1 CA-C-O 110.932 -4.366 . . . . 0.0 108.605 178.482 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -52.73 -34.28 51.96 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 124.679 3.4 . . . . 0.0 111.492 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -82.69 -12.75 57.36 Favored 'General case' 0 C--O 1.252 1.214 0 C-N-CA 126.362 1.865 . . . . 0.0 113.083 -177.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.64 -45.46 19.02 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.545 1.938 . . . . 0.0 107.362 172.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 2.8 mm -59.37 -43.51 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 120.868 -1.145 . . . . 0.0 108.268 169.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -64.18 -32.24 73.74 Favored 'General case' 0 CA--C 1.585 2.3 0 O-C-N 121.24 -0.912 . . . . 0.0 112.8 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -70.75 -40.73 72.52 Favored 'General case' 0 N--CA 1.424 -1.754 0 C-N-CA 117.433 -1.707 . . . . 0.0 113.651 171.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.57 -23.99 66.35 Favored 'General case' 0 N--CA 1.533 3.702 0 N-CA-C 119.115 3.006 . . . . 0.0 119.115 168.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -128.35 85.31 2.32 Favored 'General case' 0 C--N 1.372 1.577 0 O-C-N 127.101 2.751 . . . . 0.0 108.305 -170.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -91.82 159.5 38.06 Favored Pre-proline 0 CA--C 1.586 2.348 0 O-C-N 127.634 3.084 . . . . 0.0 113.54 176.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -75.1 -36.06 2.71 Favored 'Trans proline' 0 CA--C 1.465 -2.964 0 C-N-CA 115.663 -2.425 . . . . 0.0 113.453 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -123.7 168.48 12.63 Favored 'General case' 0 CA--C 1.577 2.008 0 CA-C-N 121.177 1.808 . . . . 0.0 111.822 168.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 . . . . . 0 N--CA 1.512 2.647 0 O-C-N 117.812 -3.055 . . . . 0.0 109.51 161.58 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 . . . . . 0 CA--C 1.482 -1.65 0 CA-C-O 120.948 0.404 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.7 p -132.59 -42.59 0.93 Allowed 'General case' 0 N--CA 1.525 3.28 0 CA-C-N 114.518 -1.219 . . . . 0.0 112.159 176.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 49.84 -34.52 0.0 OUTLIER 'General case' 0 N--CA 1.523 3.223 1 N-CA-C 122.537 4.273 . . . . 0.0 122.537 -172.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.1 p -147.03 -37.92 0.21 Allowed 'General case' 0 C--O 1.273 2.325 0 C-N-CA 126.575 1.95 . . . . 0.0 115.347 -174.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.44 -31.05 70.99 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-O 115.558 -2.163 . . . . 0.0 113.759 -163.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -58.39 -18.59 29.1 Favored 'General case' 0 C--O 1.204 -1.295 0 CA-C-N 123.523 2.874 . . . . 0.0 110.009 176.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -93.17 -23.6 18.52 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 127.536 2.334 . . . . 0.0 112.903 -175.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.5 t -99.09 -40.68 9.15 Favored 'Isoleucine or valine' 0 C--O 1.247 0.939 0 C-N-CA 127.975 2.51 . . . . 0.0 109.28 -165.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.1 p -40.27 -38.25 0.76 Allowed 'General case' 0 C--O 1.218 -0.564 0 O-C-N 117.069 -3.52 . . . . 0.0 113.179 154.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -58.56 -24.18 60.18 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 119.88 1.218 . . . . 0.0 113.662 175.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.3 pp -104.95 17.64 5.42 Favored 'Isoleucine or valine' 0 C--O 1.26 1.612 0 O-C-N 119.084 -2.26 . . . . 0.0 113.606 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -106.73 -43.62 4.66 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.409 1.884 . . . . 0.0 111.454 161.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -59.46 61.91 0.0 OUTLIER 'General case' 0 C--N 1.28 -2.446 0 C-N-CA 130.324 3.45 . . . . 0.0 112.753 147.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -165.39 -38.9 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.107 1 CA-C-N 107.343 -4.48 . . . . 0.0 106.709 173.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.482 HD13 ' CG ' ' B' ' 20' ' ' PHE . 4.9 mt -81.44 -135.12 0.03 OUTLIER 'General case' 0 N--CA 1.524 3.246 0 C-N-CA 131.436 3.894 . . . . 0.0 110.151 -176.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.86 14.89 32.49 Favored Glycine 0 CA--C 1.555 2.552 0 O-C-N 127.885 3.24 . . . . 0.0 117.743 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -130.75 171.12 13.47 Favored 'General case' 0 C--N 1.396 2.627 0 O-C-N 125.86 1.564 . . . . 0.0 111.972 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -89.76 -70.57 0.66 Allowed 'General case' 0 C--N 1.363 1.181 0 C-N-CA 126.682 1.993 . . . . 0.0 112.317 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -65.73 -52.25 52.7 Favored 'General case' 0 CA--C 1.578 2.035 0 O-C-N 125.515 1.759 . . . . 0.0 110.331 -168.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.587 ' HG2' HD21 ' A' ' 63' ' ' LEU . 32.6 ttm180 -22.44 -34.41 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.417 0 C-N-CA 131.353 3.861 . . . . 0.0 117.137 167.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.536 HG13 HD11 ' B' ' 13' ' ' LEU . 16.2 pt -118.02 -14.46 9.63 Favored 'Isoleucine or valine' 0 C--O 1.263 1.806 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.8 ttp85 -63.72 -26.05 68.48 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 125.67 2.653 . . . . 0.0 111.672 161.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.2 mt -65.35 -51.62 62.18 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.294 0 O-C-N 119.004 -2.31 . . . . 0.0 112.487 167.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.564 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 29.2 mtp -83.93 -44.76 13.9 Favored 'General case' 0 C--O 1.261 1.67 0 O-C-N 119.73 -1.856 . . . . 0.0 115.562 -170.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -21.39 -52.01 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 117.924 2.565 . . . . 0.0 117.924 145.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.89 -57.1 4.12 Favored 'General case' 0 N--CA 1.517 2.879 0 C-N-CA 119.565 -0.854 . . . . 0.0 112.031 179.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.444 HD23 ' H ' ' A' ' 40' ' ' ALA . 73.5 mt -52.59 -22.87 5.47 Favored 'General case' 0 C--O 1.19 -2.06 0 N-CA-C 117.04 2.237 . . . . 0.0 117.04 -173.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.256 8.5 m -74.78 -10.32 59.4 Favored 'General case' 0 C--O 1.182 -2.462 0 CA-C-N 110.889 -2.868 . . . . 0.0 112.83 177.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.2 m -140.04 -23.11 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 CA-C-N 115.248 -0.887 . . . . 0.0 112.803 -174.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.2 m -161.53 95.77 1.02 Allowed 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 124.918 2.294 . . . . 0.0 109.453 156.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -55.76 142.82 33.17 Favored 'General case' 0 N--CA 1.522 3.135 0 N-CA-C 117.537 2.421 . . . . 0.0 117.537 -176.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.444 ' H ' HD23 ' A' ' 35' ' ' LEU . . . -142.95 166.69 23.96 Favored 'General case' 0 C--N 1.421 3.681 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 173.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.5 t -96.8 154.0 17.55 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 112.019 -2.355 . . . . 0.0 110.544 169.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.424 ' CG2' HD23 ' A' ' 60' ' ' LEU . 38.6 t -12.8 -64.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.267 1.986 0 C-N-CA 130.023 3.329 . . . . 0.0 119.759 171.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.76 -40.75 93.32 Favored Glycine 0 C--O 1.276 2.758 0 N-CA-C 118.972 2.349 . . . . 0.0 118.972 171.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -89.83 -24.43 21.42 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 120.288 2.044 . . . . 0.0 105.589 -173.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.3 mt -50.84 -61.51 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.266 0 CA-C-N 118.676 0.671 . . . . 0.0 109.973 158.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.451 ' HA ' ' HB2' ' A' ' 51' ' ' LEU . 29.5 m -58.44 -16.28 14.37 Favored 'General case' 0 N--CA 1.424 -1.768 0 C-N-CA 129.072 2.949 . . . . 0.0 112.033 178.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -89.92 -61.03 1.78 Allowed 'General case' 0 N--CA 1.506 2.339 0 CA-C-O 114.546 -2.645 . . . . 0.0 109.128 172.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -77.23 -27.96 53.55 Favored 'General case' 0 C--N 1.285 -2.222 0 C-N-CA 128.148 2.579 . . . . 0.0 107.029 -163.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 mp -96.79 -4.45 40.48 Favored 'General case' 0 CA--C 1.558 1.265 1 O-C-N 114.836 -4.915 . . . . 0.0 108.557 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.265 30.8 m120 47.13 65.14 1.32 Allowed 'General case' 0 N--CA 1.425 -1.679 0 O-C-N 117.714 -3.117 . . . . 0.0 113.16 -174.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 46' ' ' SER . 79.9 mt -108.22 -133.25 0.33 Allowed 'General case' 0 C--N 1.391 2.39 0 CA-C-N 111.679 -2.51 . . . . 0.0 113.798 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.1 p -159.02 151.49 21.55 Favored 'General case' 0 N--CA 1.52 3.046 0 CA-C-O 117.793 -1.099 . . . . 0.0 109.02 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -60.24 -31.98 70.7 Favored 'General case' 0 N--CA 1.509 2.502 0 O-C-N 125.499 1.749 . . . . 0.0 111.288 174.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . 0.252 29.8 m -63.39 -30.46 71.58 Favored 'General case' 0 N--CA 1.525 3.299 0 C-N-CA 128.675 2.79 . . . . 0.0 110.36 170.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -80.38 -43.75 20.56 Favored 'General case' 0 CA--C 1.559 1.314 0 CA-C-O 128.303 3.906 . . . . 0.0 105.895 -171.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.7 t -91.16 -37.04 8.68 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.608 1 O-C-N 116.143 -4.098 . . . . 0.0 113.643 -158.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.7 m -70.75 18.73 0.06 Allowed 'General case' 0 CA--C 1.555 1.166 0 O-C-N 119.673 -1.892 . . . . 0.0 115.754 166.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -122.81 -50.02 1.97 Allowed 'General case' 0 C--O 1.25 1.118 0 C-N-CA 128.064 2.546 . . . . 0.0 108.431 175.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -90.34 -41.03 11.74 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 130.048 3.339 . . . . 0.0 110.896 -171.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.424 HD23 ' CG2' ' A' ' 42' ' ' VAL . 21.9 tp -67.82 -34.77 77.4 Favored 'General case' 0 CA--C 1.56 1.361 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 171.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -65.67 -45.88 81.23 Favored 'General case' 0 C--O 1.189 -2.126 0 CA-C-O 114.618 -2.61 . . . . 0.0 113.201 170.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.537 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -57.44 -52.79 63.96 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 125.203 1.564 . . . . 0.0 108.899 179.699 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.587 HD21 ' HG2' ' A' ' 28' ' ' ARG . 38.2 mt -58.68 -37.54 76.27 Favored 'General case' 0 CA--C 1.475 -1.93 0 CA-C-O 126.939 3.257 . . . . 0.0 111.49 -171.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -52.77 -54.9 27.48 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 131.491 3.916 . . . . 0.0 109.155 173.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.4 m -59.57 -26.67 65.59 Favored 'General case' 0 CA--C 1.582 2.198 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 177.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.266 33.7 m -106.22 10.97 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.629 0 CA-C-O 122.929 1.347 . . . . 0.0 114.345 -175.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.7 p80 61.76 24.11 14.29 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 130.747 3.619 . . . . 0.0 116.619 173.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.3 mp -84.13 -25.28 29.8 Favored 'General case' 0 CA--C 1.499 -0.995 0 CA-C-N 112.974 -1.921 . . . . 0.0 108.291 173.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.285 2.3 t -112.45 157.43 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 130.508 3.523 . . . . 0.0 110.861 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -130.11 145.2 51.68 Favored 'General case' 0 N--CA 1.503 2.213 0 C-N-CA 127.674 2.389 . . . . 0.0 113.389 154.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -91.54 150.54 21.15 Favored 'General case' 0 CA--C 1.577 2.016 1 O-C-N 129.146 4.028 . . . . 0.0 114.848 165.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -154.5 152.52 30.19 Favored 'General case' 0 CA--C 1.494 -1.182 0 O-C-N 126.321 2.263 . . . . 0.0 113.303 163.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -91.37 140.2 30.0 Favored 'General case' 0 N--CA 1.517 2.879 0 CA-C-O 115.868 -2.015 . . . . 0.0 109.74 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -125.33 111.71 15.5 Favored 'General case' 0 C--O 1.262 1.737 0 C-N-CA 129.801 3.24 . . . . 0.0 111.388 156.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 47.38 -125.26 10.24 Favored Glycine 0 N--CA 1.504 3.176 0 CA-C-N 123.332 2.787 . . . . 0.0 113.778 -169.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -91.85 30.48 1.37 Allowed 'General case' 0 N--CA 1.52 3.027 0 CA-C-N 112.306 -1.947 . . . . 0.0 111.769 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.9 m -141.05 157.86 44.73 Favored 'General case' 0 C--O 1.252 1.206 0 O-C-N 117.586 -3.196 . . . . 0.0 112.428 166.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 28.6 mtt -105.35 148.14 27.39 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 118.125 -1.43 . . . . 0.0 108.063 160.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.5 mm -108.45 149.95 11.43 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.352 0 C-N-CA 130.537 3.535 . . . . 0.0 107.621 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -134.99 145.95 48.6 Favored 'General case' 0 C--N 1.382 2.021 0 O-C-N 120.124 -1.61 . . . . 0.0 112.499 -173.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . 0.381 20.0 m -158.52 174.52 14.96 Favored 'General case' 0 CA--C 1.483 -1.613 0 N-CA-C 120.916 3.673 . . . . 0.0 120.916 -163.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -56.1 132.27 49.82 Favored 'General case' 0 C--N 1.309 -1.187 0 C-N-CA 127.177 2.191 . . . . 0.0 113.826 166.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.07 -56.24 18.62 Favored 'General case' 0 CA--C 1.583 2.24 0 O-C-N 118.158 -2.839 . . . . 0.0 113.247 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -151.75 -179.33 7.34 Favored 'General case' 0 C--O 1.28 2.689 0 CA-C-O 113.391 -3.195 . . . . 0.0 118.144 169.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.446 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 9.3 tp -60.59 -20.58 21.38 Favored 'Isoleucine or valine' 0 C--O 1.263 1.783 0 N-CA-C 118.197 2.665 . . . . 0.0 118.197 -175.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -61.86 -45.4 93.94 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 122.067 0.937 . . . . 0.0 108.784 175.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.1 p -96.2 -28.77 3.89 Favored 'Isoleucine or valine' 0 C--O 1.175 -2.844 0 CA-C-O 115.109 -2.377 . . . . 0.0 106.467 -165.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.446 ' HB3' ' HA ' ' A' ' 85' ' ' ILE . . . -51.54 -34.31 35.87 Favored 'General case' 0 N--CA 1.507 2.421 0 CA-C-N 119.76 1.164 . . . . 0.0 113.9 154.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.7 m -82.36 -45.64 14.62 Favored 'General case' 0 CA--C 1.499 -0.992 0 O-C-N 119.906 -1.746 . . . . 0.0 112.462 175.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 39.7 ttp -49.81 -58.82 4.6 Favored 'General case' 0 CA--C 1.589 2.45 0 O-C-N 118.303 -2.748 . . . . 0.0 117.029 -175.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.564 ' CD1' ' HB2' ' A' ' 32' ' ' MET . 4.0 tt -63.34 -44.03 96.04 Favored 'General case' 0 N--CA 1.427 -1.593 0 O-C-N 125.723 1.889 . . . . 0.0 108.84 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -66.49 -26.94 67.41 Favored 'General case' 0 N--CA 1.514 2.726 0 O-C-N 119.963 -1.711 . . . . 0.0 112.513 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -84.98 -17.22 38.29 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-N 120.657 1.571 . . . . 0.0 113.936 172.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.437 ' C ' ' H ' ' A' ' 96' ' ' HIS . . . -84.29 -45.81 12.45 Favored 'General case' 0 CA--C 1.606 3.121 0 CA-C-O 114.882 -2.485 . . . . 0.0 110.055 176.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.46 HD11 HD22 ' B' ' 13' ' ' LEU . 0.3 OUTLIER -47.77 -8.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.392 2.425 0 C-N-CA 130.622 3.569 . . . . 0.0 114.362 160.778 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.437 ' H ' ' C ' ' A' ' 94' ' ' ALA . 0.8 OUTLIER -107.89 -18.64 13.75 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 125.871 1.982 . . . . 0.0 111.668 -170.043 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . 0.285 7.9 t60 -101.57 -18.01 16.11 Favored 'General case' 0 CA--C 1.559 1.317 0 O-C-N 118.002 -2.936 . . . . 0.0 113.837 169.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.437 ' HB1' ' HB2' ' B' ' 15' ' ' ARG . . . -44.56 -28.8 0.63 Allowed 'General case' 0 C--N 1.385 2.134 0 C-N-CA 126.658 1.983 . . . . 0.0 113.113 167.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -167.32 153.6 8.0 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 131.679 3.991 . . . . 0.0 107.484 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -122.46 71.49 37.02 Favored Pre-proline 0 CA--C 1.573 1.852 0 C-N-CA 126.213 1.805 . . . . 0.0 111.511 177.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -84.58 -164.42 0.24 Allowed 'Trans proline' 0 N--CA 1.409 -3.497 1 C-N-CA 125.999 4.466 . . . . 0.0 114.292 -165.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -137.19 146.77 45.29 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 115.315 1.598 . . . . 0.0 115.315 176.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 . . . . . 0 C--O 1.275 2.402 0 O-C-N 118.116 -2.865 . . . . 0.0 117.926 -179.069 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 m120 . . . . . 0 N--CA 1.484 1.261 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 10.6 p -115.28 -18.64 11.03 Favored 'General case' 0 CA--C 1.587 2.384 1 C-N-CA 131.717 4.007 . . . . 0.0 111.07 169.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 52.64 -31.06 0.01 OUTLIER 'General case' 1 N--CA 1.562 5.145 0 C-N-CA 130.146 3.378 . . . . 0.0 119.303 -167.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.4 p -137.13 -48.95 0.61 Allowed 'General case' 0 N--CA 1.527 3.418 0 O-C-N 118.06 -2.9 . . . . 0.0 108.717 -151.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.536 HD11 HG13 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -50.66 -46.95 58.74 Favored 'General case' 0 C--O 1.204 -1.312 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 170.556 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -63.59 2.62 0.42 Allowed 'General case' 0 C--O 1.244 0.813 0 N-CA-C 118.641 2.83 . . . . 0.0 118.641 171.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.437 ' HB2' ' HB1' ' A' ' 98' ' ' ALA 0.402 3.0 mmp_? -127.62 -13.58 5.34 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 126.944 2.098 . . . . 0.0 115.039 178.067 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.57 HG12 HD12 ' B' ' 19' ' ' ILE . 3.2 m -98.93 -12.15 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 117.525 2.417 . . . . 0.0 117.525 158.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.6 p -65.61 -33.94 77.07 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 119.633 -1.917 . . . . 0.0 109.731 168.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -46.34 -45.81 17.85 Favored 'General case' 0 CA--C 1.575 1.927 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 155.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.57 HD12 HG12 ' B' ' 16' ' ' VAL . 71.3 mt -82.52 -59.7 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.069 0 O-C-N 119.566 -1.958 . . . . 0.0 111.269 -172.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.482 ' CG ' HD13 ' A' ' 23' ' ' LEU . 6.3 m-30 -79.14 11.97 2.53 Favored 'General case' 0 CA--C 1.595 2.696 0 C-N-CA 124.144 0.978 . . . . 0.0 111.964 -173.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 40.9 pttt -96.41 -44.28 7.28 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-N 119.777 1.171 . . . . 0.0 114.123 152.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.29 -21.36 48.71 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 127.1 2.16 . . . . 0.0 111.271 -177.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 16.4 mt -63.57 -0.46 0.95 Allowed 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.856 2.062 . . . . 0.0 109.748 169.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.55 41.43 0.81 Allowed Glycine 0 N--CA 1.488 2.164 0 CA-C-O 114.817 -3.213 . . . . 0.0 119.858 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -164.33 119.9 1.52 Allowed 'General case' 0 CA--C 1.568 1.662 0 O-C-N 127.774 2.691 . . . . 0.0 103.752 157.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -45.4 -32.3 2.04 Favored 'General case' 0 N--CA 1.425 -1.716 0 N-CA-C 120.291 3.441 . . . . 0.0 120.291 178.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -66.19 -43.74 85.95 Favored 'General case' 0 CA--C 1.57 1.724 1 O-C-N 115.917 -4.24 . . . . 0.0 111.41 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -52.22 -36.69 52.92 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 126.703 2.001 . . . . 0.0 113.549 168.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 40.8 mm -81.74 -38.32 15.92 Favored 'Isoleucine or valine' 0 C--O 1.251 1.18 0 CA-C-O 126.601 3.096 . . . . 0.0 112.98 -175.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . 0.278 49.2 ttt-85 -67.66 -27.05 66.53 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-N 111.173 -2.739 . . . . 0.0 112.717 172.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 24.0 mt -71.75 -47.81 54.82 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 CA-C-O 113.583 -3.103 . . . . 0.0 110.065 163.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . 0.49 ' HB2' ' CD1' ' B' ' 91' ' ' LEU . 77.5 mtm -79.49 -35.55 40.01 Favored 'General case' 0 C--N 1.376 1.731 1 CA-C-N 126.143 4.065 . . . . 0.0 116.251 -169.556 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -26.4 -65.02 0.07 Allowed 'General case' 0 C--O 1.189 -2.113 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 139.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.588 HD13 ' N ' ' B' ' 35' ' ' LEU . 0.4 OUTLIER -65.44 -48.6 72.19 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-O 124.19 1.948 . . . . 0.0 113.969 -175.367 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.588 ' N ' HD13 ' B' ' 34' ' ' LEU . 92.0 mt -55.34 -26.9 43.7 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 117.969 -2.957 . . . . 0.0 117.115 177.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 1.9 p -62.54 -38.26 89.33 Favored 'General case' 0 CA--C 1.598 2.814 0 C-N-CA 131.193 3.797 . . . . 0.0 111.73 173.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . 0.295 5.6 m -91.49 -48.27 13.92 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.424 0 C-N-CA 131.346 3.858 . . . . 0.0 119.125 171.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 5.0 t -155.47 97.3 1.86 Allowed 'General case' 0 C--O 1.215 -0.75 0 O-C-N 124.721 1.263 . . . . 0.0 110.694 175.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -44.19 136.6 3.85 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 124.231 1.967 . . . . 0.0 109.117 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.583 ' H ' ' CD2' ' B' ' 35' ' ' LEU . . . -138.99 150.35 45.75 Favored 'General case' 0 CA--C 1.586 2.331 0 O-C-N 119.753 -1.842 . . . . 0.0 108.988 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . 0.279 7.5 t -93.69 164.24 13.23 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 126.797 2.039 . . . . 0.0 113.329 165.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 33.9 t -26.95 -70.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.258 1.505 0 N-CA-C 117.228 2.307 . . . . 0.0 117.228 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.18 -34.2 83.21 Favored Glycine 0 N--CA 1.486 2.001 0 C-N-CA 127.615 2.531 . . . . 0.0 112.405 -175.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -72.46 -48.32 41.87 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 119.398 -2.236 . . . . 0.0 114.508 170.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 68.9 mt -44.5 -56.63 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.372 0 O-C-N 118.465 -2.647 . . . . 0.0 107.436 172.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 63.4 m -56.71 -25.28 53.94 Favored 'General case' 0 N--CA 1.518 2.961 0 CA-C-N 112.828 -1.987 . . . . 0.0 116.28 -171.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -82.59 -62.15 1.69 Allowed 'General case' 0 C--O 1.282 2.809 0 C-N-CA 130.356 3.462 . . . . 0.0 108.321 171.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -68.18 -36.71 80.03 Favored 'General case' 0 N--CA 1.492 1.638 1 O-C-N 115.713 -4.367 . . . . 0.0 112.164 -167.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 6.1 mp -103.87 -2.46 26.21 Favored 'General case' 0 CA--C 1.609 3.244 0 C-N-CA 123.583 0.753 . . . . 0.0 109.036 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 29.9 m120 70.03 61.58 0.24 Allowed 'General case' 0 N--CA 1.467 0.392 1 O-C-N 113.606 -5.684 . . . . 0.0 111.765 167.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 13.9 mt -132.61 164.04 27.56 Favored 'General case' 0 N--CA 1.537 3.88 0 CA-C-O 114.667 -2.587 . . . . 0.0 115.344 171.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 89.2 p -74.28 148.01 41.83 Favored 'General case' 0 CA--C 1.494 -1.21 0 CA-C-N 121.403 1.91 . . . . 0.0 112.525 174.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -68.66 -38.48 80.45 Favored 'General case' 0 CA--C 1.475 -1.929 0 CA-C-N 120.089 1.313 . . . . 0.0 107.47 -168.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.7 p -80.45 -2.34 45.41 Favored 'General case' 0 N--CA 1.432 -1.325 0 O-C-N 120.026 -1.671 . . . . 0.0 111.231 -176.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -82.88 -24.87 33.0 Favored 'General case' 0 C--O 1.263 1.775 0 O-C-N 117.01 -3.556 . . . . 0.0 114.513 151.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . 0.379 13.3 t -86.62 -25.81 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 N-CA-C 115.308 1.596 . . . . 0.0 115.308 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 25.6 m -69.11 16.22 0.05 Allowed 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 114.168 -3.013 . . . . 0.0 117.668 157.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -132.23 -46.17 0.92 Allowed 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 116.57 -1.681 . . . . 0.0 110.107 173.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -57.12 -48.35 78.87 Favored 'General case' 0 C--O 1.185 -2.334 0 CA-C-O 126.675 3.131 . . . . 0.0 116.195 174.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.53 HD21 ' CG ' ' B' ' 80' ' ' TYR . 9.9 tp -55.38 -54.06 48.36 Favored 'General case' 0 C--O 1.255 1.376 0 CA-C-N 112.355 -2.202 . . . . 0.0 111.055 171.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -63.92 -25.79 68.3 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 128.132 2.573 . . . . 0.0 113.341 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.52 HD13 ' N ' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -77.47 -53.03 8.12 Favored 'General case' 0 CA--C 1.569 1.675 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 173.642 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.52 ' N ' HD13 ' B' ' 62' ' ' LEU . 18.2 mt -64.56 -34.67 78.78 Favored 'General case' 0 CA--C 1.569 1.689 0 O-C-N 119.104 -2.247 . . . . 0.0 110.579 -167.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 50.2 tttt -58.73 -49.92 75.81 Favored 'General case' 0 CA--C 1.579 2.082 1 CA-C-N 108.244 -4.071 . . . . 0.0 110.364 173.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 4.7 m -78.22 6.01 9.06 Favored 'General case' 0 C--N 1.277 -2.552 0 O-C-N 126.421 2.326 . . . . 0.0 114.56 173.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 1.3 m -117.3 11.52 7.3 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 O-C-N 127.013 2.696 . . . . 0.0 113.415 158.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . 0.564 4.6 m80 70.93 13.88 6.96 Favored 'General case' 0 C--O 1.208 -1.131 0 N-CA-C 117.969 2.581 . . . . 0.0 117.969 170.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 19.3 mt -85.64 -15.94 40.79 Favored 'General case' 0 CA--C 1.572 1.795 1 CA-C-O 128.506 4.003 . . . . 0.0 113.895 175.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.61 162.35 38.79 Favored 'Isoleucine or valine' 0 C--O 1.284 2.885 1 C-N-CA 131.872 4.069 . . . . 0.0 107.359 -171.464 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.456 ' HD2' ' HA ' ' B' ' 83' ' ' ASP . 8.7 ptmt -139.01 153.79 48.17 Favored 'General case' 0 CA--C 1.57 1.734 0 CA-C-O 124.671 2.176 . . . . 0.0 109.964 162.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . 0.537 ' HB2' ' CE2' ' B' ' 80' ' ' TYR . . . -98.03 127.71 44.14 Favored 'General case' 0 C--N 1.389 2.304 0 O-C-N 118.423 -2.673 . . . . 0.0 109.55 164.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -123.62 152.34 42.04 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 106.549 -1.649 . . . . 0.0 106.549 169.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -103.0 144.55 31.12 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 125.733 1.896 . . . . 0.0 112.971 -171.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -152.25 111.65 3.91 Favored 'General case' 0 N--CA 1.5 2.036 0 C-N-CA 125.922 1.689 . . . . 0.0 111.464 176.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 57.69 -134.29 52.4 Favored Glycine 0 CA--C 1.484 -1.876 0 CA-C-N 119.909 1.231 . . . . 0.0 114.868 -174.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -68.24 -15.13 63.45 Favored 'General case' 0 CA--C 1.598 2.798 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 96.4 p -130.93 -178.84 4.99 Favored 'General case' 0 C--O 1.268 2.065 0 N-CA-C 116.634 2.087 . . . . 0.0 116.634 -171.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 15.4 mtt -121.24 146.12 47.14 Favored 'General case' 0 C--N 1.364 1.211 0 C-N-CA 125.731 1.612 . . . . 0.0 111.009 178.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.9 mm -99.55 143.32 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.583 0 C-N-CA 128.882 2.873 . . . . 0.0 103.368 174.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . 0.537 ' CE2' ' HB2' ' B' ' 71' ' ' ALA . 46.2 m-85 -122.14 130.76 53.52 Favored 'General case' 0 C--O 1.266 1.955 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 14.9 m -143.99 154.75 43.6 Favored 'General case' 0 N--CA 1.499 2.003 0 C-N-CA 126.566 1.946 . . . . 0.0 109.296 -169.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.516 HD13 ' HB2' ' B' ' 88' ' ' ALA . 81.2 mt -62.26 151.86 35.17 Favored 'General case' 0 CA--C 1.574 1.873 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 177.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . 0.456 ' HA ' ' HD2' ' B' ' 70' ' ' LYS . 24.1 t0 -70.65 -39.77 73.44 Favored 'General case' 0 C--O 1.276 2.453 1 O-C-N 115.747 -4.346 . . . . 0.0 110.033 -164.28 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . 0.255 3.0 p30 -159.6 172.98 16.8 Favored 'General case' 1 N--CA 1.541 4.1 0 C-N-CA 126.451 1.9 . . . . 0.0 112.142 162.252 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -10.22 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.925 0 N-CA-C 120.882 3.66 . . . . 0.0 120.882 176.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -68.74 -57.47 5.6 Favored 'General case' 0 N--CA 1.414 -2.253 0 O-C-N 120.091 -1.631 . . . . 0.0 108.842 -173.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 1.4 m -79.57 -12.66 13.21 Favored 'Isoleucine or valine' 0 C--O 1.256 1.415 0 O-C-N 119.408 -2.057 . . . . 0.0 109.464 -174.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.516 ' HB2' HD13 ' B' ' 82' ' ' LEU . . . -56.78 -37.76 71.54 Favored 'General case' 0 CA--C 1.573 1.864 0 O-C-N 117.689 -3.132 . . . . 0.0 113.399 160.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 6.9 m -97.27 -31.27 12.5 Favored 'General case' 0 N--CA 1.415 -2.201 0 CA-C-O 113.399 -3.191 . . . . 0.0 108.445 -169.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -47.81 -65.26 0.6 Allowed 'General case' 0 C--O 1.279 2.625 0 O-C-N 125.629 1.83 . . . . 0.0 110.586 155.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.49 ' CD1' ' HB2' ' B' ' 32' ' ' MET . 7.0 tt -62.94 -48.41 79.02 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-O 114.88 -2.486 . . . . 0.0 109.116 -171.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -45.56 -41.57 10.05 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-N 123.377 2.808 . . . . 0.0 110.742 173.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -89.7 -19.77 24.41 Favored 'General case' 0 CA--C 1.578 2.021 0 CA-C-N 112.871 -1.968 . . . . 0.0 114.28 -174.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.26 -41.52 80.99 Favored 'General case' 0 C--O 1.203 -1.356 0 O-C-N 119.031 -2.293 . . . . 0.0 109.989 164.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mm -57.6 -47.94 84.3 Favored 'Isoleucine or valine' 0 CA--C 1.605 3.059 0 N-CA-C 102.851 -3.018 . . . . 0.0 102.851 167.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -68.64 -30.02 68.64 Favored 'General case' 0 C--O 1.267 1.988 0 CA-C-O 116.194 -1.86 . . . . 0.0 114.317 -166.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -77.49 -5.96 51.83 Favored 'General case' 0 C--O 1.284 2.911 0 CA-C-O 124.033 1.873 . . . . 0.0 114.157 175.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . 0.252 . . -109.57 -5.73 15.61 Favored 'General case' 0 C--O 1.199 -1.568 0 C-N-CA 126.682 1.993 . . . . 0.0 115.452 167.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -130.34 75.68 1.67 Allowed 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 127.816 2.446 . . . . 0.0 108.257 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -89.03 151.11 46.53 Favored Pre-proline 0 C--N 1.316 -0.874 0 C-N-CA 117.032 -1.867 . . . . 0.0 109.43 -172.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -70.24 -20.66 32.29 Favored 'Trans proline' 0 N--CA 1.5 1.857 0 C-N-CA 122.418 2.079 . . . . 0.0 113.435 -177.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -147.23 157.54 43.63 Favored 'General case' 0 N--CA 1.515 2.818 0 C-N-CA 130.253 3.421 . . . . 0.0 110.572 174.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 . . . . . 0 N--CA 1.475 0.798 0 C-N-CA 127.443 2.297 . . . . 0.0 112.978 -170.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 17.7 m120 . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 117.364 -1.303 . . . . 0.0 107.73 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.9 p -143.15 -36.14 0.38 Allowed 'General case' 0 C--O 1.207 -1.166 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 174.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 53.62 -52.03 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.376 1 C-N-CA 132.134 4.174 . . . . 0.0 117.465 174.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 58.3 p -125.78 -35.02 2.55 Favored 'General case' 0 C--O 1.189 -2.126 1 C-N-CA 132.385 4.274 . . . . 0.0 113.317 -175.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -57.4 -29.53 64.18 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 126.458 1.903 . . . . 0.0 114.369 -160.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -79.91 6.62 10.71 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 127.59 2.356 . . . . 0.0 112.213 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -124.32 -3.12 7.98 Favored 'General case' 0 N--CA 1.423 -1.809 0 C-N-CA 126.122 1.769 . . . . 0.0 112.079 160.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.605 HG12 ' CZ ' ' A' ' 20' ' ' PHE . 3.0 t -90.85 -38.53 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 CA-C-O 116.285 -1.817 . . . . 0.0 110.563 172.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.2 p -43.39 -39.63 3.3 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-N 123.066 2.666 . . . . 0.0 108.746 161.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -69.66 -22.77 63.42 Favored 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 130.094 3.358 . . . . 0.0 111.587 -169.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.38 2.2 pp -100.39 8.87 8.4 Favored 'Isoleucine or valine' 0 C--N 1.369 1.423 0 N-CA-C 116.622 2.082 . . . . 0.0 116.622 165.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.605 ' CZ ' HG12 ' A' ' 16' ' ' VAL . 13.5 m-85 -101.73 -35.17 9.17 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 119.085 2.995 . . . . 0.0 119.085 165.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -68.05 48.58 0.05 Allowed 'General case' 0 N--CA 1.49 1.529 1 C-N-CA 132.719 4.408 . . . . 0.0 112.02 152.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -155.55 -30.64 0.1 Allowed 'General case' 0 C--O 1.177 -2.758 1 O-C-N 131.266 5.354 . . . . 0.0 112.497 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.4 mt -86.38 -109.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 130.634 3.574 . . . . 0.0 109.839 -172.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.81 -32.53 0.01 OUTLIER Glycine 0 C--N 1.387 3.411 1 C-N-CA 131.034 4.159 . . . . 0.0 122.016 171.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -108.29 -174.47 2.53 Favored 'General case' 0 C--N 1.4 2.765 0 C-N-CA 124.236 1.014 . . . . 0.0 113.233 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -107.63 -65.88 1.07 Allowed 'General case' 0 N--CA 1.426 -1.667 0 C-N-CA 127.927 2.491 . . . . 0.0 112.475 -156.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -70.77 -39.17 73.39 Favored 'General case' 0 C--O 1.17 -3.085 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -169.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -25.07 -37.59 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.964 1 C-N-CA 131.944 4.098 . . . . 0.0 118.199 167.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.323 1.5 pt -123.43 -14.68 5.81 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.103 1 C-N-CA 132.814 4.446 . . . . 0.0 112.745 -175.532 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -60.25 -26.01 66.12 Favored 'General case' 0 N--CA 1.494 1.743 1 CA-C-O 111.354 -4.165 . . . . 0.0 108.346 153.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.5 mt -75.5 -48.58 30.11 Favored 'Isoleucine or valine' 0 C--N 1.348 0.527 0 N-CA-C 118.202 2.667 . . . . 0.0 118.202 163.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.478 ' HB3' HD13 ' A' ' 91' ' ' LEU 0.275 25.7 mtp -67.26 -40.06 86.18 Favored 'General case' 0 CA--C 1.599 2.848 0 O-C-N 119.793 -1.817 . . . . 0.0 115.201 179.614 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -28.55 -47.6 0.05 Allowed 'General case' 0 CA--C 1.487 -1.443 0 O-C-N 117.141 -3.475 . . . . 0.0 118.683 149.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -81.76 -30.09 32.55 Favored 'General case' 0 C--O 1.198 -1.612 0 C-N-CA 125.187 1.395 . . . . 0.0 113.744 177.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.475 HD22 ' H ' ' A' ' 40' ' ' ALA . 49.8 mt -72.87 -6.59 46.06 Favored 'General case' 0 C--O 1.176 -2.813 0 CA-C-O 123.648 1.69 . . . . 0.0 109.154 177.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.314 5.7 m -80.47 -15.23 57.24 Favored 'General case' 0 C--N 1.271 -2.844 0 C-N-CA 131.386 3.874 . . . . 0.0 114.586 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.6 m -138.95 -43.74 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.25 1.087 0 C-N-CA 129.169 2.988 . . . . 0.0 115.349 -167.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.2 m -155.6 78.45 1.0 Allowed 'General case' 0 C--O 1.198 -1.644 0 C-N-CA 126.891 2.076 . . . . 0.0 112.44 -179.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -67.39 146.15 54.33 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 120.315 3.45 . . . . 0.0 120.315 -166.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.475 ' H ' HD22 ' A' ' 35' ' ' LEU . . . -146.38 172.63 13.21 Favored 'General case' 0 N--CA 1.423 -1.824 0 N-CA-C 118.503 2.779 . . . . 0.0 118.503 -170.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.4 t -100.8 155.63 17.81 Favored 'General case' 0 C--O 1.21 -0.994 0 C-N-CA 128.665 2.786 . . . . 0.0 108.854 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.0 t -28.61 -56.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.261 1.665 0 C-N-CA 131.003 3.721 . . . . 0.0 115.146 172.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.22 -40.47 61.17 Favored Glycine 0 N--CA 1.429 -1.785 0 O-C-N 117.912 -2.992 . . . . 0.0 113.705 -176.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -70.92 -41.27 71.42 Favored 'General case' 0 N--CA 1.515 2.792 0 O-C-N 119.145 -2.386 . . . . 0.0 112.927 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.6 mt -50.19 -65.27 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.513 2.678 0 C-N-CA 128.563 2.745 . . . . 0.0 105.374 169.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.8 m -55.02 -13.46 1.14 Allowed 'General case' 0 N--CA 1.502 2.172 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 -171.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -92.68 -55.95 3.19 Favored 'General case' 0 N--CA 1.514 2.726 0 CA-C-O 125.541 2.591 . . . . 0.0 114.669 161.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -64.56 -41.73 96.12 Favored 'General case' 0 N--CA 1.399 -2.986 1 O-C-N 115.693 -4.379 . . . . 0.0 111.811 -171.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mp -96.31 3.86 52.7 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-N 114.369 -1.287 . . . . 0.0 109.729 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 m120 44.34 62.04 2.16 Favored 'General case' 0 C--O 1.265 1.882 0 N-CA-C 116.542 2.053 . . . . 0.0 116.542 -174.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.398 35.9 mt -95.35 -143.0 0.26 Allowed 'General case' 0 C--N 1.384 2.084 0 N-CA-C 117.981 2.586 . . . . 0.0 117.981 173.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 98.3 p -135.78 153.51 51.51 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 118.68 -2.513 . . . . 0.0 110.967 157.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -52.48 -48.53 65.86 Favored 'General case' 0 C--O 1.193 -1.872 0 CA-C-N 118.69 0.677 . . . . 0.0 109.806 171.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.84 -35.43 32.43 Favored 'General case' 0 C--N 1.369 1.448 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 174.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -74.43 -47.89 30.92 Favored 'General case' 0 C--O 1.269 2.088 0 C-N-CA 115.857 -2.337 . . . . 0.0 115.937 170.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.3 t -89.25 -26.92 5.35 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.227 0 N-CA-C 114.501 1.296 . . . . 0.0 114.501 -166.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.0 m -69.24 11.19 0.24 Allowed 'General case' 0 N--CA 1.501 2.105 0 CA-C-O 124.837 2.256 . . . . 0.0 112.314 161.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -124.36 -42.79 2.09 Favored 'General case' 0 CA--C 1.553 1.068 1 O-C-N 116.282 -4.011 . . . . 0.0 110.063 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -92.54 -38.45 11.92 Favored 'General case' 0 N--CA 1.53 3.546 0 N-CA-C 115.697 1.739 . . . . 0.0 115.697 -174.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 tp -56.13 -42.14 76.45 Favored 'General case' 0 C--O 1.197 -1.679 0 CA-C-O 116.047 -1.93 . . . . 0.0 110.549 160.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . 0.306 72.7 tttt -65.14 -40.97 95.14 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 124.922 1.389 . . . . 0.0 114.47 176.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.27 -63.33 1.34 Allowed 'General case' 0 C--O 1.192 -1.921 0 N-CA-C 103.887 -2.635 . . . . 0.0 103.887 175.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.417 ' HA ' HG22 ' A' ' 66' ' ' VAL . 33.7 mt -58.2 -33.99 69.88 Favored 'General case' 0 CA--C 1.572 1.82 0 CA-C-O 124.527 2.108 . . . . 0.0 113.229 -169.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -65.71 -45.65 81.95 Favored 'General case' 0 N--CA 1.509 2.493 0 CA-C-N 109.552 -3.477 . . . . 0.0 111.943 176.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.2 m -62.37 -11.47 15.73 Favored 'General case' 0 C--O 1.255 1.381 0 C-N-CA 125.983 1.713 . . . . 0.0 113.159 168.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 63' ' ' LEU 0.258 27.0 m -117.73 16.74 7.26 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.415 0 CA-C-N 120.198 1.363 . . . . 0.0 109.208 175.011 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . 0.302 9.8 p80 47.48 25.23 0.59 Allowed 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 118.329 2.715 . . . . 0.0 118.329 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.402 ' HB3' ' HE1' ' A' ' 32' ' ' MET . 9.3 mp -82.39 -27.25 32.19 Favored 'General case' 0 C--N 1.371 1.526 0 CA-C-O 115.412 -2.233 . . . . 0.0 105.937 160.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.0 t -111.32 161.85 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.254 0 O-C-N 128.1 3.375 . . . . 0.0 110.858 174.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -148.06 140.55 24.45 Favored 'General case' 0 C--O 1.266 1.943 1 O-C-N 129.226 4.079 . . . . 0.0 109.152 178.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.719 ' HB2' ' CE2' ' A' ' 80' ' ' TYR . . . -106.3 162.97 13.21 Favored 'General case' 0 C--N 1.286 -2.18 0 C-N-CA 127.983 2.513 . . . . 0.0 114.174 172.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -140.23 149.47 42.92 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 131.468 3.907 . . . . 0.0 105.293 168.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -80.17 131.41 35.71 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 126.818 2.047 . . . . 0.0 116.278 163.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -126.19 108.49 11.36 Favored 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 119.025 -1.07 . . . . 0.0 110.092 150.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 59.75 -139.37 48.51 Favored Glycine 0 CA--C 1.569 3.442 0 O-C-N 120.808 -1.182 . . . . 0.0 116.045 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -57.98 12.4 0.01 OUTLIER 'General case' 0 CA--C 1.625 3.834 0 N-CA-C 116.245 1.943 . . . . 0.0 116.245 174.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.0 m -151.04 154.93 37.97 Favored 'General case' 0 N--CA 1.503 2.219 0 CA-C-N 123.162 2.71 . . . . 0.0 108.133 -163.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 26.3 mmt -107.04 139.26 41.72 Favored 'General case' 0 N--CA 1.382 -3.84 0 O-C-N 119.872 -1.767 . . . . 0.0 106.933 175.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 48.5 mm -122.87 115.16 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.222 0 CA-C-O 114.745 -2.55 . . . . 0.0 105.822 -171.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.719 ' CE2' ' HB2' ' A' ' 71' ' ' ALA . 77.1 m-85 -110.1 146.37 35.53 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 123.17 2.714 . . . . 0.0 111.145 -158.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.4 m -142.42 165.18 28.11 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 128.224 2.61 . . . . 0.0 113.619 -159.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.67 150.38 12.61 Favored 'General case' 0 N--CA 1.443 -0.777 0 O-C-N 119.789 -1.819 . . . . 0.0 112.821 150.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -73.15 -46.0 53.43 Favored 'General case' 0 CA--C 1.567 1.631 0 C-N-CA 118.76 -1.176 . . . . 0.0 113.464 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -160.48 179.47 8.59 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 130.922 3.689 . . . . 0.0 114.207 176.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.5 tp -64.83 -22.99 32.48 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.199 0 O-C-N 120.318 -1.489 . . . . 0.0 112.999 -170.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -73.35 -47.31 43.37 Favored 'General case' 0 N--CA 1.509 2.487 0 O-C-N 124.418 1.074 . . . . 0.0 108.821 -173.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.84 -38.2 36.31 Favored 'Isoleucine or valine' 0 C--O 1.247 0.953 0 CA-C-N 114.446 -1.252 . . . . 0.0 113.717 171.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.77 1.08 3.56 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 117.72 -3.113 . . . . 0.0 112.987 172.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.1 m -100.92 -41.23 6.9 Favored 'General case' 0 C--O 1.194 -1.844 0 CA-C-N 122.095 2.225 . . . . 0.0 108.934 165.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 29.6 ttp -65.28 -38.5 90.46 Favored 'General case' 0 C--O 1.294 3.41 0 C-N-CA 125.428 1.491 . . . . 0.0 111.008 -167.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.478 HD13 ' HB3' ' A' ' 32' ' ' MET . 7.5 tt -74.15 -47.91 32.8 Favored 'General case' 0 N--CA 1.519 3.016 0 O-C-N 117.238 -3.414 . . . . 0.0 107.687 172.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -51.09 -52.18 46.13 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 117.758 -1.577 . . . . 0.0 111.767 175.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.489 ' HB2' ' HB2' ' B' ' 90' ' ' MET . 31.9 mm-40 -82.86 -3.52 56.95 Favored 'General case' 0 C--O 1.181 -2.513 0 C-N-CA 123.49 0.716 . . . . 0.0 111.598 -168.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -81.17 -47.73 13.05 Favored 'General case' 0 C--N 1.366 1.311 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 153.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.608 HD11 HD22 ' B' ' 13' ' ' LEU . 0.5 OUTLIER -59.26 -18.91 15.04 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.341 0 CA-C-O 126.159 2.885 . . . . 0.0 112.189 178.464 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -31.68 28.91 Favored 'General case' 0 N--CA 1.514 2.765 0 C-N-CA 127.595 2.358 . . . . 0.0 115.579 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -82.65 -7.5 59.64 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 117.355 2.354 . . . . 0.0 117.355 168.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.31 -51.6 68.84 Favored 'General case' 0 C--O 1.197 -1.685 0 CA-C-O 115.495 -2.193 . . . . 0.0 110.796 -173.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -128.51 156.29 43.5 Favored 'General case' 0 CA--C 1.565 1.552 0 N-CA-C 118.332 2.715 . . . . 0.0 118.332 163.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -125.7 72.36 68.24 Favored Pre-proline 0 CA--C 1.601 2.906 0 CA-C-N 112.916 -1.947 . . . . 0.0 114.712 165.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -82.57 175.21 9.06 Favored 'Trans proline' 0 N--CA 1.509 2.431 0 N-CA-C 108.743 -1.291 . . . . 0.0 108.743 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -66.43 113.48 4.71 Favored 'General case' 0 C--N 1.369 1.421 0 O-C-N 119.653 -1.904 . . . . 0.0 114.073 164.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . 0.417 16.5 pt-20 . . . . . 0 CA--C 1.479 -1.76 0 C-N-CA 127.781 2.432 . . . . 0.0 116.218 -166.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 . . . . . 0 N--CA 1.517 2.921 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.445 ' C ' ' H ' ' B' ' 12' ' ' THR . 12.3 p -137.89 -15.36 1.35 Allowed 'General case' 0 C--O 1.258 1.539 0 N-CA-C 117.533 2.42 . . . . 0.0 117.533 -170.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 54.67 -24.85 0.01 OUTLIER 'General case' 0 CA--C 1.585 2.305 0 CA-C-O 115.766 -2.064 . . . . 0.0 114.827 -164.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.445 ' H ' ' C ' ' B' ' 10' ' ' THR . 40.8 p -122.03 -67.95 0.93 Allowed 'General case' 0 N--CA 1.424 -1.767 0 N-CA-C 105.063 -2.199 . . . . 0.0 105.063 -161.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.608 HD22 HD11 ' A' ' 95' ' ' ILE . 0.3 OUTLIER -54.96 -55.08 34.68 Favored 'General case' 1 C--O 1.134 -4.994 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -175.017 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -70.21 9.52 0.57 Allowed 'General case' 0 N--CA 1.515 2.808 0 O-C-N 124.778 1.299 . . . . 0.0 113.343 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -132.27 -11.49 3.23 Favored 'General case' 0 C--N 1.36 1.043 0 CA-C-O 114.787 -2.53 . . . . 0.0 111.853 175.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.441 HG11 HD12 ' A' ' 95' ' ' ILE 0.28 2.2 m -81.39 -14.49 12.53 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.664 0 N-CA-C 118.008 2.596 . . . . 0.0 118.008 149.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . 0.262 18.9 p -54.74 -43.36 72.6 Favored 'General case' 0 N--CA 1.516 2.848 0 N-CA-C 104.587 -2.375 . . . . 0.0 104.587 177.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -48.54 -37.88 18.95 Favored 'General case' 0 C--O 1.208 -1.115 0 C-N-CA 126.716 2.006 . . . . 0.0 115.391 168.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.438 HG23 HD21 ' B' ' 68' ' ' LEU . 19.3 mt -93.31 -44.19 13.71 Favored 'Isoleucine or valine' 0 C--O 1.267 2.009 0 CA-C-N 121.239 1.836 . . . . 0.0 108.88 -168.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . 0.256 1.5 m-30 -80.68 0.75 33.0 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 126.227 2.204 . . . . 0.0 108.779 -162.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -108.33 -27.43 9.99 Favored 'General case' 0 C--N 1.289 -2.049 0 N-CA-C 116.508 2.04 . . . . 0.0 116.508 155.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . 0.307 . . -69.03 -18.92 64.09 Favored 'General case' 0 N--CA 1.534 3.76 1 O-C-N 116.243 -4.036 . . . . 0.0 114.24 172.51 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' B' ' 19' ' ' ILE . 34.7 mt -58.25 -17.63 20.66 Favored 'General case' 0 N--CA 1.512 2.626 0 C-N-CA 126.277 1.831 . . . . 0.0 115.592 162.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.95 25.48 0.09 OUTLIER Glycine 0 N--CA 1.505 3.296 0 C-N-CA 129.852 3.596 . . . . 0.0 117.093 -166.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -145.13 123.99 12.68 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 123.454 3.627 . . . . 0.0 113.706 165.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -44.29 -38.39 3.84 Favored 'General case' 0 N--CA 1.513 2.724 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 171.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -56.65 -47.19 80.31 Favored 'General case' 0 N--CA 1.412 -2.365 0 CA-C-N 121.288 1.858 . . . . 0.0 111.53 171.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -66.15 -15.41 63.1 Favored 'General case' 0 N--CA 1.521 3.076 0 O-C-N 125.651 1.844 . . . . 0.0 109.149 -172.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 20.8 mm -107.28 -42.82 6.4 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.991 0 O-C-N 120.755 -1.216 . . . . 0.0 111.511 -169.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 62.7 ttt-85 -62.31 -23.28 66.65 Favored 'General case' 0 CA--C 1.586 2.35 0 CA-C-N 113.929 -1.487 . . . . 0.0 113.249 168.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.415 ' HA ' HD21 ' B' ' 49' ' ' LEU . 52.1 mt -68.69 -72.03 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.259 1.584 0 O-C-N 127.965 3.291 . . . . 0.0 110.299 162.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . 0.42 ' HB3' HD13 ' B' ' 91' ' ' LEU . 45.4 mtm -65.22 -34.64 78.86 Favored 'General case' 0 C--O 1.192 -1.965 0 CA-C-N 122.253 2.297 . . . . 0.0 113.213 -169.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -33.54 -56.56 0.44 Allowed 'General case' 0 CA--C 1.602 2.954 0 CA-C-N 122.568 2.44 . . . . 0.0 114.818 153.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.516 HD13 ' C ' ' B' ' 34' ' ' LEU . 0.3 OUTLIER -67.39 -44.14 79.62 Favored 'General case' 0 CA--C 1.574 1.89 0 CA-C-O 123.27 1.51 . . . . 0.0 109.545 -177.451 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.504 ' CD2' ' H ' ' B' ' 40' ' ' ALA . 87.2 mt -66.51 -18.69 65.5 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 127.483 3.516 . . . . 0.0 116.679 -175.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . 0.412 ' OG ' ' HE3' ' B' ' 92' ' ' LYS . 2.1 p -70.15 -18.75 63.23 Favored 'General case' 0 C--O 1.265 1.913 0 CA-C-N 109.288 -3.597 . . . . 0.0 114.103 169.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 12.3 m -119.49 -32.13 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.572 1.811 0 CA-C-N 121.495 1.952 . . . . 0.0 112.831 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -158.49 127.4 5.53 Favored 'General case' 0 CA--C 1.469 -2.15 0 CA-C-O 125.269 2.462 . . . . 0.0 113.451 154.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -61.99 152.81 31.29 Favored 'General case' 0 CA--C 1.583 2.241 0 O-C-N 116.904 -3.622 . . . . 0.0 112.632 -170.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.504 ' H ' ' CD2' ' B' ' 35' ' ' LEU . . . -160.68 166.05 29.47 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 122.688 2.495 . . . . 0.0 115.458 160.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 38.7 t -92.13 157.88 16.49 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 117.622 2.452 . . . . 0.0 117.622 175.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.541 ' HA ' HG11 ' B' ' 56' ' ' VAL . 59.4 t -24.74 -56.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.506 2.35 0 N-CA-C 117.682 2.475 . . . . 0.0 117.682 175.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.64 -52.89 42.41 Favored Glycine 0 C--O 1.186 -2.892 0 CA-C-O 117.661 -1.633 . . . . 0.0 110.731 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -77.56 -38.88 47.59 Favored 'General case' 0 N--CA 1.421 -1.89 0 N-CA-C 116.528 2.048 . . . . 0.0 116.528 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.652 HG23 HD13 ' B' ' 49' ' ' LEU . 66.5 mt -47.01 -49.9 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 CA-C-O 122.219 1.009 . . . . 0.0 108.651 170.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -47.11 -38.68 11.85 Favored 'General case' 0 C--O 1.278 2.596 0 CA-C-O 125.739 2.685 . . . . 0.0 115.017 173.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -79.89 -54.36 5.89 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 119.638 -1.914 . . . . 0.0 108.078 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -61.8 -21.38 64.54 Favored 'General case' 0 N--CA 1.504 2.239 0 C-N-CA 129.139 2.976 . . . . 0.0 116.925 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.652 HD13 HG23 ' B' ' 45' ' ' ILE . 7.9 mp -121.05 -0.03 10.1 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 120.879 1.672 . . . . 0.0 113.106 176.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . 0.258 13.0 m120 59.49 55.89 3.94 Favored 'General case' 0 CA--C 1.585 2.301 0 C-N-CA 126.763 2.025 . . . . 0.0 113.978 -171.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 65.4 mt -126.42 176.19 7.32 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.779 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 25.8 p -110.6 146.57 35.89 Favored 'General case' 0 C--O 1.254 1.324 0 O-C-N 120.709 -1.244 . . . . 0.0 112.769 -177.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -58.73 -32.89 69.63 Favored 'General case' 0 N--CA 1.423 -1.807 1 O-C-N 115.755 -4.34 . . . . 0.0 114.033 -174.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 89.9 p -63.34 -36.98 85.5 Favored 'General case' 0 N--CA 1.521 3.107 0 N-CA-C 120.283 3.438 . . . . 0.0 120.283 160.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -83.22 -31.23 27.14 Favored 'General case' 0 N--CA 1.528 3.452 0 O-C-N 120.686 -1.259 . . . . 0.0 112.248 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.541 HG11 ' HA ' ' B' ' 42' ' ' VAL . 95.7 t -74.23 -35.61 40.92 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.572 0 CA-C-O 116.79 -1.576 . . . . 0.0 111.197 170.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 68.0 m -58.16 -1.85 0.15 Allowed 'General case' 0 C--N 1.396 2.593 0 CA-C-N 124.793 3.451 . . . . 0.0 113.21 169.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -112.22 -39.24 4.5 Favored 'General case' 0 C--O 1.264 1.826 0 C-N-CA 126.703 2.001 . . . . 0.0 110.678 175.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -79.14 -50.1 11.55 Favored 'General case' 0 C--O 1.244 0.773 0 O-C-N 120.196 -1.565 . . . . 0.0 107.65 -171.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.53 HD13 HD13 ' B' ' 45' ' ' ILE . 5.7 tp -59.69 -45.27 92.62 Favored 'General case' 0 C--N 1.281 -2.379 0 CA-C-O 115.792 -2.051 . . . . 0.0 110.859 169.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -41.47 85.14 Favored 'General case' 0 C--O 1.204 -1.315 0 CA-C-N 121.612 2.005 . . . . 0.0 109.055 -176.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.611 ' C ' HD13 ' B' ' 62' ' ' LEU . 0.8 OUTLIER -60.02 -53.0 62.99 Favored 'General case' 0 C--N 1.282 -2.349 0 CA-C-N 122.044 2.202 . . . . 0.0 111.579 175.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 34.6 mt -58.41 -42.84 88.12 Favored 'General case' 0 N--CA 1.508 2.452 0 CA-C-O 124.983 2.325 . . . . 0.0 107.759 -177.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -56.24 -44.14 79.34 Favored 'General case' 0 CA--C 1.56 1.343 0 CA-C-N 112.965 -1.925 . . . . 0.0 109.99 175.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.6 m -69.85 -27.53 64.92 Favored 'General case' 0 C--O 1.268 2.041 0 CA-C-N 111.827 -2.442 . . . . 0.0 115.964 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 27.5 m -102.59 16.74 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.07 0 O-C-N 121.789 -0.57 . . . . 0.0 111.765 175.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . 0.331 6.2 m80 60.6 14.68 5.11 Favored 'General case' 0 C--O 1.199 -1.577 1 N-CA-C 123.568 4.655 . . . . 0.0 123.568 171.723 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.438 HD21 HG23 ' B' ' 19' ' ' ILE . 3.6 mt -77.95 -30.81 50.6 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-O 124.158 1.933 . . . . 0.0 110.171 171.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 t -108.59 155.91 9.37 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.473 0 C-N-CA 127.581 2.352 . . . . 0.0 111.097 173.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -129.68 135.75 48.88 Favored 'General case' 0 N--CA 1.527 3.397 0 C-N-CA 128.456 2.702 . . . . 0.0 109.33 172.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.86 135.0 35.07 Favored 'General case' 0 C--O 1.179 -2.639 0 CA-C-O 122.903 1.335 . . . . 0.0 108.792 149.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -127.58 147.8 50.35 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-O 122.987 1.375 . . . . 0.0 108.664 169.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' B' ' 73' ' ' ARG . 53.4 mtt-85 -98.58 127.38 44.49 Favored 'General case' 0 N--CA 1.518 2.969 1 O-C-N 116.007 -4.183 . . . . 0.0 107.892 -167.826 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -163.35 133.9 4.53 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 128.559 2.744 . . . . 0.0 106.651 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.32 -143.84 45.02 Favored Glycine 0 C--O 1.295 3.929 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 172.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . 0.272 23.9 mp0 -95.3 -19.53 19.91 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 118.52 -2.753 . . . . 0.0 115.003 -173.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 86.0 p -112.78 -179.91 3.79 Favored 'General case' 0 C--N 1.312 -1.061 2 O-C-N 115.828 -4.295 . . . . 0.0 111.94 174.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 41.2 mtt -109.03 126.54 53.24 Favored 'General case' 0 N--CA 1.41 -2.44 0 N-CA-C 106.549 -1.648 . . . . 0.0 106.549 175.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 28.3 mm -77.86 145.62 9.62 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.515 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.564 173.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -120.26 137.29 54.31 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 126.993 3.283 . . . . 0.0 108.611 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -138.86 167.89 21.02 Favored 'General case' 0 CA--C 1.569 1.703 0 C-N-CA 127.003 2.121 . . . . 0.0 111.128 -174.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.539 HD13 ' HB2' ' B' ' 88' ' ' ALA . 1.2 mp -64.26 148.24 50.63 Favored 'General case' 0 N--CA 1.429 -1.497 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 163.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -52.99 -53.4 50.52 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 116.058 1.873 . . . . 0.0 116.058 166.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 28.4 p30 -154.63 -179.7 8.23 Favored 'General case' 0 C--N 1.365 1.266 0 CA-C-O 125.893 2.758 . . . . 0.0 115.825 156.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.9 pp -54.89 -22.19 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 CA-C-O 113.822 -2.99 . . . . 0.0 114.504 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 57.9 m170 -50.96 -64.91 0.66 Allowed 'General case' 0 C--O 1.274 2.389 0 CA-C-N 123.237 2.744 . . . . 0.0 109.526 178.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.414 HG23 HD23 ' B' ' 82' ' ' LEU . 4.3 m -77.45 -16.39 14.35 Favored 'Isoleucine or valine' 0 C--N 1.405 2.985 0 C-N-CA 128.764 2.825 . . . . 0.0 109.421 -176.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.539 ' HB2' HD13 ' B' ' 82' ' ' LEU . . . -74.29 -29.52 61.68 Favored 'General case' 0 CA--C 1.591 2.535 1 CA-C-N 126.481 4.218 . . . . 0.0 111.164 162.642 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 31.1 m -79.66 -42.71 24.22 Favored 'General case' 0 N--CA 1.501 2.1 0 C-N-CA 126.842 2.057 . . . . 0.0 107.95 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . 0.489 ' HB2' ' HB2' ' A' ' 93' ' ' GLN 0.412 3.2 tmm? -56.8 -51.79 67.58 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-O 115.657 -2.116 . . . . 0.0 114.855 163.277 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.42 HD13 ' HB3' ' B' ' 32' ' ' MET . 7.4 tt -62.7 -39.86 95.35 Favored 'General case' 0 CA--C 1.468 -2.193 0 N-CA-C 117.635 2.457 . . . . 0.0 117.635 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.412 ' HE3' ' OG ' ' B' ' 36' ' ' SER . 52.8 mttt -59.95 -44.25 94.5 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 117.574 -1.203 . . . . 0.0 111.848 177.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -71.71 -20.89 61.85 Favored 'General case' 0 N--CA 1.502 2.136 0 N-CA-C 118.281 2.697 . . . . 0.0 118.281 173.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' B' ' 91' ' ' LEU . . . -62.94 -50.77 69.52 Favored 'General case' 0 CA--C 1.57 1.729 1 C-N-CA 134.767 5.227 . . . . 0.0 109.866 162.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.411 HD13 HG11 ' A' ' 16' ' ' VAL . 4.0 mm -66.4 -36.3 77.0 Favored 'Isoleucine or valine' 0 N--CA 1.53 3.55 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 174.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -65.4 -38.76 90.93 Favored 'General case' 0 CA--C 1.575 1.919 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -176.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -71.25 -11.61 61.01 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 119.728 -0.789 . . . . 0.0 112.621 177.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -102.26 -29.85 11.44 Favored 'General case' 0 N--CA 1.51 2.571 0 C-N-CA 128.065 2.546 . . . . 0.0 108.728 -175.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -110.52 74.76 0.89 Allowed 'General case' 0 C--N 1.355 0.83 0 C-N-CA 130.928 3.691 . . . . 0.0 112.691 177.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -82.1 130.61 59.43 Favored Pre-proline 0 CA--C 1.579 2.066 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . 0.282 25.7 Cg_exo -59.37 -25.24 77.77 Favored 'Trans proline' 0 N--CA 1.493 1.472 1 C-N-CA 129.002 6.468 . . . . 0.0 109.759 -176.028 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -131.84 152.33 51.08 Favored 'General case' 0 CA--C 1.58 2.129 0 C-N-CA 127.782 2.433 . . . . 0.0 108.259 168.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 . . . . . 0 N--CA 1.534 3.756 0 C-N-CA 128.169 2.588 . . . . 0.0 111.114 169.021 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_