data_1oo4_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 1oo4 _Structure_validation_residue.Date_analyzed 2016-10-06 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 full ' A' A ' 1' ' ' GLY . . . . . 0.652 ' N ' ' HD2' ' A' ' 10' ' ' ASP . . . . . . . . 0 N--CA 1.486 1.995 0 N-CA-C 117.068 1.587 . . . . 0.0 117.068 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -159.5 -70.77 0.08 Allowed 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 124.064 0.946 . . . . 0.0 108.52 168.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -105.16 178.76 4.47 Favored 'General case' 0 CA--C 1.577 2.012 0 CA-C-O 121.914 0.864 . . . . 0.0 110.497 166.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -76.15 73.3 2.99 Favored 'General case' 0 CA--C 1.574 1.869 0 O-C-N 120.314 -1.492 . . . . 0.0 113.735 -175.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -147.81 -46.43 0.16 Allowed 'General case' 0 CA--C 1.571 1.785 0 C-N-CA 124.392 1.077 . . . . 0.0 112.819 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.0 mpp? 68.98 74.51 0.25 Allowed 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 115.303 1.594 . . . . 0.0 115.303 165.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.9 m -166.03 88.65 0.39 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.923 -1.111 . . . . 0.0 111.074 168.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.09 -73.54 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 123.59 0.756 . . . . 0.0 109.452 156.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -36.69 68.37 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 160.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.652 ' HD2' ' N ' ' A' ' 1' ' ' GLY . 18.5 p-10 -119.33 75.4 1.05 Allowed 'General case' 0 CA--C 1.563 1.481 0 C-N-CA 125.295 1.438 . . . . 0.0 109.895 171.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.486 ' H ' ' HB2' ' A' ' 14' ' ' TYR . . . -92.87 -108.02 0.11 Allowed 'General case' 0 CA--C 1.566 1.59 0 CA-C-O 118.665 -0.683 . . . . 0.0 112.077 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.5 mp0 -94.94 -76.51 0.49 Allowed 'General case' 0 N--CA 1.496 1.834 0 CA-C-N 120.379 1.445 . . . . 0.0 110.367 -175.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 48.6 p90 -79.2 6.14 10.48 Favored 'General case' 0 CA--C 1.571 1.753 0 N-CA-C 117.608 2.447 . . . . 0.0 117.608 167.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.486 ' HB2' ' H ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -86.71 80.65 8.47 Favored 'General case' 0 CA--C 1.564 1.497 0 CA-C-N 120.705 1.593 . . . . 0.0 111.795 -165.412 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -89.43 -61.82 1.61 Allowed 'General case' 0 CA--C 1.565 1.526 0 N-CA-C 115.781 1.771 . . . . 0.0 115.781 -172.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.14 49.54 26.62 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 117.09 1.596 . . . . 0.0 117.09 -169.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -133.44 60.65 1.7 Allowed 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 122.929 1.347 . . . . 0.0 110.697 165.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -151.53 119.59 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 105.917 -1.883 . . . . 0.0 105.917 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.7 t -106.8 -171.55 1.91 Allowed 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -59.91 -53.57 56.33 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 115.791 1.775 . . . . 0.0 115.791 -157.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -69.42 -42.08 75.5 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 173.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -70.22 -33.71 72.01 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.314 2.0 p -61.27 -55.54 23.85 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.848 0 CA-C-N 120.726 1.603 . . . . 0.0 112.632 161.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -46.34 -40.93 12.66 Favored 'General case' 0 N--CA 1.501 2.121 0 N-CA-C 118.747 2.869 . . . . 0.0 118.747 172.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -52.42 -19.63 2.31 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 172.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -140.79 69.3 1.34 Allowed 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 119.886 1.221 . . . . 0.0 108.634 172.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.0 tp -160.39 -107.71 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.883 -1.135 . . . . 0.0 112.72 -165.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.96 -11.03 33.88 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 120.718 3.599 . . . . 0.0 120.718 -155.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -75.5 -50.68 14.96 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 170.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.7 t -78.13 -33.82 50.22 Favored 'General case' 0 CA--C 1.573 1.853 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 166.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.49 118.34 9.97 Favored 'General case' 0 CA--C 1.559 1.298 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -164.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -130.36 41.3 3.41 Favored 'General case' 0 CA--C 1.573 1.856 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.78 0.91 11.94 Favored Glycine 0 N--CA 1.498 2.777 0 N-CA-C 119.508 2.563 . . . . 0.0 119.508 -164.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.0 t -60.62 124.14 19.52 Favored 'General case' 0 N--CA 1.506 2.337 0 CA-C-N 120.123 1.962 . . . . 0.0 113.226 165.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . 0.264 1.9 p90 -115.44 126.21 54.06 Favored 'General case' 0 N--CA 1.499 1.989 0 CA-C-O 121.638 0.733 . . . . 0.0 112.79 -176.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -152.29 150.24 29.55 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.927 0.891 . . . . 0.0 110.351 -161.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.438 ' CG2' ' HA ' ' A' ' 14' ' ' TYR 0.251 36.7 t -101.92 107.17 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.098 0 O-C-N 119.512 -1.992 . . . . 0.0 110.845 -158.093 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.56 135.28 43.34 Favored 'General case' 0 CA--C 1.566 1.567 0 C-N-CA 123.54 0.736 . . . . 0.0 112.461 -164.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -69.11 126.29 29.33 Favored 'General case' 0 CA--C 1.572 1.8 0 O-C-N 120.477 -1.389 . . . . 0.0 113.123 169.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.96 164.24 11.83 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 165.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.56 110.66 4.37 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 164.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.9 m -154.21 -68.28 0.14 Allowed 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.118 -1.613 . . . . 0.0 109.238 -174.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -80.06 78.39 6.7 Favored 'General case' 0 CA--C 1.572 1.802 0 CA-C-N 119.727 1.149 . . . . 0.0 109.738 161.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . 0.375 22.3 ttt 62.84 -102.16 0.11 Allowed 'General case' 0 CA--C 1.573 1.863 0 C-N-CA 124.408 1.083 . . . . 0.0 113.478 -164.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -129.46 115.1 16.98 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 118.958 0.799 . . . . 0.0 109.725 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -105.96 73.29 0.22 Allowed Glycine 0 N--CA 1.485 1.926 0 O-C-N 121.996 -0.44 . . . . 0.0 113.701 -177.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -55.22 -39.1 69.28 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 117.219 2.303 . . . . 0.0 117.219 -173.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -110.25 63.55 0.61 Allowed 'General case' 0 CA--C 1.566 1.585 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -176.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.6 t -91.49 148.69 22.12 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.491 -1.381 . . . . 0.0 109.409 152.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.5 tt -98.41 146.63 25.53 Favored 'General case' 0 N--CA 1.484 1.259 0 O-C-N 120.422 -1.424 . . . . 0.0 109.562 168.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.8 m -126.35 120.32 29.56 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 119.789 -1.819 . . . . 0.0 110.059 173.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.58 142.57 36.03 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 158.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -116.45 128.51 55.54 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-O 122.376 1.084 . . . . 0.0 110.491 171.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -103.14 126.92 50.54 Favored 'General case' 0 CA--C 1.562 1.419 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 162.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -66.85 81.61 0.12 Allowed Glycine 0 N--CA 1.494 2.551 0 N-CA-C 116.098 1.199 . . . . 0.0 116.098 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.79 -85.27 0.12 Allowed Glycine 0 N--CA 1.481 1.646 0 N-CA-C 108.353 -1.899 . . . . 0.0 108.353 -163.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -93.39 98.95 11.56 Favored 'General case' 0 CA--C 1.563 1.457 0 CA-C-O 122.227 1.013 . . . . 0.0 110.028 162.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -97.23 110.34 22.91 Favored 'General case' 0 CA--C 1.558 1.266 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -156.03 113.0 3.19 Favored 'General case' 0 CA--C 1.564 1.487 0 O-C-N 120.853 -1.155 . . . . 0.0 112.136 -155.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.1 m -64.07 173.63 1.84 Allowed 'General case' 0 CA--C 1.575 1.942 0 N-CA-C 117.421 2.378 . . . . 0.0 117.421 174.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.3 tt -153.91 119.22 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.912 0 C-N-CA 124.184 0.994 . . . . 0.0 109.741 -162.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -68.79 149.53 48.88 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 119.903 -1.748 . . . . 0.0 114.7 177.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . 0.306 44.3 mm -104.14 -99.04 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 CA-C-O 117.07 -1.443 . . . . 0.0 108.181 168.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . 0.307 3.1 t80 97.11 127.85 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.307 0 CA-C-N 120.892 1.678 . . . . 0.0 110.473 -159.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -67.98 95.55 0.55 Allowed 'General case' 0 CA--C 1.577 2.0 0 O-C-N 120.078 -1.639 . . . . 0.0 113.656 177.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . 0.269 94.4 mtt180 69.02 58.87 0.36 Allowed 'General case' 0 N--CA 1.502 2.153 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 167.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -146.96 88.55 1.75 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.09 -1.006 . . . . 0.0 110.139 -172.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -176.68 -46.61 0.06 OUTLIER Glycine 0 N--CA 1.493 2.47 0 N-CA-C 116.311 1.285 . . . . 0.0 116.311 -172.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.293 21.3 ttpp 74.34 79.35 0.12 Allowed 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 159.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -135.97 99.02 4.03 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.207 0.527 . . . . 0.0 111.461 -174.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 155.3 175.69 26.63 Favored Glycine 0 CA--C 1.546 1.987 0 CA-C-O 122.07 0.817 . . . . 0.0 114.058 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -69.7 89.65 0.56 Allowed 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 121.947 0.88 . . . . 0.0 112.888 -173.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.3 m -102.28 75.96 1.53 Allowed 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -158.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -118.61 -76.37 0.57 Allowed 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 123.265 0.626 . . . . 0.0 110.063 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.0 m -80.24 -56.54 4.14 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 177.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.93 103.54 15.86 Favored 'General case' 0 CA--C 1.564 1.501 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 165.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 51.9 p -82.3 139.57 34.09 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.905 0.86 . . . . 0.0 112.149 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -95.77 133.84 39.41 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.453 -0.779 . . . . 0.0 110.076 -171.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -143.68 89.2 2.04 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 170.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.2 m -149.61 113.5 5.1 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 120.452 -1.405 . . . . 0.0 109.956 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.3 p -53.16 -39.43 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 N-CA-C 115.993 1.849 . . . . 0.0 115.993 168.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 26.1 m -66.88 -28.56 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 CA-C-O 116.073 -1.917 . . . . 0.0 115.752 170.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -64.53 -43.97 92.35 Favored 'General case' 0 N--CA 1.503 2.213 0 CA-C-N 123.943 3.065 . . . . 0.0 115.595 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.3 pp -54.07 -44.78 71.41 Favored 'General case' 0 N--CA 1.5 2.066 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 161.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.8 mt -70.33 -50.64 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.124 0 C-N-CA 123.422 0.689 . . . . 0.0 111.281 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -52.81 -40.23 63.08 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 116.956 2.206 . . . . 0.0 116.956 174.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -47.49 -45.15 26.03 Favored 'General case' 0 CA--C 1.576 1.958 0 N-CA-C 116.22 1.933 . . . . 0.0 116.22 162.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -88.36 -18.5 28.29 Favored 'General case' 0 CA--C 1.576 1.979 0 N-CA-C 116.432 2.012 . . . . 0.0 116.432 174.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -67.99 -22.99 64.97 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-N 120.843 1.656 . . . . 0.0 114.81 157.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.04 -11.42 13.7 Favored 'General case' 0 CA--C 1.574 1.885 0 N-CA-C 117.672 2.471 . . . . 0.0 117.672 161.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.63 -89.77 0.07 Allowed 'General case' 0 CA--C 1.558 1.252 0 CA-C-N 119.363 0.983 . . . . 0.0 110.66 -175.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.7 p -152.47 106.81 3.15 Favored 'General case' 0 CA--C 1.562 1.404 0 C-N-CA 123.253 0.621 . . . . 0.0 110.575 -168.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.7 mp -63.92 -18.82 64.6 Favored 'General case' 0 N--CA 1.505 2.32 0 N-CA-C 117.819 2.526 . . . . 0.0 117.819 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.45 -25.86 68.19 Favored 'General case' 0 CA--C 1.575 1.938 0 N-CA-C 116.827 2.158 . . . . 0.0 116.827 163.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -73.25 -17.76 61.3 Favored 'General case' 0 CA--C 1.572 1.822 0 N-CA-C 115.524 1.676 . . . . 0.0 115.524 163.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -68.38 -66.23 0.6 Allowed 'General case' 0 CA--C 1.572 1.802 0 CA-C-N 119.869 1.213 . . . . 0.0 112.259 162.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.1 t30 167.67 -61.87 0.0 OUTLIER Pre-proline 0 CA--C 1.578 2.048 0 C-N-CA 126.212 1.805 . . . . 0.0 107.366 -164.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -58.04 118.89 5.84 Favored 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 123.427 2.751 . . . . 0.0 116.146 174.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.31 71.78 1.25 Allowed 'General case' 0 CA--C 1.574 1.886 0 CA-C-O 123.007 1.384 . . . . 0.0 114.02 -178.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 45.5 mt -101.54 -50.08 3.84 Favored 'General case' 0 CA--C 1.572 1.817 0 C-N-CA 124.899 1.279 . . . . 0.0 111.404 169.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.258 22.5 t70 58.83 63.34 1.67 Allowed 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 125.298 1.439 . . . . 0.0 114.574 -171.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 25.0 m -141.73 147.5 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 CA-C-O 121.965 0.888 . . . . 0.0 112.127 -169.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -100.95 165.09 11.51 Favored 'General case' 0 CA--C 1.575 1.928 0 CA-C-O 122.024 0.916 . . . . 0.0 110.814 162.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.9 114.59 2.88 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.588 -1.32 . . . . 0.0 113.406 167.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.41 -78.48 0.44 Allowed 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.688 0.795 . . . . 0.0 110.247 172.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -158.36 133.91 5.9 Favored Pre-proline 0 CA--C 1.571 1.762 0 CA-C-O 117.687 -1.149 . . . . 0.0 110.315 -176.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -81.93 138.92 10.61 Favored 'Trans proline' 0 CA--C 1.561 1.828 0 C-N-CA 122.552 2.168 . . . . 0.0 114.375 171.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 95.1 t -80.85 86.78 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.885 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 171.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 87.0 p -89.31 109.26 20.17 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.532 0.733 . . . . 0.0 112.147 -171.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . 0.299 70.6 tttt 62.02 39.2 13.51 Favored 'General case' 0 CA--C 1.579 2.064 0 N-CA-C 116.151 1.908 . . . . 0.0 116.151 -171.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . 0.277 24.7 t80 . . . . . 0 N--CA 1.486 1.356 0 C-N-CA 125.309 1.444 . . . . 0.0 113.586 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 182' ' ' SER . . . . . . . . . . . . . 75.3 m . . . . . 0 N--CA 1.484 1.249 0 CA-C-O 121.726 0.774 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 183' ' ' VAL . . . . . . . . . . . . 0.357 94.5 t -84.66 77.63 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 CA-C-O 122.529 1.157 . . . . 0.0 112.669 -169.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.02 -90.81 0.1 Allowed 'General case' 0 N--CA 1.484 1.264 0 CA-C-O 117.559 -1.21 . . . . 0.0 109.718 153.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 185' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 186' ' ' VAL . . . . . . . . . . . . . 62.7 t -138.27 101.13 8.41 Favored Pre-proline 0 CA--C 1.577 1.991 0 N-CA-C 105.951 -1.87 . . . . 0.0 105.951 173.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 187' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -82.11 83.28 2.1 Favored 'Trans proline' 0 CA--C 1.568 2.179 0 CA-C-N 123.145 2.159 . . . . 0.0 115.343 -169.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 188' ' ' MET . . . . . . . . . . . . . 55.0 mtm -80.03 -53.28 6.87 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 117.403 2.371 . . . . 0.0 117.403 -169.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . 0.311 0.3 OUTLIER . . . . . 0 N--CA 1.507 2.385 0 CA-C-N 121.348 1.885 . . . . 0.0 112.89 -173.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.995 0 N-CA-C 117.068 1.587 . . . . 0.0 117.068 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -159.5 -70.77 0.08 Allowed 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 124.064 0.946 . . . . 0.0 108.52 168.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -105.16 178.76 4.47 Favored 'General case' 0 CA--C 1.577 2.012 0 CA-C-O 121.914 0.864 . . . . 0.0 110.497 166.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -76.15 73.3 2.99 Favored 'General case' 0 CA--C 1.574 1.869 0 O-C-N 120.314 -1.492 . . . . 0.0 113.735 -175.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -147.81 -46.43 0.16 Allowed 'General case' 0 CA--C 1.571 1.785 0 C-N-CA 124.392 1.077 . . . . 0.0 112.819 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.0 mpp? 68.98 74.51 0.25 Allowed 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 115.303 1.594 . . . . 0.0 115.303 165.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.9 m -166.03 88.65 0.39 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.923 -1.111 . . . . 0.0 111.074 168.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.09 -73.54 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 123.59 0.756 . . . . 0.0 109.452 156.175 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -36.69 68.37 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 160.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -119.33 75.4 1.05 Allowed 'General case' 0 CA--C 1.563 1.481 0 C-N-CA 125.295 1.438 . . . . 0.0 109.895 171.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.518 ' H ' ' HB2' ' A' ' 14' ' ' TYR . . . -92.87 -108.02 0.11 Allowed 'General case' 0 CA--C 1.566 1.59 0 CA-C-O 118.665 -0.683 . . . . 0.0 112.077 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.5 mp0 -94.94 -76.51 0.49 Allowed 'General case' 0 N--CA 1.496 1.834 0 CA-C-N 120.379 1.445 . . . . 0.0 110.367 -175.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 48.6 p90 -79.2 6.14 10.48 Favored 'General case' 0 CA--C 1.571 1.753 0 N-CA-C 117.608 2.447 . . . . 0.0 117.608 167.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.698 ' HA ' HG21 ' A' ' 37' ' ' VAL . 0.5 OUTLIER -86.71 80.65 8.47 Favored 'General case' 0 CA--C 1.564 1.497 0 CA-C-N 120.705 1.593 . . . . 0.0 111.795 -165.412 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -89.43 -61.82 1.61 Allowed 'General case' 0 CA--C 1.565 1.526 0 N-CA-C 115.781 1.771 . . . . 0.0 115.781 -172.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.14 49.54 26.62 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 117.09 1.596 . . . . 0.0 117.09 -169.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -133.44 60.65 1.7 Allowed 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 122.929 1.347 . . . . 0.0 110.697 165.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -151.53 119.59 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 105.917 -1.883 . . . . 0.0 105.917 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.7 t -106.8 -171.55 1.91 Allowed 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -59.91 -53.57 56.33 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 115.791 1.775 . . . . 0.0 115.791 -157.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -69.42 -42.08 75.5 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 173.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -70.22 -33.71 72.01 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.314 2.0 p -61.27 -55.54 23.85 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.848 0 CA-C-N 120.726 1.603 . . . . 0.0 112.632 161.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -46.34 -40.93 12.66 Favored 'General case' 0 N--CA 1.501 2.121 0 N-CA-C 118.747 2.869 . . . . 0.0 118.747 172.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -52.42 -19.63 2.31 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 172.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -140.79 69.3 1.34 Allowed 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 119.886 1.221 . . . . 0.0 108.634 172.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.0 tp -160.39 -107.71 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.883 -1.135 . . . . 0.0 112.72 -165.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.96 -11.03 33.88 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 120.718 3.599 . . . . 0.0 120.718 -155.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -75.5 -50.68 14.96 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 170.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.7 t -78.13 -33.82 50.22 Favored 'General case' 0 CA--C 1.573 1.853 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 166.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.49 118.34 9.97 Favored 'General case' 0 CA--C 1.559 1.298 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -164.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -130.36 41.3 3.41 Favored 'General case' 0 CA--C 1.573 1.856 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.78 0.91 11.94 Favored Glycine 0 N--CA 1.498 2.777 0 N-CA-C 119.508 2.563 . . . . 0.0 119.508 -164.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.0 t -60.62 124.14 19.52 Favored 'General case' 0 N--CA 1.506 2.337 0 CA-C-N 120.123 1.962 . . . . 0.0 113.226 165.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . 0.264 1.9 p90 -115.44 126.21 54.06 Favored 'General case' 0 N--CA 1.499 1.989 0 CA-C-O 121.638 0.733 . . . . 0.0 112.79 -176.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -152.29 150.24 29.55 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.927 0.891 . . . . 0.0 110.351 -161.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.698 HG21 ' HA ' ' A' ' 14' ' ' TYR 0.251 36.7 t -101.92 107.17 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.098 0 O-C-N 119.512 -1.992 . . . . 0.0 110.845 -158.093 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.56 135.28 43.34 Favored 'General case' 0 CA--C 1.566 1.567 0 C-N-CA 123.54 0.736 . . . . 0.0 112.461 -164.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -69.11 126.29 29.33 Favored 'General case' 0 CA--C 1.572 1.8 0 O-C-N 120.477 -1.389 . . . . 0.0 113.123 169.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.96 164.24 11.83 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 165.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.56 110.66 4.37 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 164.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.9 m -154.21 -68.28 0.14 Allowed 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.118 -1.613 . . . . 0.0 109.238 -174.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -80.06 78.39 6.7 Favored 'General case' 0 CA--C 1.572 1.802 0 CA-C-N 119.727 1.149 . . . . 0.0 109.738 161.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . 0.375 22.3 ttt 62.84 -102.16 0.11 Allowed 'General case' 0 CA--C 1.573 1.863 0 C-N-CA 124.408 1.083 . . . . 0.0 113.478 -164.085 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -129.46 115.1 16.98 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 118.958 0.799 . . . . 0.0 109.725 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -105.96 73.29 0.22 Allowed Glycine 0 N--CA 1.485 1.926 0 O-C-N 121.996 -0.44 . . . . 0.0 113.701 -177.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -55.22 -39.1 69.28 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 117.219 2.303 . . . . 0.0 117.219 -173.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -110.25 63.55 0.61 Allowed 'General case' 0 CA--C 1.566 1.585 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -176.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.6 t -91.49 148.69 22.12 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.491 -1.381 . . . . 0.0 109.409 152.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.405 HD13 HD11 ' A' ' 63' ' ' ILE . 6.5 tt -98.41 146.63 25.53 Favored 'General case' 0 N--CA 1.484 1.259 0 O-C-N 120.422 -1.424 . . . . 0.0 109.562 168.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.8 m -126.35 120.32 29.56 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 119.789 -1.819 . . . . 0.0 110.059 173.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.58 142.57 36.03 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 158.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -116.45 128.51 55.54 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-O 122.376 1.084 . . . . 0.0 110.491 171.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -103.14 126.92 50.54 Favored 'General case' 0 CA--C 1.562 1.419 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 162.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -66.85 81.61 0.12 Allowed Glycine 0 N--CA 1.494 2.551 0 N-CA-C 116.098 1.199 . . . . 0.0 116.098 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.79 -85.27 0.12 Allowed Glycine 0 N--CA 1.481 1.646 0 N-CA-C 108.353 -1.899 . . . . 0.0 108.353 -163.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -93.39 98.95 11.56 Favored 'General case' 0 CA--C 1.563 1.457 0 CA-C-O 122.227 1.013 . . . . 0.0 110.028 162.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -97.23 110.34 22.91 Favored 'General case' 0 CA--C 1.558 1.266 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -156.03 113.0 3.19 Favored 'General case' 0 CA--C 1.564 1.487 0 O-C-N 120.853 -1.155 . . . . 0.0 112.136 -155.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.1 m -64.07 173.63 1.84 Allowed 'General case' 0 CA--C 1.575 1.942 0 N-CA-C 117.421 2.378 . . . . 0.0 117.421 174.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.3 tt -153.91 119.22 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.912 0 C-N-CA 124.184 0.994 . . . . 0.0 109.741 -162.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -68.79 149.53 48.88 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 119.903 -1.748 . . . . 0.0 114.7 177.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.405 HD11 HD13 ' A' ' 50' ' ' LEU 0.306 44.3 mm -104.14 -99.04 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 CA-C-O 117.07 -1.443 . . . . 0.0 108.181 168.557 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . 0.307 3.1 t80 97.11 127.85 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.307 0 CA-C-N 120.892 1.678 . . . . 0.0 110.473 -159.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -67.98 95.55 0.55 Allowed 'General case' 0 CA--C 1.577 2.0 0 O-C-N 120.078 -1.639 . . . . 0.0 113.656 177.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . 0.269 94.4 mtt180 69.02 58.87 0.36 Allowed 'General case' 0 N--CA 1.502 2.153 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 167.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -146.96 88.55 1.75 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.09 -1.006 . . . . 0.0 110.139 -172.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -176.68 -46.61 0.06 OUTLIER Glycine 0 N--CA 1.493 2.47 0 N-CA-C 116.311 1.285 . . . . 0.0 116.311 -172.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.493 ' H ' ' H ' ' A' ' 80' ' ' SER 0.293 21.3 ttpp 74.34 79.35 0.12 Allowed 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 159.864 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -135.97 99.02 4.03 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.207 0.527 . . . . 0.0 111.461 -174.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 155.3 175.69 26.63 Favored Glycine 0 CA--C 1.546 1.987 0 CA-C-O 122.07 0.817 . . . . 0.0 114.058 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -69.7 89.65 0.56 Allowed 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 121.947 0.88 . . . . 0.0 112.888 -173.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.3 m -102.28 75.96 1.53 Allowed 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -158.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -118.61 -76.37 0.57 Allowed 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 123.265 0.626 . . . . 0.0 110.063 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.0 m -80.24 -56.54 4.14 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 177.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.93 103.54 15.86 Favored 'General case' 0 CA--C 1.564 1.501 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 165.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 51.9 p -82.3 139.57 34.09 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.905 0.86 . . . . 0.0 112.149 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -95.77 133.84 39.41 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.453 -0.779 . . . . 0.0 110.076 -171.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -143.68 89.2 2.04 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 170.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.493 ' H ' ' H ' ' A' ' 69' ' ' LYS . 12.2 m -149.61 113.5 5.1 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 120.452 -1.405 . . . . 0.0 109.956 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.3 p -53.16 -39.43 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 N-CA-C 115.993 1.849 . . . . 0.0 115.993 168.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 26.1 m -66.88 -28.56 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 CA-C-O 116.073 -1.917 . . . . 0.0 115.752 170.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -64.53 -43.97 92.35 Favored 'General case' 0 N--CA 1.503 2.213 0 CA-C-N 123.943 3.065 . . . . 0.0 115.595 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.3 pp -54.07 -44.78 71.41 Favored 'General case' 0 N--CA 1.5 2.066 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 161.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.8 mt -70.33 -50.64 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.124 0 C-N-CA 123.422 0.689 . . . . 0.0 111.281 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -52.81 -40.23 63.08 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 116.956 2.206 . . . . 0.0 116.956 174.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -47.49 -45.15 26.03 Favored 'General case' 0 CA--C 1.576 1.958 0 N-CA-C 116.22 1.933 . . . . 0.0 116.22 162.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -88.36 -18.5 28.29 Favored 'General case' 0 CA--C 1.576 1.979 0 N-CA-C 116.432 2.012 . . . . 0.0 116.432 174.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -67.99 -22.99 64.97 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-N 120.843 1.656 . . . . 0.0 114.81 157.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.04 -11.42 13.7 Favored 'General case' 0 CA--C 1.574 1.885 0 N-CA-C 117.672 2.471 . . . . 0.0 117.672 161.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.63 -89.77 0.07 Allowed 'General case' 0 CA--C 1.558 1.252 0 CA-C-N 119.363 0.983 . . . . 0.0 110.66 -175.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.7 p -152.47 106.81 3.15 Favored 'General case' 0 CA--C 1.562 1.404 0 C-N-CA 123.253 0.621 . . . . 0.0 110.575 -168.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.7 mp -63.92 -18.82 64.6 Favored 'General case' 0 N--CA 1.505 2.32 0 N-CA-C 117.819 2.526 . . . . 0.0 117.819 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.45 -25.86 68.19 Favored 'General case' 0 CA--C 1.575 1.938 0 N-CA-C 116.827 2.158 . . . . 0.0 116.827 163.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -73.25 -17.76 61.3 Favored 'General case' 0 CA--C 1.572 1.822 0 N-CA-C 115.524 1.676 . . . . 0.0 115.524 163.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -68.38 -66.23 0.6 Allowed 'General case' 0 CA--C 1.572 1.802 0 CA-C-N 119.869 1.213 . . . . 0.0 112.259 162.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.1 t30 167.67 -61.87 0.0 OUTLIER Pre-proline 0 CA--C 1.578 2.048 0 C-N-CA 126.212 1.805 . . . . 0.0 107.366 -164.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -58.04 118.89 5.84 Favored 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 123.427 2.751 . . . . 0.0 116.146 174.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.31 71.78 1.25 Allowed 'General case' 0 CA--C 1.574 1.886 0 CA-C-O 123.007 1.384 . . . . 0.0 114.02 -178.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 45.5 mt -101.54 -50.08 3.84 Favored 'General case' 0 CA--C 1.572 1.817 0 C-N-CA 124.899 1.279 . . . . 0.0 111.404 169.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.258 22.5 t70 58.83 63.34 1.67 Allowed 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 125.298 1.439 . . . . 0.0 114.574 -171.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 25.0 m -141.73 147.5 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 CA-C-O 121.965 0.888 . . . . 0.0 112.127 -169.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -100.95 165.09 11.51 Favored 'General case' 0 CA--C 1.575 1.928 0 CA-C-O 122.024 0.916 . . . . 0.0 110.814 162.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.9 114.59 2.88 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.588 -1.32 . . . . 0.0 113.406 167.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.41 -78.48 0.44 Allowed 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.688 0.795 . . . . 0.0 110.247 172.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -158.36 133.91 5.9 Favored Pre-proline 0 CA--C 1.571 1.762 0 CA-C-O 117.687 -1.149 . . . . 0.0 110.315 -176.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -81.93 138.92 10.61 Favored 'Trans proline' 0 CA--C 1.561 1.828 0 C-N-CA 122.552 2.168 . . . . 0.0 114.375 171.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 95.1 t -80.85 86.78 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.885 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 171.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 87.0 p -89.31 109.26 20.17 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.532 0.733 . . . . 0.0 112.147 -171.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . 0.299 70.6 tttt 62.02 39.2 13.51 Favored 'General case' 0 CA--C 1.579 2.064 0 N-CA-C 116.151 1.908 . . . . 0.0 116.151 -171.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . 0.277 24.7 t80 . . . . . 0 N--CA 1.486 1.356 0 C-N-CA 125.309 1.444 . . . . 0.0 113.586 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 182' ' ' SER . . . . . . . . . . . . . 75.3 m . . . . . 0 N--CA 1.484 1.249 0 CA-C-O 121.726 0.774 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 183' ' ' VAL . . . . . . . . . . . . 0.357 94.5 t -84.66 77.63 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 CA-C-O 122.529 1.157 . . . . 0.0 112.669 -169.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.02 -90.81 0.1 Allowed 'General case' 0 N--CA 1.484 1.264 0 CA-C-O 117.559 -1.21 . . . . 0.0 109.718 153.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 185' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 186' ' ' VAL . . . . . . . . . . . . . 62.7 t -138.27 101.13 8.41 Favored Pre-proline 0 CA--C 1.577 1.991 0 N-CA-C 105.951 -1.87 . . . . 0.0 105.951 173.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 187' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -82.11 83.28 2.1 Favored 'Trans proline' 0 CA--C 1.568 2.179 0 CA-C-N 123.145 2.159 . . . . 0.0 115.343 -169.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 188' ' ' MET . . . . . . . . . . . . . 55.0 mtm -80.03 -53.28 6.87 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 117.403 2.371 . . . . 0.0 117.403 -169.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . 0.311 0.3 OUTLIER . . . . . 0 N--CA 1.507 2.385 0 CA-C-N 121.348 1.885 . . . . 0.0 112.89 -173.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.995 0 N-CA-C 117.068 1.587 . . . . 0.0 117.068 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -159.5 -70.77 0.08 Allowed 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 124.064 0.946 . . . . 0.0 108.52 168.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -105.16 178.76 4.47 Favored 'General case' 0 CA--C 1.577 2.012 0 CA-C-O 121.914 0.864 . . . . 0.0 110.497 166.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -76.15 73.3 2.99 Favored 'General case' 0 CA--C 1.574 1.869 0 O-C-N 120.314 -1.492 . . . . 0.0 113.735 -175.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -147.81 -46.43 0.16 Allowed 'General case' 0 CA--C 1.571 1.785 0 C-N-CA 124.392 1.077 . . . . 0.0 112.819 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.0 mpp? 68.98 74.51 0.25 Allowed 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 115.303 1.594 . . . . 0.0 115.303 165.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.9 m -166.03 88.65 0.39 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.923 -1.111 . . . . 0.0 111.074 168.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.09 -73.54 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 123.59 0.756 . . . . 0.0 109.452 156.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -36.69 68.37 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 160.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -119.33 75.4 1.05 Allowed 'General case' 0 CA--C 1.563 1.481 0 C-N-CA 125.295 1.438 . . . . 0.0 109.895 171.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.518 ' H ' ' HB2' ' A' ' 14' ' ' TYR . . . -92.87 -108.02 0.11 Allowed 'General case' 0 CA--C 1.566 1.59 0 CA-C-O 118.665 -0.683 . . . . 0.0 112.077 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.5 mp0 -94.94 -76.51 0.49 Allowed 'General case' 0 N--CA 1.496 1.834 0 CA-C-N 120.379 1.445 . . . . 0.0 110.367 -175.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 48.6 p90 -79.2 6.14 10.48 Favored 'General case' 0 CA--C 1.571 1.753 0 N-CA-C 117.608 2.447 . . . . 0.0 117.608 167.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.698 ' HA ' HG21 ' A' ' 37' ' ' VAL . 0.5 OUTLIER -86.71 80.65 8.47 Favored 'General case' 0 CA--C 1.564 1.497 0 CA-C-N 120.705 1.593 . . . . 0.0 111.795 -165.412 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -89.43 -61.82 1.61 Allowed 'General case' 0 CA--C 1.565 1.526 0 N-CA-C 115.781 1.771 . . . . 0.0 115.781 -172.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.14 49.54 26.62 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 117.09 1.596 . . . . 0.0 117.09 -169.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -133.44 60.65 1.7 Allowed 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 122.929 1.347 . . . . 0.0 110.697 165.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -151.53 119.59 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 105.917 -1.883 . . . . 0.0 105.917 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.7 t -106.8 -171.55 1.91 Allowed 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -59.91 -53.57 56.33 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 115.791 1.775 . . . . 0.0 115.791 -157.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -69.42 -42.08 75.5 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 173.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -70.22 -33.71 72.01 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.314 2.0 p -61.27 -55.54 23.85 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.848 0 CA-C-N 120.726 1.603 . . . . 0.0 112.632 161.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -46.34 -40.93 12.66 Favored 'General case' 0 N--CA 1.501 2.121 0 N-CA-C 118.747 2.869 . . . . 0.0 118.747 172.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -52.42 -19.63 2.31 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 172.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -140.79 69.3 1.34 Allowed 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 119.886 1.221 . . . . 0.0 108.634 172.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.0 tp -160.39 -107.71 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.883 -1.135 . . . . 0.0 112.72 -165.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.96 -11.03 33.88 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 120.718 3.599 . . . . 0.0 120.718 -155.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -75.5 -50.68 14.96 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 170.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.7 t -78.13 -33.82 50.22 Favored 'General case' 0 CA--C 1.573 1.853 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 166.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.49 118.34 9.97 Favored 'General case' 0 CA--C 1.559 1.298 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -164.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -130.36 41.3 3.41 Favored 'General case' 0 CA--C 1.573 1.856 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.78 0.91 11.94 Favored Glycine 0 N--CA 1.498 2.777 0 N-CA-C 119.508 2.563 . . . . 0.0 119.508 -164.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.0 t -60.62 124.14 19.52 Favored 'General case' 0 N--CA 1.506 2.337 0 CA-C-N 120.123 1.962 . . . . 0.0 113.226 165.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . 0.264 1.9 p90 -115.44 126.21 54.06 Favored 'General case' 0 N--CA 1.499 1.989 0 CA-C-O 121.638 0.733 . . . . 0.0 112.79 -176.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -152.29 150.24 29.55 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.927 0.891 . . . . 0.0 110.351 -161.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.698 HG21 ' HA ' ' A' ' 14' ' ' TYR 0.251 36.7 t -101.92 107.17 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.098 0 O-C-N 119.512 -1.992 . . . . 0.0 110.845 -158.093 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.56 135.28 43.34 Favored 'General case' 0 CA--C 1.566 1.567 0 C-N-CA 123.54 0.736 . . . . 0.0 112.461 -164.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -69.11 126.29 29.33 Favored 'General case' 0 CA--C 1.572 1.8 0 O-C-N 120.477 -1.389 . . . . 0.0 113.123 169.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.96 164.24 11.83 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 165.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.56 110.66 4.37 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 164.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.9 m -154.21 -68.28 0.14 Allowed 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.118 -1.613 . . . . 0.0 109.238 -174.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -80.06 78.39 6.7 Favored 'General case' 0 CA--C 1.572 1.802 0 CA-C-N 119.727 1.149 . . . . 0.0 109.738 161.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . 0.375 22.3 ttt 62.84 -102.16 0.11 Allowed 'General case' 0 CA--C 1.573 1.863 0 C-N-CA 124.408 1.083 . . . . 0.0 113.478 -164.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -129.46 115.1 16.98 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 118.958 0.799 . . . . 0.0 109.725 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -105.96 73.29 0.22 Allowed Glycine 0 N--CA 1.485 1.926 0 O-C-N 121.996 -0.44 . . . . 0.0 113.701 -177.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -55.22 -39.1 69.28 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 117.219 2.303 . . . . 0.0 117.219 -173.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -110.25 63.55 0.61 Allowed 'General case' 0 CA--C 1.566 1.585 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -176.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.6 t -91.49 148.69 22.12 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.491 -1.381 . . . . 0.0 109.409 152.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.405 HD13 HD11 ' A' ' 63' ' ' ILE . 6.5 tt -98.41 146.63 25.53 Favored 'General case' 0 N--CA 1.484 1.259 0 O-C-N 120.422 -1.424 . . . . 0.0 109.562 168.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.8 m -126.35 120.32 29.56 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 119.789 -1.819 . . . . 0.0 110.059 173.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.58 142.57 36.03 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 158.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -116.45 128.51 55.54 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-O 122.376 1.084 . . . . 0.0 110.491 171.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -103.14 126.92 50.54 Favored 'General case' 0 CA--C 1.562 1.419 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 162.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -66.85 81.61 0.12 Allowed Glycine 0 N--CA 1.494 2.551 0 N-CA-C 116.098 1.199 . . . . 0.0 116.098 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.79 -85.27 0.12 Allowed Glycine 0 N--CA 1.481 1.646 0 N-CA-C 108.353 -1.899 . . . . 0.0 108.353 -163.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -93.39 98.95 11.56 Favored 'General case' 0 CA--C 1.563 1.457 0 CA-C-O 122.227 1.013 . . . . 0.0 110.028 162.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -97.23 110.34 22.91 Favored 'General case' 0 CA--C 1.558 1.266 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -156.03 113.0 3.19 Favored 'General case' 0 CA--C 1.564 1.487 0 O-C-N 120.853 -1.155 . . . . 0.0 112.136 -155.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.1 m -64.07 173.63 1.84 Allowed 'General case' 0 CA--C 1.575 1.942 0 N-CA-C 117.421 2.378 . . . . 0.0 117.421 174.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.3 tt -153.91 119.22 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.912 0 C-N-CA 124.184 0.994 . . . . 0.0 109.741 -162.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -68.79 149.53 48.88 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 119.903 -1.748 . . . . 0.0 114.7 177.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.405 HD11 HD13 ' A' ' 50' ' ' LEU 0.306 44.3 mm -104.14 -99.04 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 CA-C-O 117.07 -1.443 . . . . 0.0 108.181 168.557 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . 0.307 3.1 t80 97.11 127.85 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.307 0 CA-C-N 120.892 1.678 . . . . 0.0 110.473 -159.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -67.98 95.55 0.55 Allowed 'General case' 0 CA--C 1.577 2.0 0 O-C-N 120.078 -1.639 . . . . 0.0 113.656 177.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . 0.269 94.4 mtt180 69.02 58.87 0.36 Allowed 'General case' 0 N--CA 1.502 2.153 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 167.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -146.96 88.55 1.75 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.09 -1.006 . . . . 0.0 110.139 -172.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -176.68 -46.61 0.06 OUTLIER Glycine 0 N--CA 1.493 2.47 0 N-CA-C 116.311 1.285 . . . . 0.0 116.311 -172.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.493 ' H ' ' H ' ' A' ' 80' ' ' SER 0.293 21.3 ttpp 74.34 79.35 0.12 Allowed 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 159.864 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -135.97 99.02 4.03 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.207 0.527 . . . . 0.0 111.461 -174.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 155.3 175.69 26.63 Favored Glycine 0 CA--C 1.546 1.987 0 CA-C-O 122.07 0.817 . . . . 0.0 114.058 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -69.7 89.65 0.56 Allowed 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 121.947 0.88 . . . . 0.0 112.888 -173.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.3 m -102.28 75.96 1.53 Allowed 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -158.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -118.61 -76.37 0.57 Allowed 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 123.265 0.626 . . . . 0.0 110.063 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.0 m -80.24 -56.54 4.14 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 177.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.93 103.54 15.86 Favored 'General case' 0 CA--C 1.564 1.501 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 165.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 51.9 p -82.3 139.57 34.09 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.905 0.86 . . . . 0.0 112.149 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -95.77 133.84 39.41 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.453 -0.779 . . . . 0.0 110.076 -171.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -143.68 89.2 2.04 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 170.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.493 ' H ' ' H ' ' A' ' 69' ' ' LYS . 12.2 m -149.61 113.5 5.1 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 120.452 -1.405 . . . . 0.0 109.956 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.3 p -53.16 -39.43 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 N-CA-C 115.993 1.849 . . . . 0.0 115.993 168.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 26.1 m -66.88 -28.56 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 CA-C-O 116.073 -1.917 . . . . 0.0 115.752 170.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -64.53 -43.97 92.35 Favored 'General case' 0 N--CA 1.503 2.213 0 CA-C-N 123.943 3.065 . . . . 0.0 115.595 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.3 pp -54.07 -44.78 71.41 Favored 'General case' 0 N--CA 1.5 2.066 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 161.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.8 mt -70.33 -50.64 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.124 0 C-N-CA 123.422 0.689 . . . . 0.0 111.281 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -52.81 -40.23 63.08 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 116.956 2.206 . . . . 0.0 116.956 174.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -47.49 -45.15 26.03 Favored 'General case' 0 CA--C 1.576 1.958 0 N-CA-C 116.22 1.933 . . . . 0.0 116.22 162.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -88.36 -18.5 28.29 Favored 'General case' 0 CA--C 1.576 1.979 0 N-CA-C 116.432 2.012 . . . . 0.0 116.432 174.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -67.99 -22.99 64.97 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-N 120.843 1.656 . . . . 0.0 114.81 157.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.04 -11.42 13.7 Favored 'General case' 0 CA--C 1.574 1.885 0 N-CA-C 117.672 2.471 . . . . 0.0 117.672 161.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.63 -89.77 0.07 Allowed 'General case' 0 CA--C 1.558 1.252 0 CA-C-N 119.363 0.983 . . . . 0.0 110.66 -175.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.7 p -152.47 106.81 3.15 Favored 'General case' 0 CA--C 1.562 1.404 0 C-N-CA 123.253 0.621 . . . . 0.0 110.575 -168.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.7 mp -63.92 -18.82 64.6 Favored 'General case' 0 N--CA 1.505 2.32 0 N-CA-C 117.819 2.526 . . . . 0.0 117.819 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.45 -25.86 68.19 Favored 'General case' 0 CA--C 1.575 1.938 0 N-CA-C 116.827 2.158 . . . . 0.0 116.827 163.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -73.25 -17.76 61.3 Favored 'General case' 0 CA--C 1.572 1.822 0 N-CA-C 115.524 1.676 . . . . 0.0 115.524 163.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -68.38 -66.23 0.6 Allowed 'General case' 0 CA--C 1.572 1.802 0 CA-C-N 119.869 1.213 . . . . 0.0 112.259 162.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.1 t30 167.67 -61.87 0.0 OUTLIER Pre-proline 0 CA--C 1.578 2.048 0 C-N-CA 126.212 1.805 . . . . 0.0 107.366 -164.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -58.04 118.89 5.84 Favored 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 123.427 2.751 . . . . 0.0 116.146 174.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.31 71.78 1.25 Allowed 'General case' 0 CA--C 1.574 1.886 0 CA-C-O 123.007 1.384 . . . . 0.0 114.02 -178.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 45.5 mt -101.54 -50.08 3.84 Favored 'General case' 0 CA--C 1.572 1.817 0 C-N-CA 124.899 1.279 . . . . 0.0 111.404 169.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.258 22.5 t70 58.83 63.34 1.67 Allowed 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 125.298 1.439 . . . . 0.0 114.574 -171.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 25.0 m -141.73 147.5 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 CA-C-O 121.965 0.888 . . . . 0.0 112.127 -169.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -100.95 165.09 11.51 Favored 'General case' 0 CA--C 1.575 1.928 0 CA-C-O 122.024 0.916 . . . . 0.0 110.814 162.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.9 114.59 2.88 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.588 -1.32 . . . . 0.0 113.406 167.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.41 -78.48 0.44 Allowed 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.688 0.795 . . . . 0.0 110.247 172.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -158.36 133.91 5.9 Favored Pre-proline 0 CA--C 1.571 1.762 0 CA-C-O 117.687 -1.149 . . . . 0.0 110.315 -176.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -81.93 138.92 10.61 Favored 'Trans proline' 0 CA--C 1.561 1.828 0 C-N-CA 122.552 2.168 . . . . 0.0 114.375 171.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 95.1 t -80.85 86.78 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.885 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 171.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 87.0 p -89.31 109.26 20.17 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.532 0.733 . . . . 0.0 112.147 -171.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . 0.299 70.6 tttt 62.02 39.2 13.51 Favored 'General case' 0 CA--C 1.579 2.064 0 N-CA-C 116.151 1.908 . . . . 0.0 116.151 -171.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . 0.277 24.7 t80 . . . . . 0 N--CA 1.486 1.356 0 C-N-CA 125.309 1.444 . . . . 0.0 113.586 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 182' ' ' SER . . . . . . . . . . . . . 75.3 m . . . . . 0 N--CA 1.484 1.249 0 CA-C-O 121.726 0.774 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 183' ' ' VAL . . . . . . . . . . . . 0.357 94.5 t -84.66 77.63 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 CA-C-O 122.529 1.157 . . . . 0.0 112.669 -169.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.02 -90.81 0.1 Allowed 'General case' 0 N--CA 1.484 1.264 0 CA-C-O 117.559 -1.21 . . . . 0.0 109.718 153.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 185' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 186' ' ' VAL . . . . . . . . . . . . . 62.7 t -138.27 101.13 8.41 Favored Pre-proline 0 CA--C 1.577 1.991 0 N-CA-C 105.951 -1.87 . . . . 0.0 105.951 173.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 187' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -82.11 83.28 2.1 Favored 'Trans proline' 0 CA--C 1.568 2.179 0 CA-C-N 123.145 2.159 . . . . 0.0 115.343 -169.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 188' ' ' MET . . . . . . . . . . . . . 55.0 mtm -80.03 -53.28 6.87 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 117.403 2.371 . . . . 0.0 117.403 -169.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . 0.311 0.3 OUTLIER . . . . . 0 N--CA 1.507 2.385 0 CA-C-N 121.348 1.885 . . . . 0.0 112.89 -173.773 . . . . . . . . 2 2 . 1 stop_ save_