data_2ezx_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 2ezx _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 full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.892 0.853 . . . . 6.1100000000000003 109.085 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.422 ' H ' ' HG1' ' A' ' 2' ' ' THR . 0.7 OUTLIER -82.71 115.9 21.84 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.361 0.6 . . . . 3.5800000000000001 110.009 -178.363 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.4 p -60.13 145.07 48.19 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 106.912 -1.514 . . . . 1.3200000000000001 106.912 178.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.5 p -57.69 161.96 3.38 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.719 -1.238 . . . . 1.98 109.474 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -56.15 -21.28 21.75 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.735 -0.603 . . . . 2.6000000000000001 110.694 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.64 -39.66 94.55 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 120.972 -1.08 . . . . 2.5099999999999998 109.83 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -55.7 -51.71 66.36 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.028 -1.045 . . . . 0.51000000000000001 109.694 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.8 mtt180 -70.07 -34.21 72.89 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.347 -0.846 . . . . 3.7200000000000002 110.789 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.97 -37.96 75.95 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.201 -0.937 . . . . 0.76000000000000001 109.133 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -65.97 -44.63 84.35 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.145 -0.972 . . . . 0.5 110.525 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.7 m -83.9 13.49 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.994 -1.066 . . . . 1.1799999999999999 110.197 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.26 -10.61 13.81 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.319 -0.863 . . . . 1.1799999999999999 110.589 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -152.87 152.32 28.11 Favored Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 120.888 -1.133 . . . . 1.26 109.274 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -41.59 159.98 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.009 1.806 . . . . 0.53000000000000003 111.906 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.3 ptp -91.4 -19.52 22.8 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.035 -1.041 . . . . 1.1399999999999999 110.013 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.42 -140.05 14.56 Favored Glycine 0 N--CA 1.494 2.525 0 O-C-N 121.043 -1.036 . . . . 0.41999999999999998 110.586 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -106.33 31.25 5.3 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.579 -0.954 . . . . 0.84999999999999998 110.271 -178.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -62.33 148.88 88.88 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.08 -1.013 . . . . 2.4900000000000002 109.362 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -65.55 155.01 71.19 Favored 'Trans proline' 0 N--CA 1.499 1.823 0 C-N-CA 122.604 2.203 . . . . 0.39000000000000001 113.07 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.483 ' C ' ' H ' ' A' ' 22' ' ' SER . 3.2 p -51.8 -47.64 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.67 -0.643 . . . . 1.1200000000000001 109.493 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.38 -4.28 0.34 Allowed Glycine 0 N--CA 1.488 2.142 0 O-C-N 121.155 -0.966 . . . . 0.27000000000000002 110.735 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.483 ' H ' ' C ' ' A' ' 20' ' ' VAL . 3.4 t -82.83 -22.45 34.13 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.705 -1.468 . . . . 1.75 109.63 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.89 139.86 58.81 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.062 -1.024 . . . . 1.05 109.568 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.37 137.06 57.26 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-O 121.677 0.751 . . . . 1.0600000000000001 109.88 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.98 -19.97 50.98 Favored Glycine 0 N--CA 1.497 2.737 0 N-CA-C 109.977 -1.249 . . . . 0.23000000000000001 109.977 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.1 mm -100.47 118.34 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.21 -1.17 . . . . 1.0800000000000001 108.361 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.02 176.42 40.7 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.648 -1.381 . . . . 0.31 109.648 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.99 -39.92 83.27 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.568 -0.96 . . . . 2.0099999999999998 110.621 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.6 t -67.18 -43.78 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.783 -1.198 . . . . 1.1399999999999999 109.582 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.6 mt -69.6 -39.98 76.94 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.285 -0.884 . . . . 1.1299999999999999 110.422 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -30.63 70.46 Favored Glycine 0 N--CA 1.484 1.861 0 N-CA-C 108.407 -1.877 . . . . 0.34999999999999998 108.407 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -69.09 -40.36 78.44 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.71 -0.877 . . . . 3.2200000000000002 110.647 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -68.23 -42.04 80.32 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.705 -1.247 . . . . 2.1000000000000001 109.363 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.8 mt -62.48 -38.35 89.53 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.986 -1.071 . . . . 1.0800000000000001 108.182 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -60.07 -42.09 93.81 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.391 -0.818 . . . . 1.6699999999999999 109.253 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -67.53 -18.35 65.0 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.23 -0.919 . . . . 2.0 108.634 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -89.15 -0.08 57.15 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.522 -0.736 . . . . 3.1499999999999999 110.113 -178.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.13 5.05 50.38 Favored Glycine 0 N--CA 1.502 3.059 0 O-C-N 121.065 -1.022 . . . . 0.47999999999999998 111.009 178.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -105.21 74.47 1.1 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.035 -1.274 . . . . 0.38 108.219 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.404 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 34.3 p-10 -82.2 -11.28 58.79 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 119.813 -0.755 . . . . 0.40999999999999998 110.721 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -132.24 154.97 49.09 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 121.155 -0.966 . . . . 2.1600000000000001 109.287 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.22 -40.27 93.86 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.353 -0.842 . . . . 1.03 112.195 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -60.49 -19.24 56.1 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.411 -1.43 . . . . 0.92000000000000004 111.653 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.9 t -78.7 -30.96 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 120.415 -1.428 . . . . 1.0700000000000001 107.594 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.8 t -76.45 -39.91 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 N-CA-C 107.907 -1.146 . . . . 1.0600000000000001 107.907 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.7 tp -59.98 -39.6 86.25 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 106.954 -1.498 . . . . 1.1599999999999999 106.954 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.91 -42.04 85.47 Favored Glycine 0 N--CA 1.484 1.898 0 N-CA-C 109.17 -1.572 . . . . 0.20000000000000001 109.17 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -60.25 -43.54 96.05 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.103 -1.233 . . . . 1.8200000000000001 109.256 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -59.97 -39.88 87.16 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.469 -0.937 . . . . 0.40000000000000002 108.469 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.5 mt -67.95 -38.57 82.97 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.983 -0.747 . . . . 1.0900000000000001 108.983 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.39 -27.79 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.269 -0.894 . . . . 1.0900000000000001 110.239 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.2 mt -89.23 13.19 13.91 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.963 -1.086 . . . . 1.0900000000000001 110.464 -179.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 89.4 mttt 47.84 37.23 6.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.733 -1.23 . . . . 2.2200000000000002 110.164 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.7 mttt 60.3 20.69 10.17 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.397 -0.815 . . . . 2.7999999999999998 110.919 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -65.52 108.63 2.07 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.338 -1.476 . . . . 1.8 107.062 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -61.85 -40.6 95.89 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.352 -0.842 . . . . 0.87 112.317 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.95 -39.91 75.75 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.773 -1.204 . . . . 0.72999999999999998 109.907 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.07 -39.72 75.46 Favored 'General case' 0 C--N 1.293 -1.86 0 C-N-CA 119.107 -1.037 . . . . 1.2 109.073 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -64.09 -50.04 69.86 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.314 -0.866 . . . . 0.44 110.305 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -60.65 -44.03 96.9 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.234 -0.916 . . . . 3.3399999999999999 110.403 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -65.38 -37.29 86.55 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 120.67 -1.269 . . . . 2.3700000000000001 108.228 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.447 ' O ' ' OG1' ' A' ' 66' ' ' THR . 61.5 t90 -62.33 -48.15 81.11 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.947 -1.096 . . . . 0.40999999999999998 111.116 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.8 tp -66.68 -46.57 75.23 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.139 -0.975 . . . . 1.0800000000000001 110.22 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -61.72 -49.99 74.23 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.277 -0.889 . . . . 2.6099999999999999 110.737 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.62 -26.48 66.26 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.068 -1.02 . . . . 1.8999999999999999 109.063 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 66.7 m -78.59 -37.01 43.51 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.151 -0.968 . . . . 1.1100000000000001 111.385 -178.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 20.0 p -131.52 -30.02 1.71 Allowed 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.614 -1.304 . . . . 0.96999999999999997 112.154 -177.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.04 15.15 15.12 Favored Glycine 0 N--CA 1.499 2.859 0 N-CA-C 109.083 -1.607 . . . . 0.38 109.083 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.86 153.82 2.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.064 -1.257 . . . . 1.1000000000000001 109.278 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -90.27 172.71 8.58 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.042 -1.036 . . . . 2.3700000000000001 109.935 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.03 -32.65 71.1 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.747 -0.596 . . . . 1.1200000000000001 110.08 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -69.97 -45.05 68.22 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.142 -0.974 . . . . 2.9700000000000002 110.712 -178.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -69.98 -28.99 65.98 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.424 -0.797 . . . . 2.6200000000000001 111.091 -176.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.8 -37.79 76.42 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 120.818 -1.176 . . . . 1.8899999999999999 108.69 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.11 -39.97 88.05 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.086 -1.009 . . . . 3.3199999999999998 110.1 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.44 -40.01 85.44 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.801 -1.187 . . . . 0.40000000000000002 110.053 -178.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 59.1 m -69.39 -40.04 77.6 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 120.984 -1.072 . . . . 0.95999999999999996 109.849 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -60.06 -60.72 3.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.752 -1.217 . . . . 0.5 109.944 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.32 -32.54 81.2 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 110.353 -1.099 . . . . 0.27000000000000002 110.353 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 35.7 t -70.03 -48.68 56.98 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.984 -1.303 . . . . 0.93999999999999995 110.135 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.8 mt -70.01 -40.06 75.46 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 119.08 -1.048 . . . . 1.0900000000000001 109.251 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -62.86 -41.26 99.31 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.382 -0.824 . . . . 3.1800000000000002 110.734 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -70.3 -36.38 74.3 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.988 -1.07 . . . . 1.9099999999999999 110.27 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.642 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 84.7 t90 -60.17 -44.79 94.76 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.548 -1.345 . . . . 0.40000000000000002 108.225 178.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.422 ' O ' ' N ' ' A' ' 89' ' ' LEU . 44.1 m -61.41 -39.98 92.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.623 -0.673 . . . . 0.96999999999999997 109.763 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -58.59 -31.84 68.42 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.289 -0.882 . . . . 0.55000000000000004 109.435 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.9 -34.12 13.93 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.257 -0.902 . . . . 1.1200000000000001 111.163 -179.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.642 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 86.3 m-85 -109.91 -3.46 16.57 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.216 -0.927 . . . . 1.24 113.108 -176.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 85' ' ' CYS . 19.0 tp . . . . . 0 N--CA 1.503 2.2 0 O-C-N 120.189 -1.569 . . . . 1.8300000000000001 109.192 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.921 0.867 . . . . 6.0999999999999996 109.223 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' THR . . . . . 0.444 ' H ' ' HG1' ' B' ' 2' ' ' THR . 0.8 OUTLIER -84.05 115.59 22.43 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.415 0.626 . . . . 3.5800000000000001 110.183 -178.204 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 73.2 p -60.01 144.5 49.17 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 106.891 -1.522 . . . . 1.3200000000000001 106.891 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 58.7 p -57.26 161.97 2.97 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 120.694 -1.254 . . . . 1.97 109.514 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -56.19 -21.06 20.77 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.758 -0.589 . . . . 2.5899999999999999 110.679 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.69 -39.66 94.68 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.967 -1.083 . . . . 2.5 109.811 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -55.72 -51.75 66.27 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.035 -1.041 . . . . 0.51000000000000001 109.732 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 50.0 mtt180 -70.04 -34.1 72.82 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.288 -0.882 . . . . 3.73 110.861 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.07 -37.92 75.59 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.217 -0.927 . . . . 0.76000000000000001 109.12 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -65.94 -44.71 84.26 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.008 -1.058 . . . . 0.5 110.532 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 26.7 m -83.84 13.43 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 120.938 -1.101 . . . . 1.1799999999999999 110.206 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.22 -10.66 13.82 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 121.314 -0.866 . . . . 1.1799999999999999 110.59 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -152.85 152.29 28.08 Favored Pre-proline 0 N--CA 1.497 1.914 0 O-C-N 120.851 -1.155 . . . . 1.27 109.299 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -41.51 159.98 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 122.014 1.809 . . . . 0.53000000000000003 111.894 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 6.3 ptp -91.48 -19.45 22.8 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.994 -1.066 . . . . 1.1299999999999999 109.946 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.41 -140.09 14.48 Favored Glycine 0 N--CA 1.494 2.504 0 O-C-N 120.994 -1.067 . . . . 0.40999999999999998 110.616 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -106.3 31.19 5.34 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.582 -0.952 . . . . 0.83999999999999997 110.291 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -62.36 148.92 88.94 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.093 -1.005 . . . . 2.4900000000000002 109.368 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.48 154.96 71.34 Favored 'Trans proline' 0 N--CA 1.499 1.819 0 C-N-CA 122.671 2.247 . . . . 0.38 113.113 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.493 ' C ' ' H ' ' B' ' 22' ' ' SER . 3.2 p -51.88 -47.51 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.744 -0.597 . . . . 1.1200000000000001 109.532 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.5 -4.16 0.34 Allowed Glycine 0 N--CA 1.489 2.202 0 N-CA-C 110.721 -0.951 . . . . 0.27000000000000002 110.721 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.493 ' H ' ' C ' ' B' ' 20' ' ' VAL . 3.4 t -82.8 -22.54 34.18 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.694 -1.474 . . . . 1.75 109.647 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 65.7 mt -64.91 139.91 58.81 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.131 -0.981 . . . . 1.0600000000000001 109.564 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.25 136.96 57.24 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-O 121.63 0.728 . . . . 1.05 109.954 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.03 -19.99 50.81 Favored Glycine 0 N--CA 1.498 2.77 0 N-CA-C 109.968 -1.253 . . . . 0.22 109.968 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 11.3 mm -100.47 118.34 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.224 -1.162 . . . . 1.0800000000000001 108.355 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.07 176.42 40.63 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.609 -1.396 . . . . 0.29999999999999999 109.609 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.95 -39.99 83.34 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.485 -1.009 . . . . 2.0 110.64 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 68.6 t -67.16 -43.74 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 120.768 -1.207 . . . . 1.1399999999999999 109.608 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.65 -39.91 76.81 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.248 -0.908 . . . . 1.1299999999999999 110.366 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -30.68 70.64 Favored Glycine 0 N--CA 1.484 1.838 0 N-CA-C 108.471 -1.852 . . . . 0.35999999999999999 108.471 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 45.9 tttt -69.13 -40.37 78.32 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.652 -0.911 . . . . 3.2200000000000002 110.625 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -68.15 -42.05 80.67 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.73 -1.231 . . . . 2.1200000000000001 109.452 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.45 -38.36 89.48 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.93 -1.107 . . . . 1.0800000000000001 108.2 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -60.12 -42.06 93.95 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.406 -0.809 . . . . 1.6799999999999999 109.251 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -67.6 -18.24 64.91 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.264 -0.897 . . . . 1.99 108.65 178.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -89.21 -0.01 57.11 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.526 -0.734 . . . . 3.1499999999999999 110.081 -178.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.11 5.06 50.41 Favored Glycine 0 N--CA 1.502 3.049 0 O-C-N 121.068 -1.02 . . . . 0.48999999999999999 110.983 178.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -105.26 74.55 1.11 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.129 -1.218 . . . . 0.38 108.222 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 34.3 p-10 -82.31 -11.22 58.75 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 119.778 -0.769 . . . . 0.40999999999999998 110.705 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -132.2 154.97 49.04 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.154 -0.966 . . . . 2.1499999999999999 109.263 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.22 -40.23 93.84 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.38 -0.825 . . . . 1.03 112.209 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -60.54 -19.21 56.5 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.456 -1.402 . . . . 0.92000000000000004 111.669 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 44.4 t -78.7 -30.97 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 120.418 -1.426 . . . . 1.0800000000000001 107.59 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 47.5 t -76.44 -39.88 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 N-CA-C 107.911 -1.144 . . . . 1.0700000000000001 107.911 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 14.7 tp -60.06 -39.5 86.22 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 106.91 -1.515 . . . . 1.1499999999999999 106.91 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.91 -42.03 85.46 Favored Glycine 0 N--CA 1.485 1.918 0 N-CA-C 109.185 -1.566 . . . . 0.19 109.185 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -60.29 -43.48 96.23 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.148 -1.207 . . . . 1.8200000000000001 109.273 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -60.09 -39.98 88.01 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.397 -0.964 . . . . 0.40000000000000002 108.397 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.8 -38.62 83.56 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.835 -0.746 . . . . 1.0700000000000001 109.006 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.46 -27.68 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.222 -0.924 . . . . 1.0900000000000001 110.262 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 94.9 mt -89.17 13.09 14.04 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.95 -1.094 . . . . 1.0900000000000001 110.504 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 89.3 mttt 47.93 37.17 7.07 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.752 -1.217 . . . . 2.23 110.175 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 68.4 mttt 60.29 20.7 10.17 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.463 -0.773 . . . . 2.7999999999999998 110.964 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -65.54 108.63 2.08 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.297 -1.502 . . . . 1.8 107.052 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -61.86 -40.68 96.19 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.37 -0.831 . . . . 0.88 112.211 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.81 -40.06 76.17 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.799 -1.188 . . . . 0.73999999999999999 109.895 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.89 -39.81 76.03 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 119.188 -1.005 . . . . 1.2 109.108 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -64.13 -50.04 69.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.287 -0.883 . . . . 0.44 110.29 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -60.63 -44.04 96.83 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.266 -0.896 . . . . 3.3399999999999999 110.44 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -65.37 -37.28 86.53 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 120.724 -1.235 . . . . 2.3799999999999999 108.265 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.438 ' O ' ' OG1' ' B' ' 66' ' ' THR . 61.3 t90 -62.38 -48.07 81.38 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.92 -1.113 . . . . 0.40999999999999998 111.044 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 61.5 tp -66.71 -46.55 75.18 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.126 -0.984 . . . . 1.0700000000000001 110.197 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.4 tttt -61.78 -50.0 74.11 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.222 -0.924 . . . . 2.6000000000000001 110.778 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -26.63 66.55 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.071 -1.018 . . . . 1.8999999999999999 109.097 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 67.0 m -78.5 -37.04 44.17 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.203 -0.936 . . . . 1.1000000000000001 111.392 -178.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 20.0 p -131.58 -30.05 1.69 Allowed 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.593 -1.317 . . . . 0.95999999999999996 112.134 -177.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.02 15.3 14.85 Favored Glycine 0 N--CA 1.499 2.886 0 N-CA-C 109.11 -1.596 . . . . 0.37 109.11 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.04 153.84 2.49 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.068 -1.254 . . . . 1.0900000000000001 109.252 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -90.34 172.72 8.56 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.068 -1.02 . . . . 2.3700000000000001 109.907 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.01 -32.68 71.1 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.764 -0.585 . . . . 1.1100000000000001 110.11 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -69.88 -45.12 68.37 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.115 -0.991 . . . . 2.9700000000000002 110.67 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -69.96 -29.17 66.23 Favored 'General case' 0 C--N 1.294 -1.805 0 O-C-N 121.417 -0.802 . . . . 2.6200000000000001 111.155 -177.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.68 -37.71 76.76 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 120.771 -1.206 . . . . 1.8899999999999999 108.668 179.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.17 -39.9 88.06 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.05 -1.031 . . . . 3.3199999999999998 110.092 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.54 -39.92 85.02 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 120.844 -1.16 . . . . 0.40000000000000002 110.089 -178.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 59.0 m -69.39 -40.05 77.6 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.01 -1.056 . . . . 0.95999999999999996 109.821 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -60.1 -60.74 3.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.762 -1.211 . . . . 0.5 109.945 -178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.27 -32.56 81.18 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 110.374 -1.09 . . . . 0.27000000000000002 110.374 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 35.6 t -70.01 -48.71 57.0 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.997 -1.296 . . . . 0.93999999999999995 110.135 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.3 mt -70.03 -39.95 75.46 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 119.047 -1.061 . . . . 1.0900000000000001 109.279 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -62.94 -41.24 99.44 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.423 -0.798 . . . . 3.1899999999999999 110.727 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -70.32 -36.38 74.23 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.984 -1.072 . . . . 1.9099999999999999 110.314 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.64 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 84.5 t90 -60.08 -44.8 94.51 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.506 -1.371 . . . . 0.40000000000000002 108.291 178.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.408 ' O ' ' N ' ' B' ' 89' ' ' LEU . 43.5 m -61.39 -40.04 92.9 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.618 -0.676 . . . . 0.96999999999999997 109.73 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -58.59 -31.86 68.43 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.24 -0.912 . . . . 0.55000000000000004 109.374 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.0 -34.04 13.89 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.272 -0.892 . . . . 1.1299999999999999 111.09 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.64 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 86.4 m-85 -109.89 -3.56 16.53 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.215 -0.928 . . . . 1.24 113.099 -176.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' B' ' 85' ' ' CYS . 18.5 tp . . . . . 0 N--CA 1.503 2.222 0 O-C-N 120.28 -1.513 . . . . 1.8300000000000001 109.237 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.892 0.853 . . . . 5.6799999999999997 109.085 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.71 115.9 21.84 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.361 0.6 . . . . 3.02 110.009 -178.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.4 p -60.13 145.07 48.19 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 106.912 -1.514 . . . . 0.95999999999999996 106.912 178.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.5 p -57.69 161.96 3.38 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.719 -1.238 . . . . 1.51 109.474 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -56.15 -21.28 21.75 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.735 -0.603 . . . . 2.1800000000000002 110.694 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.64 -39.66 94.55 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 120.972 -1.08 . . . . 2.02 109.83 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -55.7 -51.71 66.36 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.028 -1.045 . . . . 0.48999999999999999 109.694 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.8 mtt180 -70.07 -34.21 72.89 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.347 -0.846 . . . . 3.21 110.789 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.97 -37.96 75.95 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.201 -0.937 . . . . 0.76000000000000001 109.133 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -65.97 -44.63 84.35 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.145 -0.972 . . . . 0.46000000000000002 110.525 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.7 m -83.9 13.49 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.994 -1.066 . . . . 0.44 110.197 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.26 -10.61 13.81 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.319 -0.863 . . . . 0.54000000000000004 110.589 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -152.87 152.32 28.11 Favored Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 120.888 -1.133 . . . . 1.26 109.274 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -41.59 159.98 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.009 1.806 . . . . 0.48999999999999999 111.906 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.582 ' CE ' HD22 ' A' ' 46' ' ' LEU . 6.3 ptp -91.4 -19.52 22.8 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.035 -1.041 . . . . 0.56999999999999995 110.013 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.42 -140.05 14.56 Favored Glycine 0 N--CA 1.494 2.525 0 O-C-N 121.043 -1.036 . . . . 0.40000000000000002 110.586 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -106.33 31.25 5.3 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.579 -0.954 . . . . 0.84999999999999998 110.271 -178.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -62.33 148.88 88.88 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.08 -1.013 . . . . 2.0099999999999998 109.362 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -65.55 155.01 71.19 Favored 'Trans proline' 0 N--CA 1.499 1.823 0 C-N-CA 122.604 2.203 . . . . 0.34000000000000002 113.07 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.459 ' C ' ' H ' ' A' ' 22' ' ' SER . 3.2 p -51.8 -47.64 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.67 -0.643 . . . . 0.32000000000000001 109.493 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.455 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -54.38 -4.28 0.34 Allowed Glycine 0 N--CA 1.488 2.142 0 O-C-N 121.155 -0.966 . . . . 0.23000000000000001 110.735 -178.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.459 ' H ' ' C ' ' A' ' 20' ' ' VAL . 3.4 t -82.83 -22.45 34.13 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.705 -1.468 . . . . 1.24 109.63 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.89 139.86 58.81 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.062 -1.024 . . . . 0.23999999999999999 109.568 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.37 137.06 57.26 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-O 121.677 0.751 . . . . 0.20999999999999999 109.88 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.98 -19.97 50.98 Favored Glycine 0 N--CA 1.497 2.737 0 N-CA-C 109.977 -1.249 . . . . 0.22 109.977 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.1 mm -100.47 118.34 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.21 -1.17 . . . . 0.25 108.361 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.02 176.42 40.7 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.648 -1.381 . . . . 0.28000000000000003 109.648 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.99 -39.92 83.27 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.568 -0.96 . . . . 2.0099999999999998 110.621 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.6 t -67.18 -43.78 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.783 -1.198 . . . . 0.38 109.582 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.6 mt -69.6 -39.98 76.94 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.285 -0.884 . . . . 0.40000000000000002 110.422 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -30.63 70.46 Favored Glycine 0 N--CA 1.484 1.861 0 N-CA-C 108.407 -1.877 . . . . 0.34999999999999998 108.407 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -69.09 -40.36 78.44 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.71 -0.877 . . . . 2.7400000000000002 110.647 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -68.23 -42.04 80.32 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.705 -1.247 . . . . 1.54 109.363 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.8 mt -62.48 -38.35 89.53 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.986 -1.071 . . . . 0.34000000000000002 108.182 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -60.07 -42.09 93.81 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.391 -0.818 . . . . 1.6699999999999999 109.253 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -67.53 -18.35 65.0 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.23 -0.919 . . . . 2.0 108.634 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -89.15 -0.08 57.15 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.522 -0.736 . . . . 2.6899999999999999 110.113 -178.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.13 5.05 50.38 Favored Glycine 0 N--CA 1.502 3.059 0 O-C-N 121.065 -1.022 . . . . 0.47999999999999998 111.009 178.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -105.21 74.47 1.1 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.035 -1.274 . . . . 0.33000000000000002 108.219 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.404 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 34.3 p-10 -82.2 -11.28 58.79 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 119.813 -0.755 . . . . 0.40999999999999998 110.721 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -132.24 154.97 49.09 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 121.155 -0.966 . . . . 1.5600000000000001 109.287 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.22 -40.27 93.86 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.353 -0.842 . . . . 0.20999999999999999 112.195 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -60.49 -19.24 56.1 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.411 -1.43 . . . . 0.32000000000000001 111.653 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.9 t -78.7 -30.96 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 120.415 -1.428 . . . . 0.23999999999999999 107.594 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.8 t -76.45 -39.91 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 N-CA-C 107.907 -1.146 . . . . 0.22 107.907 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.582 HD22 ' CE ' ' A' ' 15' ' ' MET . 14.7 tp -59.98 -39.6 86.25 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 106.954 -1.498 . . . . 0.40000000000000002 106.954 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.91 -42.04 85.47 Favored Glycine 0 N--CA 1.484 1.898 0 N-CA-C 109.17 -1.572 . . . . 0.17999999999999999 109.17 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -60.25 -43.54 96.05 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.103 -1.233 . . . . 1.0900000000000001 109.256 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -59.97 -39.88 87.16 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.469 -0.937 . . . . 0.31 108.469 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.5 mt -67.95 -38.57 82.97 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.983 -0.747 . . . . 0.28000000000000003 108.983 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.39 -27.79 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.269 -0.894 . . . . 0.28000000000000003 110.239 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.2 mt -89.23 13.19 13.91 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.963 -1.086 . . . . 0.31 110.464 -179.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 89.4 mttt 47.84 37.23 6.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.733 -1.23 . . . . 1.7 110.164 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.7 mttt 60.3 20.69 10.17 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.397 -0.815 . . . . 2.2400000000000002 110.919 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -65.52 108.63 2.07 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.338 -1.476 . . . . 1.8 107.062 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -61.85 -40.6 95.89 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.352 -0.842 . . . . 0.87 112.317 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.95 -39.91 75.75 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.773 -1.204 . . . . 0.72999999999999998 109.907 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.07 -39.72 75.46 Favored 'General case' 0 C--N 1.293 -1.86 0 C-N-CA 119.107 -1.037 . . . . 0.55000000000000004 109.073 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -64.09 -50.04 69.86 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.314 -0.866 . . . . 0.38 110.305 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -60.65 -44.03 96.9 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.234 -0.916 . . . . 2.6400000000000001 110.403 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -65.38 -37.29 86.55 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 120.67 -1.269 . . . . 2.3700000000000001 108.228 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.411 ' O ' ' OG1' ' A' ' 66' ' ' THR . 61.5 t90 -62.33 -48.15 81.11 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.947 -1.096 . . . . 0.40000000000000002 111.116 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.8 tp -66.68 -46.57 75.23 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.139 -0.975 . . . . 0.34000000000000002 110.22 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -61.72 -49.99 74.23 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.277 -0.889 . . . . 2.1099999999999999 110.737 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.62 -26.48 66.26 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.068 -1.02 . . . . 1.8999999999999999 109.063 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 66.7 m -78.59 -37.01 43.51 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.151 -0.968 . . . . 0.40999999999999998 111.385 -178.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 20.0 p -131.52 -30.02 1.71 Allowed 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.614 -1.304 . . . . 0.40000000000000002 112.154 -177.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.04 15.15 15.12 Favored Glycine 0 N--CA 1.499 2.859 0 N-CA-C 109.083 -1.607 . . . . 0.35999999999999999 109.083 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.86 153.82 2.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.064 -1.257 . . . . 0.33000000000000002 109.278 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -90.27 172.71 8.58 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.042 -1.036 . . . . 1.8999999999999999 109.935 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.03 -32.65 71.1 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.747 -0.596 . . . . 0.39000000000000001 110.08 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -69.97 -45.05 68.22 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.142 -0.974 . . . . 2.5800000000000001 110.712 -178.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -69.98 -28.99 65.98 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.424 -0.797 . . . . 2.1200000000000001 111.091 -176.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.8 -37.79 76.42 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 120.818 -1.176 . . . . 1.3600000000000001 108.69 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.11 -39.97 88.05 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.086 -1.009 . . . . 2.7999999999999998 110.1 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.44 -40.01 85.44 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.801 -1.187 . . . . 0.40000000000000002 110.053 -178.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 59.1 m -69.39 -40.04 77.6 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 120.984 -1.072 . . . . 0.23999999999999999 109.849 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -60.06 -60.72 3.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.752 -1.217 . . . . 0.42999999999999999 109.944 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.32 -32.54 81.2 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 110.353 -1.099 . . . . 0.26000000000000001 110.353 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 35.7 t -70.03 -48.68 56.98 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.984 -1.303 . . . . 0.25 110.135 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.8 mt -70.01 -40.06 75.46 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 119.08 -1.048 . . . . 0.29999999999999999 109.251 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -62.86 -41.26 99.31 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.382 -0.824 . . . . 2.73 110.734 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -70.3 -36.38 74.3 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.988 -1.07 . . . . 1.9099999999999999 110.27 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.642 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 84.7 t90 -60.17 -44.79 94.76 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.548 -1.345 . . . . 0.37 108.225 178.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.422 ' O ' ' N ' ' A' ' 89' ' ' LEU . 44.1 m -61.41 -39.98 92.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.623 -0.673 . . . . 0.35999999999999999 109.763 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -58.59 -31.84 68.42 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.289 -0.882 . . . . 0.55000000000000004 109.435 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.9 -34.12 13.93 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.257 -0.902 . . . . 0.47999999999999998 111.163 -179.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.642 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 86.3 m-85 -109.91 -3.46 16.57 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.216 -0.927 . . . . 1.24 113.108 -176.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 85' ' ' CYS . 19.0 tp . . . . . 0 N--CA 1.503 2.2 0 O-C-N 120.189 -1.569 . . . . 1.6599999999999999 109.192 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.921 0.867 . . . . 5.6600000000000001 109.223 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.05 115.59 22.43 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.415 0.626 . . . . 3.02 110.183 -178.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 73.2 p -60.01 144.5 49.17 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 106.891 -1.522 . . . . 0.95999999999999996 106.891 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 58.7 p -57.26 161.97 2.97 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 120.694 -1.254 . . . . 1.5 109.514 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -56.19 -21.06 20.77 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.758 -0.589 . . . . 2.1800000000000002 110.679 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.69 -39.66 94.68 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.967 -1.083 . . . . 2.0099999999999998 109.811 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -55.72 -51.75 66.27 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.035 -1.041 . . . . 0.48999999999999999 109.732 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 50.0 mtt180 -70.04 -34.1 72.82 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.288 -0.882 . . . . 3.23 110.861 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.07 -37.92 75.59 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.217 -0.927 . . . . 0.76000000000000001 109.12 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -65.94 -44.71 84.26 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.008 -1.058 . . . . 0.46000000000000002 110.532 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 26.7 m -83.84 13.43 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 120.938 -1.101 . . . . 0.44 110.206 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.22 -10.66 13.82 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 121.314 -0.866 . . . . 0.53000000000000003 110.59 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -152.85 152.29 28.08 Favored Pre-proline 0 N--CA 1.497 1.914 0 O-C-N 120.851 -1.155 . . . . 1.27 109.299 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -41.51 159.98 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 122.014 1.809 . . . . 0.48999999999999999 111.894 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.628 ' HE3' HD22 ' B' ' 46' ' ' LEU . 6.3 ptp -91.48 -19.45 22.8 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.994 -1.066 . . . . 0.56000000000000005 109.946 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.41 -140.09 14.48 Favored Glycine 0 N--CA 1.494 2.504 0 O-C-N 120.994 -1.067 . . . . 0.39000000000000001 110.616 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -106.3 31.19 5.34 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.582 -0.952 . . . . 0.83999999999999997 110.291 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -62.36 148.92 88.94 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.093 -1.005 . . . . 2.02 109.368 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.48 154.96 71.34 Favored 'Trans proline' 0 N--CA 1.499 1.819 0 C-N-CA 122.671 2.247 . . . . 0.34000000000000002 113.113 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.455 HG13 ' N ' ' B' ' 21' ' ' GLY . 3.2 p -51.88 -47.51 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.744 -0.597 . . . . 0.32000000000000001 109.532 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.455 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -54.5 -4.16 0.34 Allowed Glycine 0 N--CA 1.489 2.202 0 N-CA-C 110.721 -0.951 . . . . 0.22 110.721 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.445 ' H ' ' C ' ' B' ' 20' ' ' VAL . 3.4 t -82.8 -22.54 34.18 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.694 -1.474 . . . . 1.24 109.647 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 65.7 mt -64.91 139.91 58.81 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.131 -0.981 . . . . 0.23999999999999999 109.564 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.25 136.96 57.24 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-O 121.63 0.728 . . . . 0.20999999999999999 109.954 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.03 -19.99 50.81 Favored Glycine 0 N--CA 1.498 2.77 0 N-CA-C 109.968 -1.253 . . . . 0.22 109.968 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 11.3 mm -100.47 118.34 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.224 -1.162 . . . . 0.25 108.355 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.07 176.42 40.63 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.609 -1.396 . . . . 0.28000000000000003 109.609 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.95 -39.99 83.34 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.485 -1.009 . . . . 2.0 110.64 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 68.6 t -67.16 -43.74 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 120.768 -1.207 . . . . 0.38 109.608 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.65 -39.91 76.81 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.248 -0.908 . . . . 0.40000000000000002 110.366 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -30.68 70.64 Favored Glycine 0 N--CA 1.484 1.838 0 N-CA-C 108.471 -1.852 . . . . 0.35999999999999999 108.471 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 45.9 tttt -69.13 -40.37 78.32 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.652 -0.911 . . . . 2.75 110.625 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -68.15 -42.05 80.67 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.73 -1.231 . . . . 1.5600000000000001 109.452 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.45 -38.36 89.48 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.93 -1.107 . . . . 0.33000000000000002 108.2 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -60.12 -42.06 93.95 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.406 -0.809 . . . . 1.6799999999999999 109.251 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -67.6 -18.24 64.91 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.264 -0.897 . . . . 1.99 108.65 178.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -89.21 -0.01 57.11 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.526 -0.734 . . . . 2.6800000000000002 110.081 -178.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.11 5.06 50.41 Favored Glycine 0 N--CA 1.502 3.049 0 O-C-N 121.068 -1.02 . . . . 0.48999999999999999 110.983 178.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -105.26 74.55 1.11 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.129 -1.218 . . . . 0.33000000000000002 108.222 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 34.3 p-10 -82.31 -11.22 58.75 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 119.778 -0.769 . . . . 0.40999999999999998 110.705 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -132.2 154.97 49.04 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.154 -0.966 . . . . 1.5600000000000001 109.263 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.22 -40.23 93.84 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.38 -0.825 . . . . 0.20999999999999999 112.209 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -60.54 -19.21 56.5 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.456 -1.402 . . . . 0.32000000000000001 111.669 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 44.4 t -78.7 -30.97 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 120.418 -1.426 . . . . 0.23999999999999999 107.59 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 47.5 t -76.44 -39.88 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 N-CA-C 107.911 -1.144 . . . . 0.22 107.911 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.628 HD22 ' HE3' ' B' ' 15' ' ' MET . 14.7 tp -60.06 -39.5 86.22 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 106.91 -1.515 . . . . 0.40000000000000002 106.91 179.11 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.91 -42.03 85.46 Favored Glycine 0 N--CA 1.485 1.918 0 N-CA-C 109.185 -1.566 . . . . 0.17999999999999999 109.185 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -60.29 -43.48 96.23 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.148 -1.207 . . . . 1.0900000000000001 109.273 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -60.09 -39.98 88.01 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.397 -0.964 . . . . 0.31 108.397 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.8 -38.62 83.56 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.835 -0.746 . . . . 0.27000000000000002 109.006 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.46 -27.68 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.222 -0.924 . . . . 0.28000000000000003 110.262 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 94.9 mt -89.17 13.09 14.04 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.95 -1.094 . . . . 0.29999999999999999 110.504 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 89.3 mttt 47.93 37.17 7.07 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.752 -1.217 . . . . 1.71 110.175 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 68.4 mttt 60.29 20.7 10.17 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.463 -0.773 . . . . 2.25 110.964 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -65.54 108.63 2.08 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.297 -1.502 . . . . 1.8 107.052 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -61.86 -40.68 96.19 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.37 -0.831 . . . . 0.88 112.211 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.81 -40.06 76.17 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.799 -1.188 . . . . 0.73999999999999999 109.895 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.89 -39.81 76.03 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 119.188 -1.005 . . . . 0.55000000000000004 109.108 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -64.13 -50.04 69.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.287 -0.883 . . . . 0.38 110.29 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -60.63 -44.04 96.83 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.266 -0.896 . . . . 2.6400000000000001 110.44 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -65.37 -37.28 86.53 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 120.724 -1.235 . . . . 2.3799999999999999 108.265 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 61.3 t90 -62.38 -48.07 81.38 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.92 -1.113 . . . . 0.40000000000000002 111.044 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 61.5 tp -66.71 -46.55 75.18 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.126 -0.984 . . . . 0.34000000000000002 110.197 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.4 tttt -61.78 -50.0 74.11 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.222 -0.924 . . . . 2.1000000000000001 110.778 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -26.63 66.55 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.071 -1.018 . . . . 1.8999999999999999 109.097 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 67.0 m -78.5 -37.04 44.17 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.203 -0.936 . . . . 0.40000000000000002 111.392 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 20.0 p -131.58 -30.05 1.69 Allowed 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.593 -1.317 . . . . 0.39000000000000001 112.134 -177.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.02 15.3 14.85 Favored Glycine 0 N--CA 1.499 2.886 0 N-CA-C 109.11 -1.596 . . . . 0.35999999999999999 109.11 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.04 153.84 2.49 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.068 -1.254 . . . . 0.32000000000000001 109.252 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -90.34 172.72 8.56 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.068 -1.02 . . . . 1.9099999999999999 109.907 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.01 -32.68 71.1 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.764 -0.585 . . . . 0.38 110.11 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -69.88 -45.12 68.37 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.115 -0.991 . . . . 2.5699999999999998 110.67 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -69.96 -29.17 66.23 Favored 'General case' 0 C--N 1.294 -1.805 0 O-C-N 121.417 -0.802 . . . . 2.1200000000000001 111.155 -177.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.68 -37.71 76.76 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 120.771 -1.206 . . . . 1.3600000000000001 108.668 179.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.17 -39.9 88.06 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.05 -1.031 . . . . 2.8100000000000001 110.092 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.54 -39.92 85.02 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 120.844 -1.16 . . . . 0.40000000000000002 110.089 -178.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 59.0 m -69.39 -40.05 77.6 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.01 -1.056 . . . . 0.23000000000000001 109.821 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -60.1 -60.74 3.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.762 -1.211 . . . . 0.42999999999999999 109.945 -178.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.27 -32.56 81.18 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 110.374 -1.09 . . . . 0.25 110.374 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 35.6 t -70.01 -48.71 57.0 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.997 -1.296 . . . . 0.23999999999999999 110.135 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.3 mt -70.03 -39.95 75.46 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 119.047 -1.061 . . . . 0.28999999999999998 109.279 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -62.94 -41.24 99.44 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.423 -0.798 . . . . 2.7400000000000002 110.727 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -70.32 -36.38 74.23 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.984 -1.072 . . . . 1.9099999999999999 110.314 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.64 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 84.5 t90 -60.08 -44.8 94.51 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.506 -1.371 . . . . 0.35999999999999999 108.291 178.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.408 ' O ' ' N ' ' B' ' 89' ' ' LEU . 43.5 m -61.39 -40.04 92.9 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.618 -0.676 . . . . 0.35999999999999999 109.73 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -58.59 -31.86 68.43 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.24 -0.912 . . . . 0.55000000000000004 109.374 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.0 -34.04 13.89 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.272 -0.892 . . . . 0.46999999999999997 111.09 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.64 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 86.4 m-85 -109.89 -3.56 16.53 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.215 -0.928 . . . . 1.24 113.099 -176.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' B' ' 85' ' ' CYS . 18.5 tp . . . . . 0 N--CA 1.503 2.222 0 O-C-N 120.28 -1.513 . . . . 1.6699999999999999 109.237 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.892 0.853 . . . . 5.68 109.085 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.71 115.9 21.84 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.361 0.6 . . . . 3.02 110.009 -178.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.4 p -60.13 145.07 48.19 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 106.912 -1.514 . . . . 0.96 106.912 178.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.5 p -57.69 161.96 3.38 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.719 -1.238 . . . . 1.51 109.474 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -56.15 -21.28 21.75 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.735 -0.603 . . . . 2.18 110.694 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.64 -39.66 94.55 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 120.972 -1.08 . . . . 2.02 109.83 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -55.7 -51.71 66.36 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.028 -1.045 . . . . 0.49 109.694 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.8 mtt180 -70.07 -34.21 72.89 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.347 -0.846 . . . . 3.21 110.789 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.97 -37.96 75.95 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.201 -0.937 . . . . 0.76 109.133 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -65.97 -44.63 84.35 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.145 -0.972 . . . . 0.46 110.525 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.7 m -83.9 13.49 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.994 -1.066 . . . . 0.44 110.197 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.26 -10.61 13.81 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.319 -0.863 . . . . 0.54 110.589 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -152.87 152.32 28.11 Favored Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 120.888 -1.133 . . . . 1.26 109.274 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -41.59 159.98 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.009 1.806 . . . . 0.49 111.906 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.582 ' CE ' HD22 ' A' ' 46' ' ' LEU . 6.3 ptp -91.4 -19.52 22.8 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.035 -1.041 . . . . 0.57 110.013 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.42 -140.05 14.56 Favored Glycine 0 N--CA 1.494 2.525 0 O-C-N 121.043 -1.036 . . . . 0.4 110.586 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -106.33 31.25 5.3 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.579 -0.954 . . . . 0.85 110.271 -178.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -62.33 148.88 88.88 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.08 -1.013 . . . . 2.01 109.362 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -65.55 155.01 71.19 Favored 'Trans proline' 0 N--CA 1.499 1.823 0 C-N-CA 122.604 2.203 . . . . 0.34 113.07 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.459 ' C ' ' H ' ' A' ' 22' ' ' SER . 3.2 p -51.8 -47.64 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.67 -0.643 . . . . 0.32 109.493 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.455 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -54.38 -4.28 0.34 Allowed Glycine 0 N--CA 1.488 2.142 0 O-C-N 121.155 -0.966 . . . . 0.23 110.735 -178.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.459 ' H ' ' C ' ' A' ' 20' ' ' VAL . 3.4 t -82.83 -22.45 34.13 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.705 -1.468 . . . . 1.24 109.63 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.89 139.86 58.81 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.062 -1.024 . . . . 0.24 109.568 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.37 137.06 57.26 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-O 121.677 0.751 . . . . 0.21 109.88 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.98 -19.97 50.98 Favored Glycine 0 N--CA 1.497 2.737 0 N-CA-C 109.977 -1.249 . . . . 0.22 109.977 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.1 mm -100.47 118.34 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.21 -1.17 . . . . 0.25 108.361 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.02 176.42 40.7 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.648 -1.381 . . . . 0.28 109.648 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.99 -39.92 83.27 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.568 -0.96 . . . . 2.01 110.621 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.6 t -67.18 -43.78 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.783 -1.198 . . . . 0.38 109.582 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.6 mt -69.6 -39.98 76.94 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.285 -0.884 . . . . 0.4 110.422 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -30.63 70.46 Favored Glycine 0 N--CA 1.484 1.861 0 N-CA-C 108.407 -1.877 . . . . 0.35 108.407 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -69.09 -40.36 78.44 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.71 -0.877 . . . . 2.74 110.647 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -68.23 -42.04 80.32 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.705 -1.247 . . . . 1.54 109.363 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.8 mt -62.48 -38.35 89.53 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.986 -1.071 . . . . 0.34 108.182 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -60.07 -42.09 93.81 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.391 -0.818 . . . . 1.67 109.253 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -67.53 -18.35 65.0 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.23 -0.919 . . . . 2.0 108.634 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -89.15 -0.08 57.15 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.522 -0.736 . . . . 2.69 110.113 -178.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.13 5.05 50.38 Favored Glycine 0 N--CA 1.502 3.059 0 O-C-N 121.065 -1.022 . . . . 0.48 111.009 178.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -105.21 74.47 1.1 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.035 -1.274 . . . . 0.33 108.219 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.404 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 34.3 p-10 -82.2 -11.28 58.79 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 119.813 -0.755 . . . . 0.41 110.721 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -132.24 154.97 49.09 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 121.155 -0.966 . . . . 1.56 109.287 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.22 -40.27 93.86 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.353 -0.842 . . . . 0.21 112.195 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -60.49 -19.24 56.1 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.411 -1.43 . . . . 0.32 111.653 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.9 t -78.7 -30.96 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 120.415 -1.428 . . . . 0.24 107.594 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.8 t -76.45 -39.91 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 N-CA-C 107.907 -1.146 . . . . 0.22 107.907 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.582 HD22 ' CE ' ' A' ' 15' ' ' MET . 14.7 tp -59.98 -39.6 86.25 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 106.954 -1.498 . . . . 0.4 106.954 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.91 -42.04 85.47 Favored Glycine 0 N--CA 1.484 1.898 0 N-CA-C 109.17 -1.572 . . . . 0.18 109.17 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -60.25 -43.54 96.05 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.103 -1.233 . . . . 1.09 109.256 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -59.97 -39.88 87.16 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.469 -0.937 . . . . 0.31 108.469 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.5 mt -67.95 -38.57 82.97 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.983 -0.747 . . . . 0.28 108.983 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.39 -27.79 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.269 -0.894 . . . . 0.28 110.239 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.2 mt -89.23 13.19 13.91 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.963 -1.086 . . . . 0.31 110.464 -179.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 89.4 mttt 47.84 37.23 6.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.733 -1.23 . . . . 1.7 110.164 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.7 mttt 60.3 20.69 10.17 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.397 -0.815 . . . . 2.24 110.919 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -65.52 108.63 2.07 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.338 -1.476 . . . . 1.8 107.062 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -61.85 -40.6 95.89 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.352 -0.842 . . . . 0.87 112.317 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.95 -39.91 75.75 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.773 -1.204 . . . . 0.73 109.907 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.07 -39.72 75.46 Favored 'General case' 0 C--N 1.293 -1.86 0 C-N-CA 119.107 -1.037 . . . . 0.55 109.073 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -64.09 -50.04 69.86 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.314 -0.866 . . . . 0.38 110.305 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -60.65 -44.03 96.9 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.234 -0.916 . . . . 2.64 110.403 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -65.38 -37.29 86.55 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 120.67 -1.269 . . . . 2.37 108.228 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.411 ' O ' ' OG1' ' A' ' 66' ' ' THR . 61.5 t90 -62.33 -48.15 81.11 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.947 -1.096 . . . . 0.4 111.116 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.8 tp -66.68 -46.57 75.23 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.139 -0.975 . . . . 0.34 110.22 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -61.72 -49.99 74.23 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.277 -0.889 . . . . 2.11 110.737 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.62 -26.48 66.26 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.068 -1.02 . . . . 1.9 109.063 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 66.7 m -78.59 -37.01 43.51 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.151 -0.968 . . . . 0.41 111.385 -178.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 20.0 p -131.52 -30.02 1.71 Allowed 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.614 -1.304 . . . . 0.4 112.154 -177.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.04 15.15 15.12 Favored Glycine 0 N--CA 1.499 2.859 0 N-CA-C 109.083 -1.607 . . . . 0.36 109.083 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.86 153.82 2.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.064 -1.257 . . . . 0.33 109.278 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -90.27 172.71 8.58 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.042 -1.036 . . . . 1.9 109.935 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.03 -32.65 71.1 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.747 -0.596 . . . . 0.39 110.08 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -69.97 -45.05 68.22 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.142 -0.974 . . . . 2.58 110.712 -178.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -69.98 -28.99 65.98 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.424 -0.797 . . . . 2.12 111.091 -176.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.8 -37.79 76.42 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 120.818 -1.176 . . . . 1.36 108.69 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.11 -39.97 88.05 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.086 -1.009 . . . . 2.8 110.1 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.44 -40.01 85.44 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.801 -1.187 . . . . 0.4 110.053 -178.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 59.1 m -69.39 -40.04 77.6 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 120.984 -1.072 . . . . 0.24 109.849 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -60.06 -60.72 3.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.752 -1.217 . . . . 0.43 109.944 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.32 -32.54 81.2 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 110.353 -1.099 . . . . 0.26 110.353 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 35.7 t -70.03 -48.68 56.98 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.984 -1.303 . . . . 0.25 110.135 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.8 mt -70.01 -40.06 75.46 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 119.08 -1.048 . . . . 0.3 109.251 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -62.86 -41.26 99.31 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.382 -0.824 . . . . 2.73 110.734 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -70.3 -36.38 74.3 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.988 -1.07 . . . . 1.91 110.27 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.642 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 84.7 t90 -60.17 -44.79 94.76 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.548 -1.345 . . . . 0.37 108.225 178.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.422 ' O ' ' N ' ' A' ' 89' ' ' LEU . 44.1 m -61.41 -39.98 92.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.623 -0.673 . . . . 0.36 109.763 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -58.59 -31.84 68.42 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.289 -0.882 . . . . 0.55 109.435 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.9 -34.12 13.93 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.257 -0.902 . . . . 0.48 111.163 -179.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.642 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 86.3 m-85 -109.91 -3.46 16.57 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.216 -0.927 . . . . 1.24 113.108 -176.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 85' ' ' CYS . 19.0 tp . . . . . 0 N--CA 1.503 2.2 0 O-C-N 120.189 -1.569 . . . . 1.66 109.192 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.921 0.867 . . . . 5.66 109.223 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.05 115.59 22.43 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.415 0.626 . . . . 3.02 110.183 -178.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 73.2 p -60.01 144.5 49.17 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 106.891 -1.522 . . . . 0.96 106.891 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 58.7 p -57.26 161.97 2.97 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 120.694 -1.254 . . . . 1.5 109.514 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -56.19 -21.06 20.77 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.758 -0.589 . . . . 2.18 110.679 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.69 -39.66 94.68 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.967 -1.083 . . . . 2.01 109.811 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -55.72 -51.75 66.27 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.035 -1.041 . . . . 0.49 109.732 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 50.0 mtt180 -70.04 -34.1 72.82 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.288 -0.882 . . . . 3.23 110.861 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.07 -37.92 75.59 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.217 -0.927 . . . . 0.76 109.12 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -65.94 -44.71 84.26 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.008 -1.058 . . . . 0.46 110.532 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 26.7 m -83.84 13.43 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 120.938 -1.101 . . . . 0.44 110.206 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.22 -10.66 13.82 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 121.314 -0.866 . . . . 0.53 110.59 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -152.85 152.29 28.08 Favored Pre-proline 0 N--CA 1.497 1.914 0 O-C-N 120.851 -1.155 . . . . 1.27 109.299 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -41.51 159.98 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 122.014 1.809 . . . . 0.49 111.894 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.628 ' HE3' HD22 ' B' ' 46' ' ' LEU . 6.3 ptp -91.48 -19.45 22.8 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.994 -1.066 . . . . 0.56 109.946 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.41 -140.09 14.48 Favored Glycine 0 N--CA 1.494 2.504 0 O-C-N 120.994 -1.067 . . . . 0.39 110.616 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -106.3 31.19 5.34 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.582 -0.952 . . . . 0.84 110.291 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -62.36 148.92 88.94 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.093 -1.005 . . . . 2.02 109.368 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.48 154.96 71.34 Favored 'Trans proline' 0 N--CA 1.499 1.819 0 C-N-CA 122.671 2.247 . . . . 0.34 113.113 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.455 HG13 ' N ' ' B' ' 21' ' ' GLY . 3.2 p -51.88 -47.51 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.744 -0.597 . . . . 0.32 109.532 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.455 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -54.5 -4.16 0.34 Allowed Glycine 0 N--CA 1.489 2.202 0 N-CA-C 110.721 -0.951 . . . . 0.22 110.721 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.445 ' H ' ' C ' ' B' ' 20' ' ' VAL . 3.4 t -82.8 -22.54 34.18 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.694 -1.474 . . . . 1.24 109.647 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 65.7 mt -64.91 139.91 58.81 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.131 -0.981 . . . . 0.24 109.564 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.25 136.96 57.24 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-O 121.63 0.728 . . . . 0.21 109.954 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.03 -19.99 50.81 Favored Glycine 0 N--CA 1.498 2.77 0 N-CA-C 109.968 -1.253 . . . . 0.22 109.968 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 11.3 mm -100.47 118.34 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.224 -1.162 . . . . 0.25 108.355 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.07 176.42 40.63 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.609 -1.396 . . . . 0.28 109.609 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.95 -39.99 83.34 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.485 -1.009 . . . . 2.0 110.64 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 68.6 t -67.16 -43.74 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 120.768 -1.207 . . . . 0.38 109.608 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.65 -39.91 76.81 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.248 -0.908 . . . . 0.4 110.366 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -30.68 70.64 Favored Glycine 0 N--CA 1.484 1.838 0 N-CA-C 108.471 -1.852 . . . . 0.36 108.471 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 45.9 tttt -69.13 -40.37 78.32 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.652 -0.911 . . . . 2.75 110.625 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -68.15 -42.05 80.67 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.73 -1.231 . . . . 1.56 109.452 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.45 -38.36 89.48 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.93 -1.107 . . . . 0.33 108.2 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -60.12 -42.06 93.95 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.406 -0.809 . . . . 1.68 109.251 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -67.6 -18.24 64.91 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.264 -0.897 . . . . 1.99 108.65 178.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -89.21 -0.01 57.11 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.526 -0.734 . . . . 2.68 110.081 -178.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.11 5.06 50.41 Favored Glycine 0 N--CA 1.502 3.049 0 O-C-N 121.068 -1.02 . . . . 0.49 110.983 178.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -105.26 74.55 1.11 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.129 -1.218 . . . . 0.33 108.222 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 34.3 p-10 -82.31 -11.22 58.75 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 119.778 -0.769 . . . . 0.41 110.705 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -132.2 154.97 49.04 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.154 -0.966 . . . . 1.56 109.263 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.22 -40.23 93.84 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.38 -0.825 . . . . 0.21 112.209 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -60.54 -19.21 56.5 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.456 -1.402 . . . . 0.32 111.669 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 44.4 t -78.7 -30.97 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 120.418 -1.426 . . . . 0.24 107.59 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 47.5 t -76.44 -39.88 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 N-CA-C 107.911 -1.144 . . . . 0.22 107.911 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.628 HD22 ' HE3' ' B' ' 15' ' ' MET . 14.7 tp -60.06 -39.5 86.22 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 106.91 -1.515 . . . . 0.4 106.91 179.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.91 -42.03 85.46 Favored Glycine 0 N--CA 1.485 1.918 0 N-CA-C 109.185 -1.566 . . . . 0.18 109.185 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -60.29 -43.48 96.23 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.148 -1.207 . . . . 1.09 109.273 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -60.09 -39.98 88.01 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.397 -0.964 . . . . 0.31 108.397 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.8 -38.62 83.56 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.835 -0.746 . . . . 0.27 109.006 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.46 -27.68 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.222 -0.924 . . . . 0.28 110.262 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 94.9 mt -89.17 13.09 14.04 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.95 -1.094 . . . . 0.3 110.504 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 89.3 mttt 47.93 37.17 7.07 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.752 -1.217 . . . . 1.71 110.175 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 68.4 mttt 60.29 20.7 10.17 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.463 -0.773 . . . . 2.25 110.964 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -65.54 108.63 2.08 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.297 -1.502 . . . . 1.8 107.052 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -61.86 -40.68 96.19 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.37 -0.831 . . . . 0.88 112.211 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.81 -40.06 76.17 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.799 -1.188 . . . . 0.74 109.895 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.89 -39.81 76.03 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 119.188 -1.005 . . . . 0.55 109.108 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -64.13 -50.04 69.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.287 -0.883 . . . . 0.38 110.29 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -60.63 -44.04 96.83 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.266 -0.896 . . . . 2.64 110.44 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -65.37 -37.28 86.53 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 120.724 -1.235 . . . . 2.38 108.265 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 61.3 t90 -62.38 -48.07 81.38 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.92 -1.113 . . . . 0.4 111.044 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 61.5 tp -66.71 -46.55 75.18 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.126 -0.984 . . . . 0.34 110.197 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.4 tttt -61.78 -50.0 74.11 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.222 -0.924 . . . . 2.1 110.778 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -26.63 66.55 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.071 -1.018 . . . . 1.9 109.097 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 67.0 m -78.5 -37.04 44.17 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.203 -0.936 . . . . 0.4 111.392 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 20.0 p -131.58 -30.05 1.69 Allowed 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.593 -1.317 . . . . 0.39 112.134 -177.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.02 15.3 14.85 Favored Glycine 0 N--CA 1.499 2.886 0 N-CA-C 109.11 -1.596 . . . . 0.36 109.11 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.04 153.84 2.49 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.068 -1.254 . . . . 0.32 109.252 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -90.34 172.72 8.56 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.068 -1.02 . . . . 1.91 109.907 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.01 -32.68 71.1 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.764 -0.585 . . . . 0.38 110.11 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -69.88 -45.12 68.37 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.115 -0.991 . . . . 2.57 110.67 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -69.96 -29.17 66.23 Favored 'General case' 0 C--N 1.294 -1.805 0 O-C-N 121.417 -0.802 . . . . 2.12 111.155 -177.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.68 -37.71 76.76 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 120.771 -1.206 . . . . 1.36 108.668 179.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.17 -39.9 88.06 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.05 -1.031 . . . . 2.81 110.092 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.54 -39.92 85.02 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 120.844 -1.16 . . . . 0.4 110.089 -178.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 59.0 m -69.39 -40.05 77.6 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.01 -1.056 . . . . 0.23 109.821 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -60.1 -60.74 3.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.762 -1.211 . . . . 0.43 109.945 -178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.27 -32.56 81.18 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 110.374 -1.09 . . . . 0.25 110.374 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 35.6 t -70.01 -48.71 57.0 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.997 -1.296 . . . . 0.24 110.135 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.3 mt -70.03 -39.95 75.46 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 119.047 -1.061 . . . . 0.29 109.279 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -62.94 -41.24 99.44 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.423 -0.798 . . . . 2.74 110.727 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -70.32 -36.38 74.23 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.984 -1.072 . . . . 1.91 110.314 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.64 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 84.5 t90 -60.08 -44.8 94.51 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.506 -1.371 . . . . 0.36 108.291 178.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.408 ' O ' ' N ' ' B' ' 89' ' ' LEU . 43.5 m -61.39 -40.04 92.9 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.618 -0.676 . . . . 0.36 109.73 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -58.59 -31.86 68.43 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.24 -0.912 . . . . 0.55 109.374 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.0 -34.04 13.89 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.272 -0.892 . . . . 0.47 111.09 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.64 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 86.4 m-85 -109.89 -3.56 16.53 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.215 -0.928 . . . . 1.24 113.099 -176.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' B' ' 85' ' ' CYS . 18.5 tp . . . . . 0 N--CA 1.503 2.222 0 O-C-N 120.28 -1.513 . . . . 1.67 109.237 -179.718 . . . . . . . . 1 1 . 1 stop_ save_